#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q9l s PHE 13 N 0.00 2.13 -0.15 4.31 0.40 -1.26 -5.07 117.98 118.34 2q9l s PHE 13 Ca 0.00 -0.69 0.13 0.00 -0.60 0.00 0.00 56.93 55.76 2q9l s PHE 13 Cb 0.00 -1.42 -0.18 0.00 0.51 0.00 0.00 43.02 41.93 2q9l s PHE 13 CO 0.00 -0.24 0.03 -0.40 0.70 0.00 0.00 175.22 175.31 2q9l n ASP 14 N 3.20 1.35 -4.60 1.36 5.75 -1.26 -4.91 116.55 117.44 2q9l n ASP 14 Ca -0.18 -0.01 -0.39 0.00 -0.01 0.00 0.00 54.79 54.19 2q9l n ASP 14 Cb 0.52 0.78 -0.09 0.00 -1.03 0.00 0.00 41.12 41.31 2q9l n ASP 14 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2q9l s TYR 15 N -2.37 3.24 0.18 2.11 5.04 -1.26 -5.01 117.35 119.28 2q9l s TYR 15 Ca -0.09 0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 54.86 2q9l s TYR 15 Cb 0.05 -2.61 0.08 0.00 0.35 0.00 0.00 41.96 39.82 2q9l s TYR 15 CO 0.61 -0.27 1.53 0.00 -1.34 0.00 0.00 175.55 176.08 2q9l h ALA 16 N 8.20 0.70 -0.48 3.97 0.00 -1.99 -2.16 119.26 127.51 2q9l h ALA 16 Ca -0.31 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.21 2q9l h ALA 16 Cb 1.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2q9l h ALA 16 CO 0.66 0.67 0.32 -1.35 0.00 0.00 0.00 179.25 179.55 2q9l h PRO 17 N 0.61 0.37 -0.27 0.00 0.11 -1.97 -0.81 132.00 130.03 2q9l h PRO 17 Ca 0.05 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 2q9l h PRO 17 Cb 0.96 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2q9l h PRO 17 CO 0.09 0.24 -0.37 0.93 -0.21 0.00 0.00 178.00 178.68 2q9l h GLU 18 N 0.38 0.60 -0.08 1.05 5.08 -1.82 0.60 114.58 120.40 2q9l h GLU 18 Ca 0.21 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2q9l h GLU 18 Cb 0.35 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2q9l h GLU 18 CO -0.05 0.88 -0.04 0.37 -1.00 0.00 0.00 179.01 179.17 2q9l h GLN 19 N 0.50 0.16 -0.25 2.33 4.15 -1.24 -2.13 115.11 118.64 2q9l h GLN 19 Ca 0.05 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2q9l h GLN 19 Cb 0.88 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.52 2q9l h GLN 19 CO 0.08 0.53 -0.04 1.03 -1.93 0.00 0.00 178.83 178.50 2q9l h SER 20 N -0.22 -0.17 -0.53 -0.69 0.87 -1.13 -1.91 113.55 109.76 2q9l h SER 20 Ca 0.02 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2q9l h SER 20 Cb 0.49 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 2q9l h SER 20 CO 0.01 -0.06 0.27 -0.33 -0.53 0.00 0.00 176.83 176.20 2q9l h GLU 21 N 0.03 0.51 0.11 2.24 5.08 -0.87 -0.67 114.58 121.01 2q9l h GLU 21 Ca 0.12 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2q9l h GLU 21 Cb 0.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2q9l h GLU 21 CO -0.23 0.34 -0.19 1.25 -1.00 0.00 0.00 179.01 179.18 2q9l h HIS 22 N 0.53 -0.50 -0.53 4.33 2.76 -1.22 -1.44 115.15 119.07 2q9l h HIS 22 Ca 0.24 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2q9l h HIS 22 Cb 0.14 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 2q9l h HIS 22 CO -0.10 -0.28 0.29 1.88 -1.30 0.00 0.00 177.93 178.42 2q9l h TYR 23 N -0.37 0.70 -0.41 5.26 0.05 -1.10 -0.61 