#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg8 s ASN -7 N 0.00 -0.07 0.57 0.00 2.47 -1.26 -4.89 114.94 111.77 1xg8 s ASN -7 Ca 0.00 0.21 0.27 0.00 0.42 0.00 0.00 52.86 53.76 1xg8 s ASN -7 Cb 0.00 0.13 1.60 0.00 -1.45 0.00 0.00 41.25 41.53 1xg8 s ASN -7 CO 0.00 -0.11 2.12 -0.07 -3.72 0.00 0.00 177.10 175.32 1xg8 h LEU -6 N 6.89 0.00 0.00 3.21 3.38 -1.93 -2.62 115.31 124.25 1xg8 h LEU -6 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1xg8 h LEU -6 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1xg8 h LEU -6 CO 0.44 0.00 -0.43 -1.22 0.09 0.00 0.00 178.44 177.32 1xg8 n TYR -5 N -3.97 0.59 0.38 1.13 4.01 -1.26 -4.10 117.16 113.94 1xg8 n TYR -5 Ca 0.01 0.17 0.14 0.00 -0.16 0.00 0.00 57.90 58.06 1xg8 n TYR -5 Cb 0.29 -0.70 0.48 0.00 -0.31 0.00 0.00 39.34 39.10 1xg8 n TYR -5 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1xg8 h PHE -4 N 0.00 0.00 -2.82 -0.72 0.04 -1.90 -3.47 116.94 108.07 1xg8 h PHE -4 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1xg8 h PHE -4 Cb 0.72 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.78 1xg8 h PHE -4 CO 0.00 0.00 0.29 1.14 -0.60 0.00 0.00 178.31 179.14 1xg8 s GLN -3 N -3.36 1.42 0.05 1.51 0.00 -1.26 -5.11 119.66 112.90 1xg8 s GLN -3 Ca 0.05 -0.69 -0.31 0.00 -0.00 0.00 0.00 55.36 54.42 1xg8 s GLN -3 Cb 0.09 0.55 -0.07 0.00 0.00 0.00 0.00 33.01 33.58 1xg8 s GLN -3 CO 0.52 -0.64 1.45 -1.12 0.00 0.00 0.00 175.29 175.51 1xg8 s SER -2 N -2.82 6.79 -0.13 12.60 0.01 -1.26 -4.70 113.70 124.18 1xg8 s SER -2 Ca 0.07 2.25 -0.26 0.00 1.31 0.00 0.00 55.95 59.33 1xg8 s SER -2 Cb -0.03 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1xg8 s SER -2 CO -0.02 -0.74 0.85 0.20 0.41 0.00 0.00 173.24 173.94 1xg8 s ASN -1 N 1.77 7.03 -0.49 2.44 -0.87 0.16 -4.78 114.94 120.20 1xg8 s ASN -1 Ca 0.66 1.26 -0.28 0.00 -1.57 0.00 0.00 52.86 52.93 1xg8 s ASN -1 Cb -0.35 -2.47 0.01 0.00 -0.02 0.00 0.00 41.25 38.42 1xg8 s ASN -1 CO 0.29 -0.35 1.47 0.00 -2.57 0.00 0.00 177.10 175.93 1xg8 s ALA 0 N 1.84 2.86 -0.25 0.60 0.00 -1.26 -0.73 121.76 124.83 1xg8 s ALA 0 Ca 0.40 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 1xg8 s ALA 0 Cb -0.17 -4.05 -0.02 0.00 0.00 0.00 0.00 23.12 18.88 1xg8 s ALA 0 CO 0.15 -2.77 0.04 0.08 0.00 0.00 0.00 175.76 173.26 1xg8 s VAL 1 N 6.07 4.02 0.09 0.00 1.01 -0.07 0.91 120.40 132.43 1xg8 s VAL 1 Ca 0.59 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1xg8 s VAL 1 Cb -0.13 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1xg8 s VAL 1 CO 0.28 0.32 -0.26 -0.69 0.00 0.00 0.00 175.10 174.75 1xg8 s VAL 2 N 1.56 2.15 -0.21 2.92 1.01 0.41 -1.52 120.40 126.73 1xg8 s VAL 2 Ca 0.06 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.48 1xg8 s VAL 2 Cb -0.15 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1xg8 s VAL 2 CO 0.02 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.51 1xg8 s VAL 3 N -0.95 1.77 -0.11 2.92 1.01 -0.49 -1.11 120.40 123.44 1xg8 s VAL 3 Ca 0.12 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1xg8 s VAL 3 Cb -0.10 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1xg8 s VAL 3 CO 0.04 0.19 0.32 -0.31 0.00 0.00 0.00 175.10 175.34 1xg8 s TYR 4 N 1.34 3.56 0.00 5.22 2.02 0.51 -1.22 117.35 128.77 1xg8 s TYR 4 Ca -0.02 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 1xg8 s TYR 4 Cb -0.16 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.10 