#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bl8 h ALA 5 N 0.00 0.62 -0.82 5.20 0.00 -2.00 -2.31 119.26 119.96 2bl8 h ALA 5 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2bl8 h ALA 5 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2bl8 h ALA 5 CO 0.00 0.12 0.50 -0.22 0.00 0.00 0.00 179.25 179.65 2bl8 h LYS 6 N 0.64 0.89 -0.48 0.00 3.64 -1.98 -0.93 116.57 118.35 2bl8 h LYS 6 Ca 0.17 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2bl8 h LYS 6 Cb 0.01 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 2bl8 h LYS 6 CO -0.03 0.59 0.13 1.96 -2.27 0.00 0.00 179.45 179.83 2bl8 h GLN 7 N 0.92 0.77 -0.45 1.90 4.20 -1.92 -1.42 115.11 119.10 2bl8 h GLN 7 Ca 0.36 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 2bl8 h GLN 7 Cb 0.16 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2bl8 h GLN 7 CO -0.17 0.74 0.08 0.82 -0.67 0.00 0.00 178.83 179.62 2bl8 h ILE 8 N 0.65 1.24 -0.78 2.54 2.04 -0.99 -0.74 117.51 121.48 2bl8 h ILE 8 Ca 0.15 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2bl8 h ILE 8 Cb 0.31 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2bl8 h ILE 8 CO -0.00 0.31 0.39 0.58 0.00 0.00 0.00 178.15 179.44 2bl8 h VAL 9 N 0.60 1.24 -0.23 1.67 2.07 -1.09 -0.00 116.25 120.51 2bl8 h VAL 9 Ca 0.14 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2bl8 h VAL 9 Cb 0.38 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2bl8 h VAL 9 CO 0.01 0.28 0.13 -0.74 0.02 0.00 0.00 177.57 177.27 2bl8 h HIS 10 N 1.09 0.31 -0.72 1.57 6.17 -0.98 -0.38 115.15 122.22 2bl8 h HIS 10 Ca 0.27 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.30 2bl8 h HIS 10 Cb 0.09 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 2bl8 h HIS 10 CO 0.01 0.25 0.24 0.93 0.71 0.00 0.00 177.93 180.07 2bl8 h GLU 11 N 0.27 1.09 -0.54 5.26 5.08 -0.76 -1.15 114.58 123.83 2bl8 h GLU 11 Ca 0.08 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2bl8 h GLU 11 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2bl8 h GLU 11 CO -0.01 0.91 -0.12 1.25 -1.00 0.00 0.00 179.01 180.04 2bl8 h LEU 12 N 1.05 1.03 -0.27 1.33 5.85 -0.72 -1.99 115.31 121.60 2bl8 h LEU 12 Ca 0.23 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2bl8 h LEU 12 Cb 0.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2bl8 h LEU 12 CO -0.01 1.14 0.10 0.22 -0.34 0.00 0.00 178.44 179.55 2bl8 h TYR 13 N 0.91 0.41 -0.47 1.25 3.20 -0.77 -1.93 116.97 119.58 2bl8 h TYR 13 Ca 0.14 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2bl8 h TYR 13 Cb 0.69 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2bl8 h TYR 13 CO 0.05 0.43 0.24 -0.91 -1.64 0.00 0.00 178.16 176.33 2bl8 h ASN 14 N 0.27 0.36 -0.56 -2.11 2.35 -1.09 0.11 115.58 114.90 2bl8 h ASN 14 Ca 0.09 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2bl8 h ASN 14 Cb 0.20 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2bl8 h ASN 14 CO -0.01 0.25 0.03 -0.78 -1.65 0.00 0.00 177.43 175.28 2bl8 h ASP 15 N 0.48 0.95 0.65 5.81 3.58 -1.25 -3.06 116.42 123.57 2bl8 h ASP 15 Ca 0.20 -0.29 -0.17 0.00 0.42 0.00 0.00 57.03 57.19 2bl8 h ASP 15 Cb 0.09 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2bl8 h ASP 15 CO -0.13 1.01 -0.77 0.40 -2.88 0.00 0.00 179.24 176.87 2bl8 h ILE 16 N 0.86 1.50 0.00 2.25 2.04 -1.12 -3.18 117.51 119.87 