#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 0.08 -0.88 5.20 0.00 -1.97 -1.91 119.26 119.78 2bl8 h ALA 5 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2bl8 h ALA 5 Cb 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2bl8 h ALA 5 CO 0.00 -0.51 0.52 0.87 0.00 0.00 0.00 179.25 180.13 2bl8 h LYS 6 N -0.05 0.84 -0.27 0.00 1.57 -1.95 -0.87 116.57 115.83 2bl8 h LYS 6 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2bl8 h LYS 6 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2bl8 h LYS 6 CO -0.21 0.56 0.13 0.37 -0.57 0.00 0.00 179.45 179.72 2bl8 h GLN 7 N 0.86 0.39 -0.47 3.15 4.15 -1.86 0.12 115.11 121.45 2bl8 h GLN 7 Ca 0.42 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.74 2bl8 h GLN 7 Cb 0.38 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2bl8 h GLN 7 CO -0.25 0.39 0.11 0.82 -1.93 0.00 0.00 178.83 177.97 2bl8 h ILE 8 N 0.30 1.24 -0.42 2.39 1.08 -0.80 0.60 117.51 121.89 2bl8 h ILE 8 Ca 0.09 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 2bl8 h ILE 8 Cb 0.12 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 2bl8 h ILE 8 CO -0.01 0.30 0.19 0.58 -0.69 0.00 0.00 178.15 178.51 2bl8 h VAL 9 N 0.63 1.19 -0.53 1.67 2.07 -1.08 0.90 116.25 121.11 2bl8 h VAL 9 Ca 0.15 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2bl8 h VAL 9 Cb 0.33 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2bl8 h VAL 9 CO 0.00 0.21 0.32 -0.74 0.02 0.00 0.00 177.57 177.38 2bl8 h HIS 10 N 0.54 0.69 -0.60 1.57 -0.00 -0.79 0.11 115.15 116.68 2bl8 h HIS 10 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.42 2bl8 h HIS 10 Cb 0.15 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 2bl8 h HIS 10 CO -0.01 0.47 -0.01 0.93 -0.00 0.00 0.00 177.93 179.32 2bl8 h GLU 11 N 0.71 1.05 -0.45 5.26 5.08 -0.54 -1.22 114.58 124.47 2bl8 h GLU 11 Ca 0.19 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2bl8 h GLU 11 Cb -0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2bl8 h GLU 11 CO -0.04 1.03 -0.10 1.25 -1.00 0.00 0.00 179.01 180.15 2bl8 h LEU 12 N 0.96 0.87 0.21 1.33 5.85 -0.55 -1.22 115.31 122.76 2bl8 h LEU 12 Ca 0.17 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2bl8 h LEU 12 Cb 0.56 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2bl8 h LEU 12 CO 0.03 1.03 -0.10 0.22 -0.34 0.00 0.00 178.44 179.28 2bl8 h TYR 13 N 0.71 -0.26 -0.90 1.25 3.20 -0.80 -2.06 116.97 118.11 2bl8 h TYR 13 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2bl8 h TYR 13 Cb 0.64 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2bl8 h TYR 13 CO 0.05 -0.15 0.50 -0.91 -1.64 0.00 0.00 178.16 176.01 2bl8 h ASN 14 N -0.29 1.11 -0.60 -2.11 4.21 -1.17 0.14 115.58 116.87 2bl8 h ASN 14 Ca -0.03 -0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.33 2bl8 h ASN 14 Cb 0.22 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 2bl8 h ASN 14 CO 0.05 0.88 0.15 -0.78 -1.29 0.00 0.00 177.43 176.44 2bl8 h ASP 15 N 1.25 0.91 -0.13 5.81 3.58 -1.08 -2.56 116.42 124.19 2bl8 h ASP 15 Ca 0.32 -0.23 -0.18 0.00 0.42 0.00 0.00 57.03 57.36 2bl8 h ASP 15 Cb 0.01 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 40.83 2bl8 h ASP 15 CO -0.05 0.90 -0.63 0.40 -2.88 0.00 0.00 179.24 176.98 2bl8 h ILE 16 N 0.87 1.32 -0.56 