1xg8 s TYR 4 CO -0.08 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.71 1xg8 n GLY 5 N 2.77 1.36 3.50 0.71 0.00 -0.25 -0.71 105.19 112.56 1xg8 n GLY 5 Ca -0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1xg8 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg8 s ALA 6 N -1.00 -0.85 -2.00 4.61 0.00 -1.26 -0.27 121.76 120.99 1xg8 s ALA 6 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1xg8 s ALA 6 Cb 0.00 0.85 0.15 0.00 0.00 0.00 0.00 23.12 24.12 1xg8 s ALA 6 CO 0.00 -0.78 0.99 -3.47 0.00 0.00 0.00 175.76 172.49 1xg8 n ASP 7 N -0.33 0.00 -4.29 0.00 2.03 -1.26 -4.40 116.55 108.30 1xg8 n ASP 7 Ca -0.10 -1.69 -0.17 0.00 0.52 0.00 0.00 54.79 53.36 1xg8 n ASP 7 Cb 0.63 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 1xg8 n ASP 7 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1xg8 s VAL 8 N -2.00 1.44 0.46 5.18 -7.23 -1.26 -5.06 120.40 111.92 1xg8 s VAL 8 Ca 0.04 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 57.94 1xg8 s VAL 8 Cb 0.02 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 1xg8 s VAL 8 CO 0.03 -0.64 0.95 -0.63 -0.31 0.00 0.00 175.10 174.50 1xg8 s ILE 9 N -3.01 4.46 -0.14 -0.62 1.09 -1.26 -4.86 121.20 116.85 1xg8 s ILE 9 Ca 0.18 1.35 -0.28 0.00 -1.10 0.00 0.00 60.65 60.80 1xg8 s ILE 9 Cb 0.00 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.75 1xg8 s ILE 9 CO 0.04 -0.45 0.95 0.00 -0.10 0.00 0.00 174.94 175.38 1xg8 h ALA 11 N 7.22 1.53 0.00 0.00 0.00 -1.95 -1.19 119.26 124.87 1xg8 h ALA 11 Ca -0.29 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xg8 h ALA 11 Cb 1.13 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xg8 h ALA 11 CO 0.87 -0.31 0.00 0.43 0.00 0.00 0.00 179.25 180.24 1xg8 n SER 12 N -4.99 0.07 -3.02 0.00 7.64 -1.26 -3.73 113.62 108.33 1xg8 n SER 12 Ca 0.23 0.52 -0.16 0.00 1.01 0.00 0.00 58.87 60.46 1xg8 n SER 12 Cb 0.67 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 1xg8 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xg8 h VAL 14 N 2.13 0.93 0.00 0.00 2.07 -1.61 -2.96 116.25 116.81 1xg8 h VAL 14 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xg8 h VAL 14 Cb 0.97 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1xg8 h VAL 14 CO 0.39 0.12 -0.17 0.78 0.02 0.00 0.00 177.57 178.70 1xg8 h ASN 15 N 0.66 0.00 -4.28 0.57 2.35 -1.93 -3.48 115.58 109.47 1xg8 h ASN 15 Ca 0.32 -0.02 -0.52 0.00 -0.55 0.00 0.00 56.30 55.54 1xg8 h ASN 15 Cb 0.25 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.78 1xg8 h ASN 15 CO -0.21 0.01 0.28 0.00 -1.65 0.00 0.00 177.43 175.85 1xg8 s ALA 16 N -3.20 1.89 0.40 -0.83 0.00 -1.12 -4.96 121.76 113.95 1xg8 s ALA 16 Ca 0.07 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1xg8 s ALA 16 Cb 0.08 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1xg8 s ALA 16 CO 0.67 -2.21 1.37 -2.30 0.00 0.00 0.00 175.76 173.30 1xg8 n PRO 17 N -3.83 2.24 -0.77 0.00 -0.02 -1.26 -4.98 135.00 126.38 1xg8 n PRO 17 Ca 0.10 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1xg8 n PRO 17 Cb 0.53 -2.51 0.23 0.00 -0.02 0.00 0.00 33.50 31.72 1xg8 n PRO 17 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1xg8 s THR 18 N -1.16 2.01 0.12 3.45 -1.32 -1.26 -4.69 115.64 112.80 1xg8 s THR 18 Ca 0.58 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.91 1xg8 s THR 18 Cb -0.49 -2.22 -0.02 0.00 -1.51 0.00 0.00 72.50 68.25 1xg8 s THR 18 CO 0.60 -0.01 1.57 0.28 -2.21 0.00 0.00 174.62 174.86 1xg8 h SER 19 N -2.40 0.67 0.12 8.08 0.02 -1.89 -2.55 113.55 115.59 1xg8 h SER 19 Ca -0.60 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 59.94 1xg8 h SER 19 Cb 1.