2bl8 h ILE 16 Ca 0.16 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2bl8 h ILE 16 Cb 0.50 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2bl8 h ILE 16 CO 0.02 0.72 0.00 -1.54 0.00 0.00 0.00 178.15 177.35 2bl8 n SER 17 N -3.68 0.00 0.12 1.72 3.41 0.34 -1.62 113.62 113.92 2bl8 n SER 17 Ca -0.02 0.32 -0.02 0.00 -0.26 0.00 0.00 58.87 58.89 2bl8 n SER 17 Cb 0.74 -0.33 0.18 0.00 -0.26 0.00 0.00 64.21 64.54 2bl8 n SER 17 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2bl8 h ILE 18 N 0.00 1.39 -3.32 -1.33 2.04 -1.64 -3.44 117.51 111.22 2bl8 h ILE 18 Ca 0.00 -1.91 -0.56 0.00 1.00 0.00 0.00 64.86 63.39 2bl8 h ILE 18 Cb 0.02 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2bl8 h ILE 18 CO 0.00 0.55 -0.04 -0.55 0.00 0.00 0.00 178.15 178.12 2bl8 s SER 19 N -6.88 6.96 0.00 1.72 0.15 -0.64 -4.97 113.70 110.04 2bl8 s SER 19 Ca -0.03 1.20 0.17 0.00 0.70 0.00 0.00 55.95 58.00 2bl8 s SER 19 Cb 0.13 -2.34 0.23 0.00 -1.71 0.00 0.00 66.02 62.34 2bl8 s SER 19 CO 0.77 0.17 1.15 0.29 1.20 0.00 0.00 173.24 176.81 2bl8 n LYS 20 N 1.17 1.81 -1.84 5.44 4.76 -1.26 -4.99 118.16 123.25 2bl8 n LYS 20 Ca -0.07 -1.77 -0.42 0.00 -2.87 0.00 0.00 58.31 53.18 2bl8 n LYS 20 Cb 0.51 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 2bl8 n LYS 20 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bl8 s ASP 21 N -1.33 6.50 0.66 4.39 -1.08 -1.26 -4.88 116.67 119.68 2bl8 s ASP 21 Ca 0.25 2.70 0.35 0.00 -0.52 0.00 0.00 52.55 55.33 2bl8 s ASP 21 Cb 0.16 -2.59 1.92 0.00 -1.46 0.00 0.00 42.92 40.95 2bl8 s ASP 21 CO 0.23 -0.90 2.10 -0.65 0.52 0.00 0.00 175.17 176.47 2bl8 h PRO 22 N 7.14 0.00 0.00 4.34 0.11 -2.01 -1.86 132.00 139.71 2bl8 h PRO 22 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2bl8 h PRO 22 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bl8 h PRO 22 CO 0.93 0.00 -0.03 0.87 -0.21 0.00 0.00 178.00 179.57 2bl8 h LYS 23 N 0.00 0.00 -0.02 1.05 1.57 -1.97 -1.97 116.57 115.23 2bl8 h LYS 23 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2bl8 h LYS 23 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2bl8 h LYS 23 CO -0.00 0.03 -0.22 0.66 -0.57 0.00 0.00 179.45 179.34 2bl8 n TYR 24 N -3.71 0.00 -0.00 -1.35 4.01 -0.70 -4.65 117.16 110.76 2bl8 n TYR 24 Ca -0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.62 2bl8 n TYR 24 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2bl8 n TYR 24 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2bl8 h SER 25 N 3.19 -0.68 -0.63 7.72 0.02 -1.45 0.26 113.55 121.98 2bl8 h SER 25 Ca 0.00 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2bl8 h SER 25 Cb 0.79 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2bl8 h SER 25 CO 0.00 -0.27 0.13 0.44 -1.14 0.00 0.00 176.83 175.99 2bl8 h ASP 26 N -0.27 0.98 -0.85 3.07 3.32 -1.83 -1.31 116.42 119.53 2bl8 h ASP 26 Ca 0.10 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2bl8 h ASP 26 Cb 0.43 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2bl8 h ASP 26 CO -0.30 0.98 0.54 0.40 -1.72 0.00 0.00 179.24 179.14 2bl8 h ILE 27 N 0.94 1.22 -0.54 0.35 2.04 -1.76 0.76 117.51 120.53 2bl8 h ILE 27 Ca 0.20 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 2bl8 h ILE 27 Cb 0.40 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2bl8 h ILE 27 CO 0.01 0.22 0.05 -0.07 0.00 0.00 0.00 178.15 178.36 2bl8 h LEU 28 N 1.15 0.89 -0.37 1.44 3.38 -0.70 -0.53 115.31 120.56 2bl8 h LEU 28 Ca 0.31 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2bl8 h LEU 28 Cb -0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2bl8 h LEU 28 CO -0.06 0.95 0.22 -0.08 0.09 0.00 0.00 178.44 179.56 2bl8 h GLU 29 N 0.81 0.44 -0.32 1.13 4.81 -0.57 -0.64 114.58 120.22 2bl8 h GLU 29 Ca 0.16 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2bl8 h GLU 29 Cb 0.46 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2bl8 h GLU 29 CO 0.02 0.29 -0.01 0.28 -0.73 0.00 0.00 179.01 178.86 2bl8 h VAL 30 N 0.45 1.26 -0.90 0.32 2.07 -0.73 -1.39 116.25 117.33 2bl8 h VAL 30 Ca 0.15 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2bl8 h VAL 30 Cb -0.00 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2bl8 h VAL 30 CO -0.07 0.32 0.59 -0.07 0.02 0.00 0.00 177.57 178.36 2bl8 h LEU 31 N 0.38 1.04 -0.37 2.57 3.38 -0.87 0.45 115.31 121.89 2bl8 h LEU 31 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2bl8 h LEU 31 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2bl8 h LEU 31 CO 0.02 0.76 0.18 -0.61 0.09 0.00 0.00 178.44 178.88 2bl8 h GLN 32 N 1.23 0.52 -0.41 1.13 4.15 -0.97 -0.07 115.11 120.68 2bl8 h GLN 32 Ca 0.33 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 2bl8 h GLN 32 Cb -0.13 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 2bl8 h GLN 32 CO -0.07 0.46 0.02 0.87 -1.93 0.00 0.00 178.83 178.18 2bl8 h LYS 33 N 0.45 0.66 -0.30 1.69 1.57 -0.60 -0.74 116.57 119.29 2bl8 h LYS 33 Ca 0.13 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2bl8 h LYS 33 Cb 0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2bl8 h LYS 33 CO -0.02 0.66 -0.38 0.28 -0.57 0.00 0.00 179.45 179.43 2bl8 h VAL 34 N 0.62 1.29 -0.15 0.50 2.07 -0.68 -2.39 116.25 117.51 2bl8 h VAL 34 Ca 0.13 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 2bl8 h VAL 34 Cb 0.37 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2bl8 h VAL 34 CO 0.01 0.51 0.09 0.22 0.02 0.00 0.00 177.57 178.42 2bl8 h TYR 35 N 0.56 0.20 -0.53 1.57 3.20 -0.59 0.45 116.97 121.83 2bl8 h TYR 35 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2bl8 h TYR 35 Cb 0.97 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2bl8 h TYR 35 CO 0.07 0.18 0.33 -0.07 -1.64 0.00 0.00 178.16 177.04 2bl8 h LEU 36 N 0.17 0.62 -0.23 2.82 3.38 -1.17 -1.25 115.31 119.65 2bl8 h LEU 36 Ca 0.06 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2bl8 h LEU 36 Cb 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2bl8 h LEU 36 CO -0.01 0.47 -0.15 0.50 0.09 0.00 0.00 178.44 179.34 2bl8 h LYS 37 N 0.73 0.51 0.00 1.13 3.64 -0.91 -2.91 116.57 118.76 2bl8 h LYS 37 Ca 0.19 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2bl8 h LYS 37 Cb -0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2bl8 h LYS 37 CO -0.04 0.80 0.00 1.28 -2.27 0.00 0.00 179.45 179.22 2bl8 n LEU 38 N -4.47 0.34 0.07 5.20 4.77 0.10 -1.80 117.00 121.22 2bl8 n LEU 38 Ca -0.04 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 2bl8 n LEU 38 Cb 0.37 -0.58 0.47 0.00 -2.33 0.00 0.00 43.42 41.35 2bl8 n LEU 38 CO 0.41 -0.51 0.90 -0.62 -1.33 0.00 0.00 177.39 176.24 2bl8 n GLU 39 N -1.90 0.18 -3.21 3.23 1.02 -0.55 -4.71 120.64 114.71 2bl8 n GLU 39 