2.25 2.04 -1.14 -3.29 117.51 119.02 2bl8 h ILE 16 Ca 0.19 -1.88 0.03 0.00 1.00 0.00 0.00 64.86 64.19 2bl8 h ILE 16 Cb 0.35 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2bl8 h ILE 16 CO 0.00 0.58 0.37 0.77 0.00 0.00 0.00 178.15 179.87 2bl8 h SER 17 N 0.33 0.56 -0.17 1.72 4.64 -0.64 -1.88 113.55 118.11 2bl8 h SER 17 Ca -0.04 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2bl8 h SER 17 Cb 1.26 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2bl8 h SER 17 CO 0.13 0.39 0.11 0.40 -0.87 0.00 0.00 176.83 176.99 2bl8 h ILE 18 N 0.65 1.01 -1.49 0.95 2.04 -1.52 -2.98 117.51 116.17 2bl8 h ILE 18 Ca 0.22 -0.06 -0.76 0.00 1.00 0.00 0.00 64.86 65.26 2bl8 h ILE 18 Cb 0.07 0.82 -0.16 0.00 -0.74 0.00 0.00 36.82 36.81 2bl8 h ILE 18 CO -0.06 0.03 1.99 -1.20 0.00 0.00 0.00 178.15 178.92 2bl8 n SER 19 N -4.51 6.28 -4.27 1.72 7.64 -0.71 -4.93 113.62 114.83 2bl8 n SER 19 Ca -0.00 -3.18 -0.11 0.00 1.01 0.00 0.00 58.87 56.59 2bl8 n SER 19 Cb 0.12 -1.41 -0.11 0.00 -1.01 0.00 0.00 64.21 61.80 2bl8 n SER 19 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2bl8 n LYS 20 N 2.74 0.02 -4.05 1.43 5.02 -1.13 -4.83 118.16 117.37 2bl8 n LYS 20 Ca 0.46 -0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.39 2bl8 n LYS 20 Cb 0.32 -1.19 -0.17 0.00 -0.02 0.00 0.00 35.03 33.97 2bl8 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bl8 s ASP 21 N 0.67 2.16 0.58 4.39 -1.08 -1.26 -5.03 116.67 117.10 2bl8 s ASP 21 Ca 0.68 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 52.66 2bl8 s ASP 21 Cb -0.40 -0.88 1.63 0.00 -1.46 0.00 0.00 42.92 41.80 2bl8 s ASP 21 CO 0.28 -0.08 2.11 1.55 0.52 0.00 0.00 175.17 179.54 2bl8 h PRO 22 N 7.93 0.00 0.00 4.34 0.13 -2.01 -1.55 132.00 140.84 2bl8 h PRO 22 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2bl8 h PRO 22 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2bl8 h PRO 22 CO 0.43 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.56 2bl8 n LYS 23 N -3.90 0.00 -0.06 0.86 2.85 -1.26 -1.45 118.16 115.21 2bl8 n LYS 23 Ca 0.02 0.30 0.07 0.00 -1.05 0.00 0.00 58.31 57.65 2bl8 n LYS 23 Cb 0.31 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.28 2bl8 n LYS 23 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2bl8 n TYR 24 N -1.50 0.15 -0.15 5.58 4.01 -0.58 -4.65 117.16 120.01 2bl8 n TYR 24 Ca 0.03 -0.12 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 2bl8 n TYR 24 Cb 0.14 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.22 2bl8 n TYR 24 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2bl8 h SER 25 N 2.81 0.13 -0.46 7.72 4.64 -1.33 -0.80 113.55 126.25 2bl8 h SER 25 Ca 0.00 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2bl8 h SER 25 Cb 0.65 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 2bl8 h SER 25 CO 0.00 0.10 0.15 0.44 -0.87 0.00 0.00 176.83 176.65 2bl8 h ASP 26 N 0.31 0.67 -0.75 4.97 3.32 -1.83 -1.88 116.42 121.23 2bl8 h ASP 26 Ca 0.23 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2bl8 h ASP 26 Cb 0.25 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2bl8 h ASP 26 CO -0.25 0.69 0.49 0.40 -1.72 0.00 0.00 179.24 178.85 2bl8 h ILE 27 N 0.61 1.20 -0.58 0.35 2.04 -1.77 -1.45 117.51 117.91 2bl8 h ILE 27 Ca 0.15 