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1xg8 h SER 19 CO 0.53 0.81 -0.39 0.11 -1.14 0.00 0.00 176.83 176.75 1xg8 h LYS 20 N 0.51 0.37 0.19 3.45 1.57 -1.93 -1.33 116.57 119.40 1xg8 h LYS 20 Ca 0.11 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xg8 h LYS 20 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xg8 h LYS 20 CO 0.02 0.71 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.07 1xg8 h ASP 21 N 0.31 -0.22 -0.58 0.86 3.32 -1.90 -0.33 116.42 117.88 1xg8 h ASP 21 Ca 0.03 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1xg8 h ASP 21 Cb 0.83 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 1xg8 h ASP 21 CO 0.07 -0.09 0.31 0.40 -1.72 0.00 0.00 179.24 178.21 1xg8 h ILE 22 N -0.34 0.97 -0.73 0.35 1.08 -1.37 0.28 117.51 117.76 1xg8 h ILE 22 Ca -0.03 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1xg8 h ILE 22 Cb 0.26 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1xg8 h ILE 22 CO 0.04 0.11 0.34 0.22 -0.69 0.00 0.00 178.15 178.17 1xg8 h TYR 23 N 0.60 1.04 0.00 1.37 5.03 -1.03 0.33 116.97 124.30 1xg8 h TYR 23 Ca 0.26 -0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.35 1xg8 h TYR 23 Cb 0.14 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 1xg8 h TYR 23 CO -0.09 0.76 -0.81 -0.44 -1.32 0.00 0.00 178.16 176.26 1xg8 h ASP 24 N 1.03 0.00 -0.02 -2.11 3.45 -0.31 -3.25 116.42 115.21 1xg8 h ASP 24 Ca 0.25 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.55 1xg8 h ASP 24 Cb 0.12 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1xg8 h ASP 24 CO -0.03 0.81 -0.61 -0.25 -1.57 0.00 0.00 179.24 177.59 1xg8 h TRP 25 N 0.00 0.64 -0.72 4.55 7.01 0.05 -3.34 115.95 124.14 1xg8 h TRP 25 Ca -0.01 -0.34 0.09 0.00 2.11 0.00 0.00 58.89 60.74 1xg8 h TRP 25 Cb 1.49 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 28.40 1xg8 h TRP 25 CO 0.00 1.15 0.37 1.25 -2.79 0.00 0.00 178.44 178.42 1xg8 h LEU 26 N -0.05 0.51 0.12 0.65 5.85 -0.44 -2.50 115.31 119.44 1xg8 h LEU 26 Ca -0.07 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xg8 h LEU 26 Cb 1.31 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1xg8 h LEU 26 CO 0.12 0.30 -0.21 1.56 -0.34 0.00 0.00 178.44 179.87 1xg8 h GLN 27 N 0.65 -0.39 -0.47 1.25 4.20 -1.67 -1.98 115.11 116.69 1xg8 h GLN 27 Ca 0.35 0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.97 1xg8 h GLN 27 Cb 0.33 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1xg8 h GLN 27 CO -0.25 -0.26 -0.14 -1.35 -0.67 0.00 0.00 178.83 176.16 1xg8 h PRO 28 N -0.40 0.93 -0.31 1.46 0.11 -1.69 -2.50 132.00 129.60 1xg8 h PRO 28 Ca 0.03 -0.37 0.06 0.00 0.11 0.00 0.00 66.00 65.82 1xg8 h PRO 28 Cb 0.42 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.40 1xg8 h PRO 28 CO -0.11 1.03 -0.44 1.25 -0.21 0.00 0.00 178.00 179.52 1xg8 h LEU 29 N 0.78 -1.44 -0.68 2.35 5.85 -1.27 -1.06 115.31 119.85 1xg8 h LEU 29 Ca 0.12 0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1xg8 h LEU 29 Cb 0.70 0.61 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1xg8 h LEU 29 CO 0.05 -0.39 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.51 1xg8 h LEU 