116.97 120.49 2q9l h TYR 23 Ca 0.02 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.66 2q9l h TYR 23 Cb 0.39 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2q9l h TYR 23 CO -0.19 0.49 -0.29 0.35 -1.05 0.00 0.00 178.16 177.47 2q9l h PHE 24 N 0.73 1.08 -0.52 4.88 3.57 -0.93 0.40 116.94 126.15 2q9l h PHE 24 Ca 0.19 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2q9l h PHE 24 Cb 0.01 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2q9l h PHE 24 CO 0.00 1.11 0.33 0.74 -2.23 0.00 0.00 178.31 178.26 2q9l h PHE 25 N 0.75 0.67 -0.54 0.41 0.04 -0.75 -2.52 116.94 115.00 2q9l h PHE 25 Ca 0.08 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 2q9l h PHE 25 Cb 0.87 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 2q9l h PHE 25 CO 0.06 0.44 -0.02 0.87 -0.60 0.00 0.00 178.31 179.06 2q9l h LYS 26 N 0.70 0.97 -0.68 1.51 1.79 -1.00 -1.93 116.57 117.94 2q9l h LYS 26 Ca 0.19 -0.32 0.08 0.00 -2.18 0.00 0.00 60.65 58.42 2q9l h LYS 26 Cb -0.05 -0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 30.46 2q9l h LYS 26 CO -0.04 0.99 0.34 1.25 -1.08 0.00 0.00 179.45 180.91 2q9l h LEU 27 N 0.85 0.46 -0.16 2.94 5.85 -0.79 0.20 115.31 124.66 2q9l h LEU 27 Ca 0.15 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2q9l h LEU 27 Cb 0.56 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2q9l h LEU 27 CO 0.03 0.28 -0.18 0.40 -0.34 0.00 0.00 178.44 178.63 2q9l h ILE 28 N 0.60 1.35 -0.74 4.05 1.08 -1.24 -0.85 117.51 121.75 2q9l h ILE 28 Ca 0.33 -1.36 0.16 0.00 -0.39 0.00 0.00 64.86 63.60 2q9l h ILE 28 Cb 0.31 1.88 -0.13 0.00 -3.07 0.00 0.00 36.82 35.80 2q9l h ILE 28 CO -0.24 0.40 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.21 2q9l h GLU 29 N 0.03 0.05 -0.03 2.37 5.08 -1.11 0.14 114.58 121.11 2q9l h GLU 29 Ca 0.02 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2q9l h GLU 29 Cb 0.72 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2q9l h GLU 29 CO 0.04 0.03 -0.59 0.93 -1.00 0.00 0.00 179.01 178.42 2q9l h GLU 30 N 0.05 0.11 -0.33 2.33 4.39 -0.72 -1.80 114.58 118.61 2q9l h GLU 30 Ca 0.38 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 2q9l h GLU 30 Cb 0.64 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2q9l h GLU 30 CO -0.70 0.67 -0.07 0.28 -1.16 0.00 0.00 179.01 178.03 2q9l h VAL 31 N 0.08 1.28 -0.82 3.13 2.07 -0.51 -0.53 116.25 120.95 2q9l h VAL 31 Ca -0.01 -1.11 0.13 0.00 0.82 0.00 0.00 66.70 66.54 2q9l h VAL 31 Cb 1.07 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 32.07 2q9l h VAL 31 CO 0.08 0.36 0.42 1.23 0.02 0.00 0.00 177.57 179.69 2q9l h GLY 32 N 0.41 1.30 1.47 2.17 0.00 -0.80 -0.91 103.07 106.71 2q9l h GLY 32 Ca 0.09 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 2q9l h GLY 32 CO 0.03 0.01 -0.48 0.83 0.00 0.00 0.00 176.54 176.92 2q9l h GLU 33 N 0.64 0.57 -0.69 4.80 5.08 -1.00 -2.65 114.58 121.33 2q9l h GLU 33 Ca 0.43 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2q9l h GLU 33 Cb 0.55 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2q9l