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2bl8 h ILE 27 Cb 0.25 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2bl8 h ILE 27 CO -0.01 0.19 0.05 -0.07 0.00 0.00 0.00 178.15 178.31 2bl8 h LEU 28 N 1.02 0.94 -0.61 1.44 3.38 -0.97 -0.75 115.31 119.77 2bl8 h LEU 28 Ca 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2bl8 h LEU 28 Cb -0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2bl8 h LEU 28 CO -0.06 0.97 0.29 -0.08 0.09 0.00 0.00 178.44 179.66 2bl8 h GLU 29 N 0.91 0.88 -0.34 1.13 4.81 -0.83 -0.04 114.58 121.10 2bl8 h GLU 29 Ca 0.18 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2bl8 h GLU 29 Cb 0.47 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2bl8 h GLU 29 CO 0.02 0.71 -0.04 0.28 -0.73 0.00 0.00 179.01 179.25 2bl8 h VAL 30 N 0.83 1.27 -0.88 0.32 2.07 -1.02 -1.70 116.25 117.15 2bl8 h VAL 30 Ca 0.21 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2bl8 h VAL 30 Cb 0.12 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2bl8 h VAL 30 CO -0.03 0.34 0.57 -0.07 0.02 0.00 0.00 177.57 178.41 2bl8 h LEU 31 N 0.43 0.97 -0.02 2.57 3.38 -0.88 -0.52 115.31 121.23 2bl8 h LEU 31 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2bl8 h LEU 31 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2bl8 h LEU 31 CO 0.02 0.68 -0.03 -0.61 0.09 0.00 0.00 178.44 178.60 2bl8 h GLN 32 N 1.14 -0.04 -0.68 1.13 5.75 -0.77 -0.66 115.11 120.97 2bl8 h GLN 32 Ca 0.34 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.88 2bl8 h GLN 32 Cb -0.06 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 2bl8 h GLN 32 CO -0.10 -0.03 0.41 -0.22 -2.65 0.00 0.00 178.83 176.24 2bl8 h LYS 33 N -0.04 0.76 -0.50 1.69 3.64 -0.80 -2.26 116.57 119.05 2bl8 h LYS 33 Ca 0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2bl8 h LYS 33 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2bl8 h LYS 33 CO -0.05 0.50 0.10 0.28 -2.27 0.00 0.00 179.45 178.01 2bl8 h VAL 34 N 0.78 1.25 -0.21 2.00 2.07 -0.82 -2.63 116.25 118.68 2bl8 h VAL 34 Ca 0.29 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2bl8 h VAL 34 Cb 0.09 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2bl8 h VAL 34 CO -0.14 0.32 -0.03 0.22 0.02 0.00 0.00 177.57 177.96 2bl8 h TYR 35 N 0.70 -0.07 -0.83 1.57 3.20 -0.71 -0.58 116.97 120.27 2bl8 h TYR 35 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2bl8 h TYR 35 Cb 0.37 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 2bl8 h TYR 35 CO 0.03 -0.06 0.53 -0.07 -1.64 0.00 0.00 178.16 176.94 2bl8 h LEU 36 N 0.03 0.86 -0.87 2.82 3.38 -1.35 -2.20 115.31 117.98 2bl8 h LEU 36 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2bl8 h LEU 36 Cb 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2bl8 h LEU 36 CO -0.20 0.58 0.14 0.11 0.09 0.00 0.00 178.44 179.16 2bl8 h LYS 37 N 1.01 0.97 0.00 1.13 1.57 -1.02 -2.40 116.57 117.84 2bl8 h LYS 37 Ca 0.34 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2bl8 h LYS 37 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2bl8 h LYS 37 CO -0.13 0.87 0.00 1.28 -0.57 0.00 0.00 179.45 180.90 2bl8 n LEU 38 N -4.25 0.42 -1.88 2.94 4.77 -0.28 -5.12 117.00 113.61 2bl8 n LEU 38 Ca 0.04 0.63 -0.18 0.00 -0.03 0.00 0.00 56.01 56.48 2bl8 n LEU 38 Cb 0.25 -0.60 