Ca 0.02 0.15 -0.39 0.00 -0.02 0.00 0.00 57.16 56.91 2bl8 n GLU 39 Cb 0.15 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 2bl8 n GLU 39 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2bl8 s LYS 40 N -3.07 4.28 0.30 3.49 1.02 -0.75 -4.96 119.74 120.05 2bl8 s LYS 40 Ca 0.12 0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.70 2bl8 s LYS 40 Cb 0.14 -3.51 0.76 0.00 -0.52 0.00 0.00 37.83 34.71 2bl8 s LYS 40 CO 0.58 -0.04 1.74 0.37 -0.92 0.00 0.00 175.35 177.08 2bl8 h GLN 41 N 7.14 0.59 -0.90 1.68 5.75 -1.86 -0.22 115.11 127.28 2bl8 h GLN 41 Ca -0.36 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.24 2bl8 h GLN 41 Cb 1.16 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 2bl8 h GLN 41 CO 0.76 0.39 0.58 -0.22 -2.65 0.00 0.00 178.83 177.69 2bl8 h LYS 42 N 0.61 0.71 -0.68 1.69 3.64 -1.93 -0.64 116.57 119.99 2bl8 h LYS 42 Ca 0.59 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2bl8 h LYS 42 Cb 1.02 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2bl8 h LYS 42 CO -0.44 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 177.87 2bl8 n TYR 43 N -4.57 1.41 0.30 1.91 4.01 -0.10 -3.61 117.16 116.52 2bl8 n TYR 43 Ca 0.18 -0.50 0.07 0.00 -0.16 0.00 0.00 57.90 57.48 2bl8 n TYR 43 Cb 0.45 -0.35 0.10 0.00 -0.31 0.00 0.00 39.34 39.23 2bl8 n TYR 43 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2bl8 n GLU 44 N 0.54 1.52 0.28 -0.72 -0.58 -0.25 -4.45 120.64 116.98 2bl8 n GLU 44 Ca 0.20 -1.58 -0.16 0.00 -0.42 0.00 0.00 57.16 55.19 2bl8 n GLU 44 Cb 0.87 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 30.38 2bl8 n GLU 44 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2bl8 h LEU 45 N 2.57 -0.86 -6.16 -4.62 5.85 -1.64 -3.41 115.31 107.04 2bl8 h LEU 45 Ca 0.00 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 2bl8 h LEU 45 Cb 0.63 0.27 -0.24 0.00 0.37 0.00 0.00 40.66 41.69 2bl8 h LEU 45 CO 0.00 -0.51 -0.51 -0.62 -0.34 0.00 0.00 178.44 176.46 2bl8 s ASP 46 N -4.53 -0.46 0.00 1.25 2.15 -1.26 -5.03 116.67 108.79 2bl8 s ASP 46 Ca -0.17 -0.71 0.10 0.00 0.43 0.00 0.00 52.55 52.19 2bl8 s ASP 46 Cb 0.05 1.44 0.44 0.00 -0.30 0.00 0.00 42.92 44.56 2bl8 s ASP 46 CO 0.63 -0.26 1.27 -2.65 -0.17 0.00 0.00 175.17 173.99 2bl8 n PRO 47 N 4.77 0.05 -0.05 4.34 -0.02 -1.26 -4.23 135.00 138.59 2bl8 n PRO 47 Ca 0.08 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 2bl8 n PRO 47 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 2bl8 n PRO 47 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2bl8 h SER 48 N 0.00 -1.43 -0.73 2.55 0.02 -1.93 -0.26 113.55 111.77 2bl8 h SER 48 Ca 0.00 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2bl8 h SER 48 Cb 0.14 0.59 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 2bl8 h SER 48 CO 0.00 -0.41 0.43 -0.65 -1.14 0.00 0.00 176.83 175.06 2bl8 h PRO 49 N -0.45 0.78 -0.25 3.45 0.11 -1.85 0.31 132.00 134.10 2bl8 h PRO 49 Ca 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2bl8 h PRO 49 Cb 0.62 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2bl8 h PRO 49 CO -0.47 0.51 0.11 1.25 -0.21 0.00 0.00 178.00 179.19 2bl8 h LEU 50 N 0.80 0.34 -1.23 2.35 5.85 -1.74 -2.34 115.31 119.33 2bl8 h LEU 50 Ca 0.32 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2bl8 h LEU 50 Cb 0.15 