h GLU 33 CO -0.33 0.93 0.20 1.25 -1.00 0.00 0.00 179.01 180.06 2q9l h LEU 34 N 0.45 1.00 -0.62 1.33 5.85 -0.67 -1.87 115.31 120.78 2q9l h LEU 34 Ca 0.02 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2q9l h LEU 34 Cb 1.01 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2q9l h LEU 34 CO 0.09 0.94 0.37 -1.28 -0.34 0.00 0.00 178.44 178.23 2q9l h SER 35 N 1.02 0.59 -0.73 1.25 0.87 -1.00 -1.38 113.55 114.18 2q9l h SER 35 Ca 0.22 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2q9l h SER 35 Cb 0.31 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2q9l h SER 35 CO -0.00 0.41 0.27 -0.08 -0.53 0.00 0.00 176.83 176.90 2q9l h GLU 36 N 0.72 1.12 -0.01 2.24 4.81 -1.17 -1.58 114.58 120.72 2q9l h GLU 36 Ca 0.26 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2q9l h GLU 36 Cb 0.06 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2q9l h GLU 36 CO -0.12 0.93 -0.62 0.66 -0.73 0.00 0.00 179.01 179.13 2q9l h SER 37 N 1.09 0.03 -0.04 1.04 4.64 -0.85 -2.24 113.55 117.22 2q9l h SER 37 Ca 0.25 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 2q9l h SER 37 Cb 0.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2q9l h SER 37 CO -0.02 0.64 -0.31 0.40 -0.87 0.00 0.00 176.83 176.68 2q9l h ILE 38 N 0.02 1.46 -0.85 0.95 2.04 -1.18 -0.81 117.51 119.13 2q9l h ILE 38 Ca -0.01 -1.79 0.14 0.00 1.00 0.00 0.00 64.86 64.21 2q9l h ILE 38 Cb 1.10 2.46 -0.06 0.00 -0.74 0.00 0.00 36.82 39.58 2q9l h ILE 38 CO 0.08 0.51 0.55 -0.09 0.00 0.00 0.00 178.15 179.20 2q9l h ARG 39 N -0.26 0.60 -0.01 2.37 2.43 -1.19 -0.75 114.38 117.57 2q9l h ARG 39 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2q9l h ARG 39 Cb 0.99 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2q9l h ARG 39 CO 0.06 0.40 -0.18 1.63 -1.51 0.00 0.00 179.97 180.37 2q9l n LYS 40 N -4.54 0.80 -2.38 0.20 5.02 -0.85 -4.96 118.16 111.46 2q9l n LYS 40 Ca 0.16 -0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 55.95 2q9l n LYS 40 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.31 -0.04 2.19 0.72 0.00 -0.29 -4.91 105.19 104.16 2q9l n GLY 41 Ca 0.13 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.23 2.47 -2.07 1.61 5.02 -0.35 -4.92 118.16 117.70 2q9l n LYS 42 Ca -0.11 -1.62 -0.28 0.00 -2.02 0.00 0.00 58.31 54.28 2q9l n LYS 42 Cb 0.59 -2.17 0.14 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.53 3.75 0.00 4.39 0.01 -1.26 -1.14 113.70 120.97 2q9l s SER 43 Ca 0.65 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2q9l s SER 43 Cb 0.31 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2q9l s SER 43 CO -0.07 -2.32 0.00 0.61 0.41 0.00 0.00 173.24 171.88 2q9l n GLY 44 N -3.43 -3.16 3.49 3.44 0.00 -1.26 -4.85 105.19 99.41 2q9l n GLY 44 Ca 0.13 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.92 3.20 0.47 1.61 2.00 -1.26 -4.51 119.66 120.26 2q9l s GLN 45 Ca 0.00 -0.75 -0.17 0.00 -2.00 0.00 0.00 55.36 52.44 2q9l s GLN 45 Cb 0.00 -3.92 -0.09 0.00 0.80 0.00 0.00 33.01 29.81 2q9l s GLN 45 CO 0.00 -0.70 0.94 -1.25 -0.50 0.00 0.00 175.29 173.78 2q9l s PRO 46 N 1.92 4.01 0.00 1.67 0.04 -1.26 -5.09 135.00 136.29 2q9l s PRO 46 Ca 0.09 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2q9l s PRO 46 Cb -0.18 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2q9l s PRO 46 CO 0.12 -0.17 0.00 0.25 0.04 0.00 0.00 177.00 177.24 2q9l n THR 47 N -1.25 0.00 0.11 1.26 -2.24 -1.26 -4.85 114.28 106.04 2q9l n THR 47 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2q9l n THR 47 Cb 0.54 -1.41 0.06 0.00 -2.10 0.00 0.00 70.33 67.41 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 0.00 -0.28 3.22 5.85 -2.01 -2.98 115.31 119.11 2q9l h LEU 48 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2q9l h LEU 48 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2q9l h LEU 48 CO 0.00 0.76 0.00 -2.24 -0.34 0.00 0.00 178.44 176.62 2q9l h ASP 49 N 0.00 0.00 -0.09 1.25 3.04 -2.02 -3.16 116.42 115.44 2q9l h ASP 49 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2q9l h ASP 49 Cb 1.37 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.66 2q9l h ASP 49 CO 0.10 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.68 2q9l n GLU 50 N -2.40 1.25 -0.06 4.15 1.02 -1.15 -4.67 120.64 118.78 2q9l n GLU 50 Ca 0.04 -1.47 -0.15 0.00 -0.02 0.00 0.00 57.16 55.56 2q9l n GLU 50 Cb 0.38 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 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 2.67 0.74 -9.29 -4.62 5.85 -1.49 -3.38 115.31 105.80 2q9l h LEU 51 Ca 0.00 -0.55 -0.54 0.00 0.84 0.00 0.00 57.88 57.62 2q9l h LEU 51 Cb 0.61 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.44 2q9l h LEU 51 CO 0.00 1.16 1.23 -0.75 -0.34 0.00 0.00 178.44 179.74 2q9l s LYS 52 N -4.03 4.03 0.00 1.25 2.20 -1.26 -1.91 119.74 120.02 2q9l s LYS 52 Ca -0.12 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 2q9l s LYS 52 Cb 0.08 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2q9l s LYS 52 CO 0.84 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 2q9l n GLY 53 N 4.60 0.93 3.83 5.54 0.00 -1.26 -5.05 105.19 113.77 2q9l n GLY 53 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.02 6.06 0.22 1.61 1.04 -0.80 -4.61 113.70 114.20 2q9l s SER 54 Ca 0.00 1.66 -0.08 0.00 0.48 0.00 0.00 55.95 58.02 2q9l s SER 54 Cb 0.00 -2.51 0.29 0.00 0.10 0.00 0.00 66.02 63.90 2q9l s SER 54 CO 0.00 -0.98 1.81 0.58 0.98 0.00 0.00 173.24 175.63 2q9l h VAL 55 N 0.36 0.94 -0.53 5.02 2.07 -1.38 -2.56 116.25 120.17 2q9l h VAL 55 Ca -0.46 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 66.91 2q9l h VAL 55 Cb 1.20 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 2q9l h VAL 55 CO 0.59 0.13 -0.33 0.00 0.02 0.00 0.00 177.57 177.98 2q9l h ALA 56 N 1.39 -0.08 -0.42 1.67 0.00 -1.79 -0.52 119.26 119.51 2q9l h ALA 56 Ca 0.33 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.40 2q9l h ALA 56 Cb 0.25 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2q9l h ALA 56 CO -0.21 -0.69 0.25 1.49 0.00 0.00 0.00 179.25 180.10 2q9l h GLU 57 N -0.19 0.50 -0.28 