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2bl8 n LEU 38 CO 0.41 -0.56 1.16 -0.62 -1.33 0.00 0.00 177.39 176.45 2bl8 n GLU 39 N -1.99 1.86 0.00 3.23 1.02 -0.91 -4.95 120.64 118.91 2bl8 n GLU 39 Ca 0.01 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 2bl8 n GLU 39 Cb 0.15 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2bl8 n GLU 39 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bl8 n PRO 47 N -0.00 0.00 -0.19 3.49 -0.04 -1.26 -5.13 135.00 131.87 2bl8 n PRO 47 Ca 0.34 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2bl8 n PRO 47 Cb 0.75 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.26 2bl8 n PRO 47 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2bl8 h SER 48 N 0.00 0.54 -0.75 3.54 0.02 -1.93 0.03 113.55 115.00 2bl8 h SER 48 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2bl8 h SER 48 Cb 0.00 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 2bl8 h SER 48 CO 0.00 0.38 0.42 -0.65 -1.14 0.00 0.00 176.83 175.84 2bl8 h PRO 49 N 0.66 1.05 -0.36 3.45 0.11 -2.00 -0.88 132.00 134.03 2bl8 h PRO 49 Ca 0.22 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 2bl8 h PRO 49 Cb 0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 2bl8 h PRO 49 CO -0.10 0.77 0.06 1.25 -0.21 0.00 0.00 178.00 179.78 2bl8 h LEU 50 N 1.04 0.58 -0.45 2.35 5.85 -1.91 -1.64 115.31 121.12 2bl8 h LEU 50 Ca 0.27 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2bl8 h LEU 50 Cb 0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2bl8 h LEU 50 CO -0.04 0.69 0.27 0.40 -0.34 0.00 0.00 178.44 179.41 2bl8 h ILE 51 N 0.44 1.05 -0.62 4.05 2.04 -0.72 -1.18 117.51 122.58 2bl8 h ILE 51 Ca 0.11 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2bl8 h ILE 51 Cb 0.36 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2bl8 h ILE 51 CO 0.01 0.10 0.11 -1.13 0.00 0.00 0.00 178.15 177.23 2bl8 h ASN 52 N 0.54 0.96 -0.67 1.72 -1.24 -0.99 -0.85 115.58 115.05 2bl8 h ASN 52 Ca 0.18 -0.22 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 2bl8 h ASN 52 Cb 0.00 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 2bl8 h ASN 52 CO -0.08 0.96 0.33 0.03 -1.29 0.00 0.00 177.43 177.39 2bl8 h ARG 53 N 0.95 0.99 -0.27 6.67 3.08 -0.93 -0.65 114.38 124.22 2bl8 h ARG 53 Ca 0.19 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2bl8 h ARG 53 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2bl8 h ARG 53 CO 0.01 0.76 0.03 1.25 -1.07 0.00 0.00 179.97 180.95 2bl8 h LEU 54 N 0.98 0.45 -0.59 3.04 5.85 -0.54 -1.93 115.31 122.58 2bl8 h LEU 54 Ca 0.24 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2bl8 h LEU 54 Cb 0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2bl8 h LEU 54 CO -0.03 0.61 0.17 0.58 -0.34 0.00 0.00 178.44 179.43 2bl8 h VAL 55 N 0.27 1.24 -0.38 1.05 2.07 -0.83 -0.57 116.25 119.10 2bl8 h VAL 55 Ca 0.08 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.82 2bl8 h VAL 55 Cb 0.36 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2bl8 h VAL 55 CO 0.01 0.32 0.03 0.78 0.02 0.00 0.00 177.57 178.73 2bl8 h ASN 56 N 0.84 -0.09 -0.47 0.57 -0.26 -1.03 -2.26 115.58 112.87 2bl8 h ASN 56 Ca 0.19 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2bl8 h ASN 56 Cb 0.31 0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 