30 N -0.39 0.85 -2.19 2.25 3.38 -1.36 -1.14 115.31 116.70 1xg8 h LEU 30 Ca 0.11 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xg8 h LEU 30 Cb 0.60 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xg8 h LEU 30 CO -0.52 1.02 -0.02 0.50 0.09 0.00 0.00 178.44 179.51 1xg8 h LYS 31 N 0.74 0.00 0.09 1.13 3.64 -0.96 0.18 116.57 121.39 1xg8 h LYS 31 Ca 0.11 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.19 1xg8 h LYS 31 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1xg8 h LYS 31 CO 0.05 0.02 -1.64 -0.09 -2.27 0.00 0.00 179.45 175.53 1xg8 h ARG 32 N 0.00 0.19 0.00 1.90 2.43 -0.79 -3.30 114.38 114.81 1xg8 h ARG 32 Ca -0.00 -0.32 -0.21 0.00 -0.81 0.00 0.00 59.98 58.64 1xg8 h ARG 32 Cb 0.04 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1xg8 h ARG 32 CO 0.00 1.15 -1.08 0.87 -1.51 0.00 0.00 179.97 179.41 1xg8 h LYS 33 N -0.33 0.00 -2.11 0.20 1.57 -1.11 -3.38 116.57 111.41 1xg8 h LYS 33 Ca -0.37 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.83 1xg8 h LYS 33 Cb 1.76 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.66 1xg8 h LYS 33 CO -0.00 0.86 -0.84 0.66 -0.57 0.00 0.00 179.45 179.56 1xg8 n TYR 34 N -3.28 1.91 -0.22 -1.35 4.02 0.62 -4.94 117.16 113.92 1xg8 n TYR 34 Ca -0.03 -3.89 0.13 0.00 -0.01 0.00 0.00 57.90 54.10 1xg8 n TYR 34 Cb 0.94 -0.46 0.43 0.00 -0.02 0.00 0.00 39.34 40.22 1xg8 n TYR 34 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xg8 h PRO 35 N 3.93 0.56 -0.09 -0.72 0.11 -1.70 -2.12 132.00 131.98 1xg8 h PRO 35 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1xg8 h PRO 35 Cb 0.75 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1xg8 h PRO 35 CO 0.67 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 178.92 1xg8 n ASN 36 N -4.52 1.60 -4.74 -2.05 3.02 -1.26 -4.85 115.26 102.46 1xg8 n ASN 36 Ca 0.15 -1.60 -0.34 0.00 -0.03 0.00 0.00 54.58 52.76 1xg8 n ASN 36 Cb 0.47 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.51 1xg8 n ASN 36 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xg8 s ILE 37 N -1.90 4.60 -0.18 2.41 1.01 -0.80 -5.01 121.20 121.34 1xg8 s ILE 37 Ca 0.35 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 1xg8 s ILE 37 Cb 0.19 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1xg8 s ILE 37 CO 0.30 0.49 0.07 -0.94 0.00 0.00 0.00 174.94 174.86 1xg8 s SER 38 N -1.29 5.73 0.09 3.58 1.04 -1.26 -4.98 113.70 116.61 1xg8 s SER 38 Ca 0.18 0.12 0.08 0.00 0.48 0.00 0.00 55.95 56.81 1xg8 s SER 38 Cb -0.12 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 1xg8 s SER 38 CO 0.08 0.19 -0.22 -0.36 0.98 0.00 0.00 173.24 173.91 1xg8 s PHE 39 N 0.27 1.85 -0.10 5.02 0.08 -1.26 0.39 117.98 124.24 1xg8 s PHE 39 Ca 0.04 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1xg8 s PHE 39 Cb -0.12 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 1xg8 s PHE 39 CO -0.00 0.19 -0.18 -1.59 -0.10 0.00 0.00 175.22 173.54 1xg8 s LYS 40 N -1.72 2.41 -0.03 0.44 -2.85 0.09 -4.81 119.74 113.27 1xg8 s LYS 40 Ca 0.07 -0.65 -0.01 0.00 -1.00 0.00 0.00 55.97 54.39 1xg8 s LYS 40 Cb -0.10 -1.94 -0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1xg8 s LYS 40 CO 0.04 0.03 0.06 0.71 0.10 0.00 0.00 175.35 176.29 1xg8 s TYR 41 N 0.71 3.26 -0.03 1.78 1.51 -1.26 -0.89 117.35 122.42 1xg8 s TYR 41 Ca -0.12 0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1xg8 s TYR 41 Cb -0.16 