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2bl8 h LEU 50 CO -0.16 0.40 -0.13 0.40 -0.34 0.00 0.00 178.44 178.60 2bl8 h ILE 51 N 0.26 1.21 -0.62 4.05 1.08 -0.69 -1.62 117.51 121.17 2bl8 h ILE 51 Ca 0.08 -0.93 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2bl8 h ILE 51 Cb 0.16 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2bl8 h ILE 51 CO -0.01 0.30 0.38 -1.13 -0.69 0.00 0.00 178.15 177.00 2bl8 h ASN 52 N 0.35 0.74 -0.41 1.72 -0.73 -0.63 0.68 115.58 117.30 2bl8 h ASN 52 Ca 0.07 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.13 2bl8 h ASN 52 Cb 0.45 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2bl8 h ASN 52 CO 0.03 0.58 0.07 0.03 -0.37 0.00 0.00 177.43 177.77 2bl8 h ARG 53 N 0.84 0.68 -0.29 6.67 3.08 -0.90 -2.21 114.38 122.25 2bl8 h ARG 53 Ca 0.22 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2bl8 h ARG 53 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2bl8 h ARG 53 CO -0.04 0.72 0.09 1.25 -1.07 0.00 0.00 179.97 180.91 2bl8 h LEU 54 N 0.53 0.07 -0.26 3.04 5.85 -0.74 0.57 115.31 124.37 2bl8 h LEU 54 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2bl8 h LEU 54 Cb 0.36 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2bl8 h LEU 54 CO 0.01 0.08 0.17 0.58 -0.34 0.00 0.00 178.44 178.93 2bl8 h VAL 55 N 0.21 1.07 -0.01 1.05 2.07 -0.78 0.11 116.25 119.96 2bl8 h VAL 55 Ca 0.13 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 2bl8 h VAL 55 Cb 0.12 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2bl8 h VAL 55 CO -0.15 0.07 -0.34 0.78 0.02 0.00 0.00 177.57 177.95 2bl8 h ASN 56 N 0.35 0.02 -0.36 0.57 2.35 -1.16 -1.66 115.58 115.69 2bl8 h ASN 56 Ca 0.09 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2bl8 h ASN 56 Cb -0.03 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2bl8 h ASN 56 CO -0.02 0.36 -0.15 0.22 -1.65 0.00 0.00 177.43 176.19 2bl8 h TYR 57 N 0.02 0.83 -0.71 1.19 3.20 -0.23 -2.01 116.97 119.26 2bl8 h TYR 57 Ca 0.00 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 2bl8 h TYR 57 Cb 0.61 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2bl8 h TYR 57 CO 0.00 0.91 0.43 -0.07 -1.64 0.00 0.00 178.16 177.80 2bl8 h LEU 58 N 0.51 0.86 -0.49 2.82 3.38 -0.27 0.17 115.31 122.29 2bl8 h LEU 58 Ca 0.08 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2bl8 h LEU 58 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2bl8 h LEU 58 CO 0.05 0.67 -0.33 1.88 0.09 0.00 0.00 178.44 180.80 2bl8 h TYR 59 N 0.97 1.04 -0.27 1.13 0.05 -1.27 -0.66 116.97 117.97 2bl8 h TYR 59 Ca 0.26 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2bl8 h TYR 59 Cb -0.03 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 2bl8 h TYR 59 CO -0.01 1.09 0.07 0.35 -1.05 0.00 0.00 178.16 178.61 2bl8 h PHE 60 N 0.74 0.45 -0.43 4.88 3.57 -1.07 -1.04 116.94 124.04 2bl8 h PHE 60 Ca 0.07 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2bl8 h PHE 60 Cb 0.90 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2bl8 h PHE 60 CO 0.05 0.50 -0.18 1.15 -2.23 0.00 0.00 178.31 177.61 2bl8 h THR 61 N 0.27 1.27 -0.55 4.41 2.02 -0.95 -0.54 112.91 118.84 2bl8 h THR 61 Ca 0.08 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 65.91 2bl8 h THR 61 Cb 0.28 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2bl8 h THR 61 CO 0.00 0.44 0.12 0.00 0.37 0.00 