2bl8 h ASN 56 CO -0.00 -0.01 0.29 0.22 -1.06 0.00 0.00 177.43 176.87 2bl8 h TYR 57 N 0.14 0.61 -0.33 1.19 3.20 -0.89 -1.38 116.97 119.50 2bl8 h TYR 57 Ca 0.19 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2bl8 h TYR 57 Cb 0.25 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2bl8 h TYR 57 CO -0.24 0.41 0.17 -0.07 -1.64 0.00 0.00 178.16 176.79 2bl8 h LEU 58 N 0.63 0.24 -0.45 2.82 3.38 -0.61 0.22 115.31 121.55 2bl8 h LEU 58 Ca 0.17 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 2bl8 h LEU 58 Cb -0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2bl8 h LEU 58 CO -0.03 0.18 -0.67 1.88 0.09 0.00 0.00 178.44 179.89 2bl8 h TYR 59 N 0.34 0.60 -0.18 1.13 0.05 -1.37 -0.99 116.97 116.55 2bl8 h TYR 59 Ca 0.14 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2bl8 h TYR 59 Cb 0.05 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2bl8 h TYR 59 CO -0.10 0.99 0.02 0.35 -1.05 0.00 0.00 178.16 178.37 2bl8 h PHE 60 N 0.32 0.34 -0.68 4.88 3.57 -0.97 -1.90 116.94 122.50 2bl8 h PHE 60 Ca -0.02 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 2bl8 h PHE 60 Cb 1.23 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2bl8 h PHE 60 CO 0.04 0.48 0.31 1.15 -2.23 0.00 0.00 178.31 178.07 2bl8 h THR 61 N 0.09 1.23 -0.59 4.41 2.02 -0.53 -0.85 112.91 118.69 2bl8 h THR 61 Ca 0.05 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.57 2bl8 h THR 61 Cb 0.34 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2bl8 h THR 61 CO 0.01 0.28 0.39 0.00 0.37 0.00 0.00 175.52 176.56 2bl8 h ALA 62 N 1.14 0.75 0.16 6.16 0.00 -1.08 0.96 119.26 127.35 2bl8 h ALA 62 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2bl8 h ALA 62 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bl8 h ALA 62 CO -0.03 0.17 -0.08 -0.92 0.00 0.00 0.00 179.25 178.39 2bl8 h TYR 63 N 0.79 -0.20 -0.90 0.00 3.20 -1.06 0.38 116.97 119.18 2bl8 h TYR 63 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2bl8 h TYR 63 Cb -0.07 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 2bl8 h TYR 63 CO -0.04 0.16 0.58 1.15 -1.64 0.00 0.00 178.16 178.37 2bl8 h THR 64 N -0.61 1.24 -0.25 1.81 2.02 -1.06 -2.26 112.91 113.79 2bl8 h THR 64 Ca -0.02 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2bl8 h THR 64 Cb 0.46 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2bl8 h THR 64 CO 0.04 0.23 0.00 0.59 0.37 0.00 0.00 175.52 176.75 2bl8 n ASN 65 N -4.38 2.47 -3.75 4.18 5.03 0.32 -4.96 115.26 114.17 2bl8 n ASN 65 Ca 0.10 -1.84 -0.23 0.00 0.87 0.00 0.00 54.58 53.48 2bl8 n ASN 65 Cb 0.03 -0.16 0.02 0.00 -1.02 0.00 0.00 39.78 38.66 2bl8 n ASN 65 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2bl8 n LYS 66 N 0.86 -4.74 -3.99 3.52 5.02 -0.15 -4.98 118.16 113.70 2bl8 n LYS 66 Ca 0.17 0.59 -0.34 0.00 -2.02 0.00 0.00 58.31 56.71 2bl8 n LYS 66 Cb 0.46 -5.12 -0.06 0.00 -0.02 0.00 0.00 35.03 30.29 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 -3.68 5.17 -0.22 -0.18 1.01 0.11 -5.02 121.20 118.39 2bl8 s ILE 67 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2bl8 s ILE 67 Cb -0.03 -3.35 0.05 0.00 0.01 0.00 0.00 42.46 39.13 2bl8 s ILE 67 CO 0.82 0.41 -0.12 -0.13 0.00 0.00 0.00 174.94 175.92 2bl8 s ARG 68 N -1.62 2.31 0.57 