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1xg8 s TYR 41 CO 0.03 0.54 0.08 0.99 -1.11 0.00 0.00 175.55 176.08 1xg8 s THR 42 N -1.11 -0.00 -0.13 -0.71 2.01 -0.57 -4.98 115.64 110.14 1xg8 s THR 42 Ca 0.20 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1xg8 s THR 42 Cb -0.12 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1xg8 s THR 42 CO 0.11 0.00 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.38 1xg8 s TYR 43 N 0.05 2.71 -0.24 4.92 5.04 -1.26 -1.40 117.35 127.16 1xg8 s TYR 43 Ca -0.00 -0.96 0.03 0.00 -2.44 0.00 0.00 57.07 53.69 1xg8 s TYR 43 Cb -0.01 -1.81 0.05 0.00 0.35 0.00 0.00 41.96 40.54 1xg8 s TYR 43 CO 0.00 -0.40 -0.12 0.42 -1.34 0.00 0.00 175.55 174.11 1xg8 s ILE 44 N 0.53 2.11 -0.45 3.14 1.01 -0.36 -4.98 121.20 122.21 1xg8 s ILE 44 Ca -0.11 -1.49 -0.29 0.00 0.00 0.00 0.00 60.65 58.75 1xg8 s ILE 44 Cb -0.16 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1xg8 s ILE 44 CO 0.04 0.07 1.11 -0.62 0.00 0.00 0.00 174.94 175.54 1xg8 s ASP 45 N 1.15 6.67 0.00 3.58 -1.08 -1.26 -1.09 116.67 124.65 1xg8 s ASP 45 Ca -0.06 0.54 0.02 0.00 -0.52 0.00 0.00 52.55 52.53 1xg8 s ASP 45 Cb -0.19 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 38.86 1xg8 s ASP 45 CO -0.06 -1.17 0.44 2.30 0.52 0.00 0.00 175.17 177.19 1xg8 n ILE 46 N 6.64 0.00 0.00 4.11 -5.35 0.63 -2.94 119.36 122.45 1xg8 n ILE 46 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 1xg8 n ILE 46 Cb 0.49 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 1xg8 n ILE 46 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xg8 n THR 47 N -0.77 0.00 -0.21 7.28 -1.04 -1.26 -4.73 114.28 113.56 1xg8 n THR 47 Ca 0.02 0.47 0.01 0.00 -2.04 0.00 0.00 64.05 62.51 1xg8 n THR 47 Cb 0.01 -1.47 0.05 0.00 -1.82 0.00 0.00 70.33 67.09 1xg8 n THR 47 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xg8 n LYS 48 N -2.47 -0.09 -1.51 -2.82 5.02 -1.15 -5.24 118.16 109.89 1xg8 n LYS 48 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1xg8 n LYS 48 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1xg8 n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xg8 n ASP 49 N -4.86 -0.20 0.00 4.39 10.43 -1.25 -5.14 116.55 119.93 1xg8 n ASP 49 Ca 0.07 1.01 0.00 0.00 2.57 0.00 0.00 54.79 58.44 1xg8 n ASP 49 Cb 0.25 -1.58 0.00 0.00 1.84 0.00 0.00 41.12 41.63 1xg8 n ASP 49 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1xg8 n LEU 53 N 0.69 0.00 -4.93 0.64 4.77 -1.26 -5.22 117.00 111.69 1xg8 n LEU 53 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1xg8 n LEU 53 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1xg8 n LEU 53 CO 0.00 0.00 0.54 0.42 -1.33 0.00 0.00 177.39 177.02 1xg8 s THR 54 N -0.36 2.87 0.50 -5.08 -4.23 -1.26 -4.85 115.64 103.23 1xg8 s THR 54 Ca 0.00 -0.24 0.29 0.00 -1.18 0.00 0.00 61.69 60.56 1xg8 s THR 54 Cb 0.00 -3.18 0.33 0.00 1.34 0.00 0.00 72.50 70.99 1xg8 s THR 54 CO 0.00 -0.18 2.17 -0.78 -0.54 0.00 0.00 174.62 175.29 1xg8 h ASP 55 N -0.32 0.00 0.13 3.99 3.58 -2.04 -0.28 116.42 121.48 1xg8 h ASP 55 Ca -0.44 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 56.79 1xg8 h ASP 55 Cb 1.29 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.35 1xg8 h ASP 55 CO 0.59 0.06 -1.00 0.45 -2.88 0.00 0.00 179.24 176.47 1xg8 h HIS 56 N 0.00 0.51 0.27 0.28 3.86 -1.97 -0.80 115.15 117.30 1xg8 h HIS 56 Ca -0.00 