0.00 4.81 -1.68 -1.87 114.58 115.87 2q9l h GLU 57 Ca 0.21 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 2q9l h GLU 57 Cb 0.54 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2q9l h GLU 57 CO -0.63 0.33 -0.50 0.93 -0.73 0.00 0.00 179.01 178.41 2q9l h GLU 58 N 0.52 0.78 -0.01 1.92 4.39 -1.20 -0.58 114.58 120.38 2q9l h GLU 58 Ca 0.16 -0.46 0.02 0.00 0.34 0.00 0.00 59.36 59.42 2q9l h GLU 58 Cb -0.01 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2q9l h GLU 58 CO -0.07 1.09 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.70 2q9l h LEU 59 N 0.61 -0.30 -0.74 1.33 3.38 -0.98 0.15 115.31 118.77 2q9l h LEU 59 Ca 0.03 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2q9l h LEU 59 Cb 1.08 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2q9l h LEU 59 CO 0.11 -0.15 0.43 0.22 0.09 0.00 0.00 178.44 179.14 2q9l h TYR 60 N -0.17 0.79 -0.10 1.13 3.20 -1.23 0.60 116.97 121.19 2q9l h TYR 60 Ca 0.04 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2q9l h TYR 60 Cb 0.22 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2q9l h TYR 60 CO -0.17 0.39 0.05 -0.44 -1.64 0.00 0.00 178.16 176.34 2q9l h ASP 61 N 0.79 0.14 -0.34 -2.11 3.32 -0.70 0.22 116.42 117.74 2q9l h ASP 61 Ca 0.33 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.30 2q9l h ASP 61 Cb 0.18 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2q9l h ASP 61 CO -0.18 0.23 -0.00 0.58 -1.72 0.00 0.00 179.24 178.15 2q9l h VAL 62 N 0.03 0.74 -1.00 -1.35 2.07 -0.54 -2.48 116.25 113.73 2q9l h VAL 62 Ca 0.04 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.67 2q9l h VAL 62 Cb 0.13 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 2q9l h VAL 62 CO -0.00 0.02 0.63 0.25 0.02 0.00 0.00 177.57 178.48 2q9l h LEU 63 N 0.09 0.88 -0.29 2.57 5.85 -0.41 -2.04 115.31 121.96 2q9l h LEU 63 Ca 0.17 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2q9l h LEU 63 Cb 0.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2q9l h LEU 63 CO -0.28 0.43 0.14 0.22 -0.34 0.00 0.00 178.44 178.61 2q9l h TYR 64 N 0.92 0.42 -0.02 1.25 3.20 -0.12 -2.27 116.97 120.35 2q9l h TYR 64 Ca 0.52 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.23 2q9l h TYR 64 Cb 0.62 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2q9l h TYR 64 CO -0.00 0.38 -0.64 1.88 -1.64 0.00 0.00 178.16 178.13 2q9l h TYR 65 N 0.34 0.12 -0.36 -3.82 -1.99 -1.22 -0.72 116.97 109.32 2q9l h TYR 65 Ca 0.10 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.83 2q9l h TYR 65 Cb 0.11 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.78 2q9l h TYR 65 CO -0.02 0.70 0.11 0.28 -0.00 0.00 0.00 178.16 179.24 2q9l h VAL 66 N 0.06 0.88 -0.36 -2.88 2.07 -1.21 0.19 116.25 115.01 2q9l h VAL 66 Ca -0.01 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 2q9l h VAL 66 Cb 1.14 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2q9l h VAL 66 CO 0.09 0.05 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 2q9l h ALA 68 N 0.84 0.64 -0.11 0.00 0.00 -0.93 -0.94 119.26 118.75 