0.00 175.52 176.45 2bl8 h ALA 62 N 1.07 0.73 0.20 6.16 0.00 -1.04 0.41 119.26 126.79 2bl8 h ALA 62 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2bl8 h ALA 62 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bl8 h ALA 62 CO 0.05 0.45 -0.10 -0.92 0.00 0.00 0.00 179.25 178.73 2bl8 h TYR 63 N 0.79 -0.25 -0.88 0.00 3.20 -0.92 0.20 116.97 119.11 2bl8 h TYR 63 Ca 0.17 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2bl8 h TYR 63 Cb 0.36 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2bl8 h TYR 63 CO 0.03 -0.11 0.46 1.15 -1.64 0.00 0.00 178.16 178.04 2bl8 h THR 64 N -0.33 1.26 -0.29 1.81 2.02 -0.95 -2.70 112.91 113.74 2bl8 h THR 64 Ca -0.03 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2bl8 h THR 64 Cb 0.26 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2bl8 h THR 64 CO 0.05 0.30 0.00 0.59 0.37 0.00 0.00 175.52 176.83 2bl8 n ASN 65 N -4.32 2.09 -3.64 4.18 4.13 0.12 -4.94 115.26 112.88 2bl8 n ASN 65 Ca 0.09 -1.85 -0.22 0.00 1.68 0.00 0.00 54.58 54.28 2bl8 n ASN 65 Cb 0.12 -0.19 0.04 0.00 -1.54 0.00 0.00 39.78 38.21 2bl8 n ASN 65 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2bl8 n LYS 66 N 0.61 -3.97 -4.15 3.52 5.02 -0.41 -4.97 118.16 113.81 2bl8 n LYS 66 Ca 0.16 0.62 -0.35 0.00 -2.02 0.00 0.00 58.31 56.72 2bl8 n LYS 66 Cb 0.37 -5.07 -0.10 0.00 -0.02 0.00 0.00 35.03 30.21 2bl8 n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bl8 s ILE 67 N -3.60 4.59 -0.38 -0.18 1.01 0.58 -5.04 121.20 118.17 2bl8 s ILE 67 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 2bl8 s ILE 67 Cb -0.04 -3.02 0.10 0.00 0.01 0.00 0.00 42.46 39.51 2bl8 s ILE 67 CO 0.81 0.52 0.16 -0.13 0.00 0.00 0.00 174.94 176.30 2bl8 s ARG 68 N -0.07 2.09 0.38 2.79 0.52 -1.26 -4.67 118.95 118.74 2bl8 s ARG 68 Ca 0.05 -1.69 -0.28 0.00 -0.52 0.00 0.00 55.73 53.29 2bl8 s ARG 68 Cb -0.12 -3.50 -0.11 0.00 0.52 0.00 0.00 34.95 31.74 2bl8 s ARG 68 CO 0.01 -0.97 1.48 -0.06 0.02 0.00 0.00 175.30 175.79 2bl8 s PHE 69 N 1.17 2.57 0.91 -0.53 0.08 -1.26 -4.97 117.98 115.95 2bl8 s PHE 69 Ca 0.06 1.18 -0.11 0.00 0.12 0.00 0.00 56.93 58.17 2bl8 s PHE 69 Cb -0.22 -4.02 0.14 0.00 -0.57 0.00 0.00 43.02 38.35 2bl8 s PHE 69 CO -0.03 -3.00 1.09 0.95 -0.10 0.00 0.00 175.22 174.13 2bl8 s THR 70 N -1.13 2.59 0.29 0.64 -4.23 -1.26 -4.57 115.64 107.98 2bl8 s THR 70 Ca 0.54 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 2bl8 s THR 70 Cb -0.46 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.12 2bl8 s THR 70 CO 0.63 -0.25 1.78 -0.08 -0.54 0.00 0.00 174.62 176.15 2bl8 h GLU 71 N -1.67 0.74 -0.17 3.99 4.81 -1.98 0.39 114.58 120.69 2bl8 h GLU 71 Ca -0.49 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 2bl8 h GLU 71 Cb 1.28 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2bl8 h GLU 71 CO 0.51 0.49 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.36 2bl8 h TYR 72 N 0.76 0.34 -0.45 0.92 3.20 -1.99 -1.65 116.97 118.10 2bl8 h TYR 72 Ca 0.55 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.31 2bl8 h TYR 72 Cb 0.81 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2bl8 h TYR 72 CO -0.02 0.53 0.08 1.96 -1.64 0.00 0.00 178.16 179.06 2bl8 h GLN 73 N 0.05 0.74 -0.32 1.82 4.20 -1.56 -1.94 115.11 118.10 2bl8 h GLN 73 Ca 0.05 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2bl8 