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 1xg8 h HIS 56 Cb 0.17 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1xg8 h HIS 56 CO 0.00 1.38 -0.46 -0.44 0.86 0.00 0.00 177.93 179.28 1xg8 h ASP 57 N -0.36 -1.31 -0.87 2.45 3.32 -1.78 0.17 116.42 118.04 1xg8 h ASP 57 Ca -0.19 0.13 0.12 0.00 0.02 0.00 0.00 57.03 57.10 1xg8 h ASP 57 Cb 1.68 0.47 -0.07 0.00 0.22 0.00 0.00 39.33 41.62 1xg8 h ASP 57 CO 0.12 -0.56 0.56 0.25 -1.72 0.00 0.00 179.24 177.90 1xg8 h LEU 58 N -0.80 0.71 -0.58 1.55 7.12 -1.19 0.29 115.31 122.42 1xg8 h LEU 58 Ca -0.02 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 1xg8 h LEU 58 Cb 0.76 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.74 1xg8 h LEU 58 CO -0.17 0.40 0.30 -0.61 -0.13 0.00 0.00 178.44 178.23 1xg8 h GLN 59 N 0.77 0.83 0.03 1.25 4.15 0.46 -1.34 115.11 121.25 1xg8 h GLN 59 Ca 0.42 -0.11 -0.25 0.00 0.77 0.00 0.00 58.65 59.48 1xg8 h GLN 59 Cb 0.55 -0.16 0.02 0.00 0.21 0.00 0.00 27.48 28.11 1xg8 h GLN 59 CO -0.18 0.65 -0.99 0.74 -1.93 0.00 0.00 178.83 177.12 1xg8 h PHE 60 N 0.79 0.95 -0.49 3.99 0.04 0.13 -3.18 116.94 119.16 1xg8 h PHE 60 Ca 0.20 -0.53 0.06 0.00 2.80 0.00 0.00 57.97 60.50 1xg8 h PHE 60 Cb 0.08 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1xg8 h PHE 60 CO -0.01 1.37 0.33 0.82 -0.60 0.00 0.00 178.31 180.22 1xg8 h ILE 61 N 0.26 0.97 -0.30 -0.55 2.04 -0.90 -1.48 117.51 117.55 1xg8 h ILE 61 Ca -0.13 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1xg8 h ILE 61 Cb 1.66 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1xg8 h ILE 61 CO 0.19 0.08 0.03 -0.33 0.00 0.00 0.00 178.15 178.12 1xg8 h GLU 62 N 0.42 0.50 -0.13 2.37 4.39 -1.25 -0.49 114.58 120.39 1xg8 h GLU 62 Ca 0.21 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1xg8 h GLU 62 Cb 0.31 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1xg8 h GLU 62 CO -0.05 0.63 -0.19 0.00 -1.16 0.00 0.00 179.01 178.24 1xg8 h ARG 63 N 0.31 0.22 -0.07 2.33 3.08 -1.29 -1.14 114.38 117.82 1xg8 h ARG 63 Ca 0.09 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1xg8 h ARG 63 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1xg8 h ARG 63 CO 0.01 0.41 -0.23 0.82 -1.07 0.00 0.00 179.97 179.91 1xg8 h ILE 64 N 0.21 1.43 0.00 2.04 2.04 -1.16 0.19 117.51 122.25 1xg8 h ILE 64 Ca 0.04 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 1xg8 h ILE 64 Cb 0.45 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1xg8 h ILE 64 CO 0.03 0.46 -0.04 -0.33 0.00 0.00 0.00 178.15 178.27 1xg8 h GLU 65 N -0.23 0.00 -0.64 2.37 4.39 -0.67 0.19 114.58 119.98 1xg8 h GLU 65 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1xg8 h GLU 65 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1xg8 h GLU 65 CO 0.05 0.04 0.00 1.04 -1.16 0.00 0.00 179.01 178.98 1xg8 n GLN 66 N -3.59 4.08 -0.85 2.33 1.13 -0.47 -4.93 117.38 115.08 1xg8 n GLN 66 Ca -0.02 -2.91 0.00 0.00 -1.94 0.00 0.00 57.00 52.12 1xg8 n GLN 66 Cb 0.15 -2.02 0.00 0.00 0.11 0.00 0.00 30.24 28.48 1xg8 n GLN 66 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xg8 n ASP 67 N 0.96 -3.09 0.12 1.08 5.75 0.05 -4.86 116.55 116.56 1xg8 n ASP 67 Ca 0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.91 1xg8 n ASP 67 Cb 0.98 -2.34 -0.08 0.00 -1.03 0.00 0.00 41.12 38.65 1xg8 n ASP 67 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xg8 h GLU 68 N 0.49 -0.30 -6.20 0.11 4.81 -0.86 -3.44 114.58 