2q9l h ALA 68 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2q9l h ALA 68 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2q9l h ALA 68 CO 0.03 0.26 -0.08 -0.07 0.00 0.00 0.00 179.25 179.38 2q9l h LEU 69 N 0.66 0.15 -0.54 0.00 3.38 -0.53 -2.49 115.31 115.95 2q9l h LEU 69 Ca 0.16 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2q9l h LEU 69 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2q9l h LEU 69 CO -0.01 0.27 -0.48 0.00 0.09 0.00 0.00 178.44 178.30 2q9l h ALA 70 N 1.76 0.72 -0.17 1.53 0.00 -0.02 -2.60 119.26 120.47 2q9l h ALA 70 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2q9l h ALA 70 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2q9l h ALA 70 CO 0.01 0.67 0.05 -0.91 0.00 0.00 0.00 179.25 179.07 2q9l h ASN 71 N 0.50 0.25 1.02 0.00 2.35 -0.89 0.19 115.58 119.00 2q9l h ASN 71 Ca 0.03 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2q9l h ASN 71 Cb 1.02 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2q9l h ASN 71 CO 0.10 0.39 -0.27 -0.29 -1.65 0.00 0.00 177.43 175.71 2q9l h ILE 72 N 0.09 0.60 -0.15 2.81 6.09 -1.49 -2.98 117.51 122.48 2q9l h ILE 72 Ca 0.05 -1.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.25 2q9l h ILE 72 Cb 0.24 1.87 0.00 0.00 0.47 0.00 0.00 36.82 39.40 2q9l h ILE 72 CO -0.00 0.26 0.00 1.41 -3.07 0.00 0.00 178.15 176.75 2q9l n HIS 73 N -3.37 0.17 -2.10 2.19 8.25 -0.98 -4.95 115.22 114.43 2q9l n HIS 73 Ca 0.00 -0.09 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 2q9l n HIS 73 Cb 0.48 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 1.26 0.14 3.71 -1.41 0.00 -0.92 -5.01 105.19 102.96 2q9l n GLY 74 Ca 0.17 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.28 5.28 -0.38 1.61 1.01 0.62 -5.04 120.40 121.22 2q9l s VAL 75 Ca 0.00 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 2q9l s VAL 75 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2q9l s VAL 75 CO 0.00 0.35 0.37 0.21 0.00 0.00 0.00 175.10 176.04 2q9l s ASN 76 N 0.63 6.17 0.29 3.32 3.84 -1.26 -4.49 114.94 123.43 2q9l s ASN 76 Ca 0.18 -0.47 0.12 0.00 0.21 0.00 0.00 52.86 52.90 2q9l s ASN 76 Cb -0.14 -2.20 0.39 0.00 -0.55 0.00 0.00 41.25 38.75 2q9l s ASN 76 CO 0.05 -0.43 1.61 -0.07 -2.79 0.00 0.00 177.10 175.48 2q9l h LEU 77 N 8.83 0.00 -0.06 3.21 3.38 -1.97 -1.91 115.31 126.79 2q9l h LEU 77 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2q9l h LEU 77 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2q9l h LEU 77 CO 0.73 0.58 -0.01 -0.33 0.09 0.00 0.00 178.44 179.50 2q9l h GLU 78 N 0.00 0.11 -0.34 1.13 3.07 -1.99 -1.22 114.58 115.34 2q9l h GLU 78 Ca -0.01 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 2q9l h GLU 78 Cb 1.