h GLN 73 Cb 0.40 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2bl8 h GLN 73 CO 0.01 0.76 0.11 0.93 -0.67 0.00 0.00 178.83 179.97 2bl8 h GLU 74 N 0.61 0.45 -0.41 1.46 5.08 -0.26 -0.72 114.58 120.79 2bl8 h GLU 74 Ca 0.14 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2bl8 h GLU 74 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bl8 h GLU 74 CO 0.01 0.39 -0.04 1.49 -1.00 0.00 0.00 179.01 179.86 2bl8 h GLU 75 N 0.45 0.74 -0.69 2.33 4.81 -0.82 -0.73 114.58 120.66 2bl8 h GLU 75 Ca 0.11 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 2bl8 h GLU 75 Cb 0.12 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2bl8 h GLU 75 CO -0.01 0.85 0.23 -0.07 -0.73 0.00 0.00 179.01 179.28 2bl8 h LEU 76 N 0.57 0.98 -0.86 1.64 3.38 -0.60 -2.35 115.31 118.07 2bl8 h LEU 76 Ca 0.11 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2bl8 h LEU 76 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2bl8 h LEU 76 CO 0.03 0.91 -0.23 0.40 0.09 0.00 0.00 178.44 179.63 2bl8 h ILE 77 N 1.02 1.27 -0.38 1.22 2.04 -0.91 -1.75 117.51 120.02 2bl8 h ILE 77 Ca 0.23 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 2bl8 h ILE 77 Cb 0.27 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2bl8 h ILE 77 CO -0.01 0.42 -0.07 0.03 0.00 0.00 0.00 178.15 178.51 2bl8 h ARG 78 N 0.52 0.64 -0.23 2.37 3.08 -0.74 0.40 114.38 120.41 2bl8 h ARG 78 Ca 0.08 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 2bl8 h ARG 78 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2bl8 h ARG 78 CO 0.05 0.71 -0.32 -0.91 -1.07 0.00 0.00 179.97 178.43 2bl8 h ASN 79 N 0.59 0.48 -0.48 7.04 4.21 -1.07 -2.20 115.58 124.16 2bl8 h ASN 79 Ca 0.11 -0.19 -0.13 0.00 1.21 0.00 0.00 56.30 57.31 2bl8 h ASN 79 Cb 0.48 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2bl8 h ASN 79 CO 0.03 0.78 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.68 2bl8 h LEU 80 N 0.41 1.02 -1.39 1.61 3.38 -0.64 -2.75 115.31 116.94 2bl8 h LEU 80 Ca 0.05 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2bl8 h LEU 80 Cb 0.76 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2bl8 h LEU 80 CO 0.06 1.17 0.43 0.28 0.09 0.00 0.00 178.44 180.48 2bl8 h SER 81 N 0.86 0.68 0.03 -0.43 0.02 -0.51 0.26 113.55 114.46 2bl8 h SER 81 Ca 0.12 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2bl8 h SER 81 Cb 0.77 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2bl8 h SER 81 CO 0.06 0.48 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.14 2bl8 h GLU 82 N 0.80 -0.03 -0.55 3.45 4.81 -1.13 -0.61 114.58 121.31 2bl8 h GLU 82 Ca 0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2bl8 h GLU 82 Cb 0.05 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2bl8 h GLU 82 CO -0.07 0.09 0.06 0.82 -0.73 0.00 0.00 179.01 179.18 2bl8 h ILE 83 N -0.15 1.25 0.00 2.32 2.04 -1.18 -2.76 117.51 119.03 2bl8 h ILE 83 Ca -0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2bl8 h ILE 83 Cb 0.14 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2bl8 h ILE 83 CO 0.01 0.36 -0.06 1.23 0.00 0.00 0.00 178.15 179.68 2bl8 h GLY 84 N 1.00 0.00 0.00 5.37 0.00 -0.27 -3.40 103.07 105.77 2bl8 h GLY 84 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2bl8 h GLY 84 CO 0.01 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.42