2.79 1.81 -1.26 -4.63 118.95 118.91 2bl8 s ARG 68 Ca 0.22 -1.07 -0.17 0.00 -1.72 0.00 0.00 55.73 52.99 2bl8 s ARG 68 Cb -0.12 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 2bl8 s ARG 68 CO 0.13 -0.45 1.08 -0.06 -0.68 0.00 0.00 175.30 175.32 2bl8 s PHE 69 N 1.24 2.86 0.78 -0.53 0.08 -1.26 -5.02 117.98 116.14 2bl8 s PHE 69 Ca -0.04 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.44 2bl8 s PHE 69 Cb -0.17 -3.10 0.06 0.00 -0.57 0.00 0.00 43.02 39.24 2bl8 s PHE 69 CO -0.08 -1.25 1.09 0.95 -0.10 0.00 0.00 175.22 175.83 2bl8 s THR 70 N -2.21 3.24 0.26 0.64 -4.23 -1.26 -4.78 115.64 107.29 2bl8 s THR 70 Ca 0.67 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 61.55 2bl8 s THR 70 Cb -0.18 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.77 2bl8 s THR 70 CO 0.32 -0.53 1.81 -0.08 -0.54 0.00 0.00 174.62 175.61 2bl8 h GLU 71 N -1.05 0.78 -0.43 3.99 4.57 -1.99 -0.13 114.58 120.33 2bl8 h GLU 71 Ca -0.46 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 2bl8 h GLU 71 Cb 1.26 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 2bl8 h GLU 71 CO 0.58 0.52 0.04 -0.92 -1.18 0.00 0.00 179.01 178.05 2bl8 h TYR 72 N 0.81 0.80 -0.71 0.92 3.20 -1.99 -1.68 116.97 118.31 2bl8 h TYR 72 Ca 0.43 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 2bl8 h TYR 72 Cb 0.44 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2bl8 h TYR 72 CO -0.05 0.78 0.29 1.96 -1.64 0.00 0.00 178.16 179.50 2bl8 h GLN 73 N 0.59 1.04 -0.66 1.82 4.20 -1.70 -0.87 115.11 119.53 2bl8 h GLN 73 Ca 0.13 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2bl8 h GLN 73 Cb 0.43 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2bl8 h GLN 73 CO 0.02 0.84 0.25 0.93 -0.67 0.00 0.00 178.83 180.20 2bl8 h GLU 74 N 1.02 0.98 -0.52 1.46 5.08 -0.82 -0.92 114.58 120.86 2bl8 h GLU 74 Ca 0.24 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2bl8 h GLU 74 Cb 0.18 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2bl8 h GLU 74 CO -0.02 0.81 -0.10 0.93 -1.00 0.00 0.00 179.01 179.63 2bl8 h GLU 75 N 0.96 0.96 -0.52 2.33 5.08 -0.61 -1.11 114.58 121.67 2bl8 h GLU 75 Ca 0.22 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2bl8 h GLU 75 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2bl8 h GLU 75 CO -0.02 1.01 0.06 -0.07 -1.00 0.00 0.00 179.01 178.99 2bl8 h LEU 76 N 0.86 0.85 -0.95 1.33 3.38 -0.63 -1.13 115.31 119.03 2bl8 h LEU 76 Ca 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2bl8 h LEU 76 Cb 0.64 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2bl8 h LEU 76 CO 0.04 0.91 0.30 0.40 0.09 0.00 0.00 178.44 180.19 2bl8 h ILE 77 N 0.76 1.24 -0.40 1.22 2.04 -0.95 -0.65 117.51 120.78 2bl8 h ILE 77 Ca 0.16 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2bl8 h ILE 77 Cb 0.44 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2bl8 h ILE 77 CO 0.01 0.30 0.20 -0.09 0.00 0.00 0.00 178.15 178.58 2bl8 h ARG 78 N 1.05 0.57 -0.50 2.37 2.43 -0.88 -2.32 114.38 117.10 2bl8 h ARG 78 Ca 0.25 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2bl8 h ARG 78 Cb 0.18 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2bl8 h ARG 78 CO -0.02 0.48 0.06 -0.91 -1.51 0.00 0.00 179.97 178.07 2bl8 h ASN 79 N 0.51 0.74 -0.38 -3.80 -0.26 -0.75 -1.83 115.58 109.82 2bl8 h ASN 79 Ca 0.14 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2bl8 h ASN 79 Cb 0.09 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 2bl8 h ASN 79 CO -0.02 0.77 0.20 0.25 -1.06 0.00 0.00 177.43 177.56 2bl8 h LEU 80 N 0.75 0.48 -1.06 1.61 5.85 -0.82 -1.86 115.31 120.26 2bl8 h LEU 80 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2bl8 h LEU 80 Cb 0.36 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2bl8 h LEU 80 CO 0.01 0.45 0.05 -1.28 -0.34 0.00 0.00 178.44 177.32 2bl8 h SER 81 N 0.47 0.67 -0.79 1.25 0.87 -1.17 -2.14 113.55 112.72 2bl8 h SER 81 Ca 0.13 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2bl8 h SER 81 Cb 0.08 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 2bl8 h SER 81 CO -0.02 0.72 0.50 -0.33 -0.53 0.00 0.00 176.83 177.16 2bl8 h GLU 82 N 0.68 1.06 -0.56 2.24 5.08 -0.79 0.19 114.58 122.49 2bl8 h GLU 82 Ca 0.14 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2bl8 h GLU 82 Cb 0.36 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2bl8 h GLU 82 CO 0.01 0.73 0.06 0.82 -1.00 0.00 0.00 179.01 179.62 2bl8 h ILE 83 N 1.09 1.26 -0.03 3.13 2.04 -0.79 -2.67 117.51 121.54 2bl8 h ILE 83 Ca 0.29 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 2bl8 h ILE 83 Cb -0.08 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2bl8 h ILE 83 CO -0.06 0.37 -0.39 1.23 0.00 0.00 0.00 178.15 179.31 2bl8 h GLY 84 N 0.84 0.06 -6.48 5.37 0.00 -0.68 -3.30 103.07 98.88 2bl8 h GLY 84 Ca 0.17 -0.05 -0.68 0.00 0.00 0.00 0.00 47.33 46.76 2bl8 h GLY 84 CO 0.02 0.05 -0.06 0.54 0.00 0.00 0.00 176.54 177.09 2bl8 n ARG 85 N -4.07 3.29 -4.60 4.80 1.74 0.59 -4.71 116.66 113.70 2bl8 n ARG 85 Ca -0.02 -4.63 -0.33 0.00 -0.77 0.00 0.00 57.85 52.10 2bl8 n ARG 85 Cb 0.43 -2.36 -0.13 0.00 -1.02 0.00 0.00 32.46 29.39 2bl8 n ARG 85 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2bl8 s THR 86 N -2.60 3.55 -0.32 0.55 2.01 -1.20 -4.80 115.64 112.82 2bl8 s THR 86 Ca 0.36 -0.50 -0.42 0.00 0.31 0.00 0.00 61.69 61.44 2bl8 s THR 86 Cb 0.11 -2.50 -0.17 0.00 0.01 0.00 0.00 72.50 69.94 2bl8 s THR 86 CO 0.03 0.53 1.64 0.00 -0.69 0.00 0.00 174.62 176.14 2bl8 n ALA 87 N 3.16 -0.80 -0.91 7.40 0.00 -1.26 -2.44 120.51 125.66 2bl8 n ALA 87 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2bl8 n ALA 87 Cb 0.53 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2bl8 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bl8 n GLY 88 N 3.91 0.42 0.11 0.00 0.00 -1.26 -4.92 105.19 103.45 2bl8 n GLY 88 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 2bl8 n GLY 88 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bl8 h ILE 89 N 0.00 1.36 0.00 -0.61 2.04 -1.88 -3.49 117.51 114.93 2bl8 h ILE 89 Ca 0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2bl8 h ILE 89 Cb 0.24 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2bl8 h ILE 89 CO 0.00 0.64 0.00 -3.20 0.00 0.00 0.00 178.15 175.59 2bl8 n ASN 90 N -4.20 0.00 -4.90 1.72 2.85 -1.26 -5.11 115.26 104.36 2bl8 n ASN 90 Ca -0.19 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.00 2bl8 n ASN 90 Cb 0.76 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.83 2bl8 n ASN 90 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2bl8 