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 2q9l h GLU 78 CO 0.08 0.41 -0.17 -0.22 -1.40 0.00 0.00 179.01 177.71 2q9l h LYS 79 N -0.20 0.61 -0.30 2.33 1.63 -1.99 -2.09 116.57 116.55 2q9l h LYS 79 Ca 0.02 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.56 2q9l h LYS 79 Cb 0.37 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2q9l h LYS 79 CO 0.00 0.75 0.02 1.15 -3.45 0.00 0.00 179.45 177.93 2q9l h THR 80 N 0.55 1.25 -0.34 1.00 2.02 -1.32 -0.53 112.91 115.54 2q9l h THR 80 Ca 0.09 -0.89 0.06 0.00 0.77 0.00 0.00 66.41 66.44 2q9l h THR 80 Cb 0.61 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 2q9l h THR 80 CO 0.04 0.29 -0.03 -0.74 0.37 0.00 0.00 175.52 175.45 2q9l h HIS 81 N 0.33 -0.08 -0.66 3.16 -0.00 -1.11 -0.50 115.15 116.29 2q9l h HIS 81 Ca 0.09 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 2q9l h HIS 81 Cb 0.40 0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.86 2q9l h HIS 81 CO 0.03 -0.09 0.41 0.93 -0.00 0.00 0.00 177.93 179.21 2q9l h GLU 82 N 0.06 0.79 -0.86 5.26 5.08 -1.19 -1.50 114.58 122.23 2q9l h GLU 82 Ca 0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2q9l h GLU 82 Cb 0.24 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2q9l h GLU 82 CO -0.30 0.53 0.44 -0.07 -1.00 0.00 0.00 179.01 178.60 2q9l h LEU 83 N 0.82 1.09 -0.53 1.33 3.38 -0.60 -2.65 115.31 118.15 2q9l h LEU 83 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2q9l h LEU 83 Cb -0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2q9l h LEU 83 CO -0.10 0.90 0.30 0.11 0.09 0.00 0.00 178.44 179.74 2q9l h LYS 84 N 1.21 0.73 -1.00 1.13 1.79 -0.71 -2.17 116.57 117.56 2q9l h LYS 84 Ca 0.30 -0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.78 2q9l h LYS 84 Cb 0.07 -0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 30.50 2q9l h LYS 84 CO -0.04 0.56 0.64 0.93 -1.08 0.00 0.00 179.45 180.46 2q9l h GLU 85 N 0.71 1.06 -0.21 3.15 5.08 -1.12 -0.03 114.58 123.22 2q9l h GLU 85 Ca 0.19 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2q9l h GLU 85 Cb 0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2q9l h GLU 85 CO -0.03 0.70 0.04 0.28 -1.00 0.00 0.00 179.01 178.99 2q9l h VAL 86 N 1.09 1.22 -0.25 3.13 2.07 -1.17 -2.21 116.25 120.13 2q9l h VAL 86 Ca 0.46 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2q9l h VAL 86 Cb 0.32 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2q9l h VAL 86 CO -0.21 0.23 0.03 -0.07 0.02 0.00 0.00 177.57 177.56 2q9l h LEU 87 N 0.15 -0.04 -0.80 2.57 3.38 -0.98 -2.20 115.31 117.39 2q9l h LEU 87 Ca 0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2q9l h LEU 87 Cb 0.32 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2q9l h LEU 87 CO 0.00 0.01 0.40 0.78 0.09 0.00 0.00 178.44 179.73 2q9l h ASN 88 N 0.12 1.03 -0.23 -0.43 2.35 -0.96 -1.49 115.58 115.97 2q9l h ASN 88 Ca 0.12 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2q9l h ASN 88 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2q9l h ASN 88 CO -0.17 0.86 0.03 0.11 -1.65 0.00 0.00 177.43 176.61 2q9l h LYS 89 N 1.12 0.49 0.00 0.81 1.57 -1.29 -3.51 116.57 115.76 2q9l h LYS 89 Ca 0.28 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2q9l h LYS 89 Cb 0.09 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2q9l h LYS 89 CO -0.04 0.50 0.00 0.28 -0.57 0.00 0.00 179.45 179.62