109.19 1xg8 h GLU 68 Ca 0.00 0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.71 1xg8 h GLU 68 Cb 0.43 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 1xg8 h GLU 68 CO 0.00 0.03 -0.55 -0.51 -0.73 0.00 0.00 179.01 177.25 1xg8 s LEU 69 N -9.49 3.77 0.54 1.64 1.43 -0.67 -4.99 118.68 110.90 1xg8 s LEU 69 Ca -0.14 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1xg8 s LEU 69 Cb 0.02 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.96 1xg8 s LEU 69 CO 0.57 0.02 0.59 -0.36 0.23 0.00 0.00 176.35 177.40 1xg8 s PHE 70 N -1.95 1.70 0.04 0.29 2.99 -1.26 -4.17 117.98 115.62 1xg8 s PHE 70 Ca 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 56.93 56.52 1xg8 s PHE 70 Cb -0.09 -2.10 -0.03 0.00 0.00 0.00 0.00 43.02 40.81 1xg8 s PHE 70 CO 0.24 -0.75 -0.04 1.52 -0.00 0.00 0.00 175.22 176.19 1xg8 s TYR 71 N -2.67 0.45 0.38 0.36 -0.85 -1.26 -3.88 117.35 109.88 1xg8 s TYR 71 Ca 0.49 -0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 56.09 1xg8 s TYR 71 Cb -0.04 -0.31 -0.11 0.00 0.38 0.00 0.00 41.96 41.88 1xg8 s TYR 71 CO 0.31 -0.22 1.08 -0.35 -1.52 0.00 0.00 175.55 174.84 1xg8 n PRO 72 N 1.05 1.52 -5.06 -3.49 -0.04 -1.26 -4.32 135.00 123.40 1xg8 n PRO 72 Ca -0.20 0.54 -0.32 0.00 -0.04 0.00 0.00 63.50 63.48 1xg8 n PRO 72 Cb 0.57 -2.08 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1xg8 n PRO 72 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xg8 s LEU 73 N -0.51 2.16 -0.12 1.53 2.96 0.11 0.34 118.68 125.15 1xg8 s LEU 73 Ca 0.61 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1xg8 s LEU 73 Cb -0.58 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1xg8 s LEU 73 CO 0.58 0.14 -0.05 -0.63 -1.32 0.00 0.00 176.35 175.07 1xg8 s ILE 74 N 0.44 3.78 0.02 6.68 1.01 0.24 -0.37 121.20 133.01 1xg8 s ILE 74 Ca -0.16 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1xg8 s ILE 74 Cb -0.17 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1xg8 s ILE 74 CO 0.06 0.53 -0.07 0.42 0.00 0.00 0.00 174.94 175.89 1xg8 s THR 75 N -0.05 0.49 -0.17 2.92 -4.23 -0.27 -1.70 115.64 112.63 1xg8 s THR 75 Ca 0.01 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1xg8 s THR 75 Cb -0.13 -0.51 0.04 0.00 1.34 0.00 0.00 72.50 73.24 1xg8 s THR 75 CO 0.03 -0.19 -0.06 -0.32 -0.54 0.00 0.00 174.62 173.54 1xg8 s MET 76 N -1.02 1.52 -1.19 3.99 1.75 -0.75 -0.44 119.30 123.15 1xg8 s MET 76 Ca -0.05 -0.55 -0.06 0.00 -1.25 0.00 0.00 55.69 53.77 1xg8 s MET 76 Cb -0.07 -2.05 0.01 0.00 2.84 0.00 0.00 34.83 35.56 1xg8 s MET 76 CO 0.00 -0.42 0.81 0.09 -0.65 0.00 0.00 175.02 174.85 1xg8 n ASN 77 N 4.85 -5.57 -0.09 1.11 5.03 0.26 -2.29 115.26 118.56 1xg8 n ASN 77 Ca -0.12 -0.37 -0.01 0.00 0.87 0.00 0.00 54.58 54.94 1xg8 n ASN 77 Cb 0.48 -4.26 -0.01 0.00 -1.02 0.00 0.00 39.78 34.97 1xg8 n ASN 77 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1xg8 n ASP 78 N -2.10 -4.59 -4.83 6.41 8.00 -1.26 -5.01 116.55 113.17 1xg8 n ASP 78 Ca -0.03 0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 1xg8 n ASP 78 Cb 0.57 -2.20 -0.07 0.00 -0.02 0.00 0.00 41.12 39.40 1xg8 n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xg8 s GLU 79 N -1.27 3.32 0.14 -1.24 2.02 -0.97 -5.06 118.70 115.64 1xg8 s GLU 79 Ca 0.00 -0.20 -0.31 0.00 0.02 0.00 0.00 54.97 54.47 1xg8 s GLU 79 Cb 0.00 -3.09 -0.09 0.00 0.10 0.00 0.00 34.13 31.05 1xg8 s GLU 79 CO 0.00 0.76 1.53 -0.47 