s GLY 91 N 0.00 1.62 0.19 8.20 0.00 -1.26 -5.02 107.32 111.06 2bl8 s GLY 91 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 2bl8 s GLY 91 CO 0.00 -0.22 1.10 -2.27 0.00 0.00 0.00 173.10 171.71 2bl8 s LEU 92 N -5.24 4.50 0.19 0.66 0.20 -1.26 -4.91 118.68 112.81 2bl8 s LEU 92 Ca 0.57 2.11 0.09 0.00 0.69 0.00 0.00 54.13 57.60 2bl8 s LEU 92 Cb -0.11 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 2bl8 s LEU 92 CO 0.48 -0.21 -0.10 -0.72 -0.29 0.00 0.00 176.35 175.51 2bl8 s TYR 93 N -0.36 2.60 -0.69 5.38 -0.85 -1.26 -5.06 117.35 117.11 2bl8 s TYR 93 Ca 0.49 -0.23 0.23 0.00 -0.52 0.00 0.00 57.07 57.03 2bl8 s TYR 93 Cb -0.30 -1.26 0.01 0.00 0.38 0.00 0.00 41.96 40.79 2bl8 s TYR 93 CO 0.36 0.52 1.00 0.54 -1.52 0.00 0.00 175.55 176.45 2bl8 n ARG 94 N -0.02 0.23 -3.86 -3.49 1.74 -1.26 -5.03 116.66 104.97 2bl8 n ARG 94 Ca -0.10 -0.02 0.03 0.00 -0.77 0.00 0.00 57.85 56.99 2bl8 n ARG 94 Cb 0.56 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 2bl8 n ARG 94 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bl8 s ALA 95 N -3.16 -2.47 0.61 7.54 0.00 -1.26 -4.53 121.76 118.50 2bl8 s ALA 95 Ca 0.04 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 2bl8 s ALA 95 Cb 0.15 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2bl8 s ALA 95 CO 0.81 -1.12 1.10 -0.51 0.00 0.00 0.00 175.76 176.04 2bl8 s ASP 96 N -3.55 5.41 0.01 0.00 1.01 -1.26 -4.87 116.67 113.43 2bl8 s ASP 96 Ca 0.25 2.01 -0.36 0.00 0.71 0.00 0.00 52.55 55.16 2bl8 s ASP 96 Cb 0.02 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.25 2bl8 s ASP 96 CO -0.02 -1.42 1.59 0.00 0.21 0.00 0.00 175.17 175.52 2bl8 n TYR 97 N -2.02 2.01 -0.44 4.23 9.36 -1.26 -1.82 117.16 127.22 2bl8 n TYR 97 Ca 0.10 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.70 2bl8 n TYR 97 Cb 0.52 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 2bl8 n TYR 97 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2bl8 n GLY 98 N 3.46 1.54 3.70 2.98 0.00 -1.26 -5.03 105.19 110.58 2bl8 n GLY 98 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2bl8 n GLY 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bl8 s ASP 99 N -3.25 6.97 0.25 1.61 -1.08 -0.75 -4.91 116.67 115.50 2bl8 s ASP 99 Ca 0.00 2.02 0.21 0.00 -0.52 0.00 0.00 52.55 54.26 2bl8 s ASP 99 Cb 0.00 -2.57 0.97 0.00 -1.46 0.00 0.00 42.92 39.86 2bl8 s ASP 99 CO 0.00 -0.60 1.65 2.29 0.52 0.00 0.00 175.17 179.03 2bl8 n LYS 100 N 4.77 0.16 0.14 4.34 2.85 -1.26 -2.95 118.16 126.20 2bl8 n LYS 100 Ca 0.11 0.48 0.10 0.00 -1.05 0.00 0.00 58.31 57.95 2bl8 n LYS 100 Cb 0.45 -1.86 0.53 0.00 -0.65 0.00 0.00 35.03 33.50 2bl8 n LYS 100 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2bl8 n SER 101 N -2.16 0.53 -0.04 -5.58 3.41 -1.26 -1.82 113.62 106.70 2bl8 n SER 101 Ca 0.01 0.73 0.15 0.00 -0.26 0.00 0.00 58.87 59.50 2bl8 n SER 101 Cb 0.16 -0.80 0.82 0.00 -0.26 0.00 0.00 64.21 64.13 2bl8 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bl8 n GLN 102 N -2.19 0.82 0.00 4.33 10.64 -1.15 -5.02 117.38 124.81 2bl8 n GLN 102 Ca -0.01 -0.09 0.06 0.00 -1.83 0.00 0.00 57.00 55.14 2bl8 n GLN 102 Cb 0.06 -1.50 0.05 0.00 -0.86 0.00 0.00 30.24 27.99 2bl8 n GLN 102 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42