0.02 0.00 0.00 175.26 177.10 1xg8 s TYR 80 N -0.99 3.05 0.02 1.61 5.04 -1.26 -1.81 117.35 123.00 1xg8 s TYR 80 Ca 0.15 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 55.43 1xg8 s TYR 80 Cb -0.12 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.31 1xg8 s TYR 80 CO 0.04 -3.20 -0.06 0.28 -1.34 0.00 0.00 175.55 171.27 1xg8 n VAL 81 N 4.04 0.96 -3.57 3.14 0.31 -0.69 -4.92 118.33 117.60 1xg8 n VAL 81 Ca 0.13 0.23 -0.17 0.00 -0.01 0.00 0.00 64.34 64.53 1xg8 n VAL 81 Cb 0.40 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 1xg8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xg8 s ALA 82 N -2.13 -1.62 -0.02 3.52 0.00 -1.10 -4.92 121.76 115.49 1xg8 s ALA 82 Ca -0.05 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1xg8 s ALA 82 Cb 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1xg8 s ALA 82 CO 0.07 -0.35 0.05 0.16 0.00 0.00 0.00 175.76 175.69 1xg8 s ASP 83 N -0.93 -0.04 1.20 0.00 -4.77 -1.26 0.83 116.67 111.69 1xg8 s ASP 83 Ca -0.09 0.09 0.00 0.00 -3.30 0.00 0.00 52.55 49.25 1xg8 s ASP 83 Cb -0.01 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 1xg8 s ASP 83 CO 0.08 -0.02 0.00 0.61 0.70 0.00 0.00 175.17 176.53 1xg8 n GLY 84 N 3.12 1.67 3.68 2.12 0.00 0.15 -4.65 105.19 111.28 1xg8 n GLY 84 Ca -0.13 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1xg8 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xg8 s TYR 85 N 0.00 3.18 -0.09 1.61 2.02 -1.26 -4.46 117.35 118.35 1xg8 s TYR 85 Ca 0.00 1.26 0.03 0.00 -0.37 0.00 0.00 57.07 57.98 1xg8 s TYR 85 Cb 0.00 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1xg8 s TYR 85 CO 0.00 -1.14 -0.16 0.42 -1.57 0.00 0.00 175.55 173.10 1xg8 s ILE 86 N 2.59 1.51 -0.01 2.71 1.01 -1.26 -5.08 121.20 122.67 1xg8 s ILE 86 Ca 0.53 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1xg8 s ILE 86 Cb -0.22 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1xg8 s ILE 86 CO 0.18 0.44 0.14 -1.10 0.00 0.00 0.00 174.94 174.60 1xg8 s GLN 87 N 0.67 3.29 0.28 2.79 -0.21 -1.26 -5.01 119.66 120.21 1xg8 s GLN 87 Ca -0.13 -0.38 -0.02 0.00 0.02 0.00 0.00 55.36 54.85 1xg8 s GLN 87 Cb -0.16 -3.00 0.44 0.00 1.00 0.00 0.00 33.01 31.29 1xg8 s GLN 87 CO 0.04 0.67 1.90 1.15 -2.12 0.00 0.00 175.29 176.93 1xg8 h THR 88 N 3.00 1.11 -0.36 -0.19 2.02 -2.00 -1.93 112.91 114.56 1xg8 h THR 88 Ca -0.49 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1xg8 h THR 88 Cb 1.19 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1xg8 h THR 88 CO 0.66 0.21 0.14 0.11 0.37 0.00 0.00 175.52 177.01 1xg8 h LYS 89 N 1.14 0.50 -0.71 6.66 1.79 -1.98 -1.06 116.57 122.91 1xg8 h LYS 89 Ca 0.40 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.80 1xg8 h LYS 89 Cb 0.13 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1xg8 h LYS 89 CO -0.15 0.42 0.42 1.96 -1.08 0.00 0.00 179.45 181.02 1xg8 h GLN 90 N 0.50 0.97 -0.05 3.15 4.20 -1.76 0.49 115.11 122.61 1xg8 h GLN 90 Ca 0.12 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1xg8 h GLN 90 Cb 0.11 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1xg8 h GLN 90 CO -0.01 0.70 -0.03 0.82 -0.67 0.00 0.00 178.83 179.64 1xg8 h ILE 91 N 0.97 1.33 -0.27 2.54 1.08 -1.37 -2.74 117.51 119.05 1xg8 h ILE 91 Ca 0.25 -1.05 -0.08 0.00 -0.39 0.00 0.00 64.86 63.59 1xg8 h ILE 91 Cb -0.01 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1xg8 h ILE 91 CO -0.05 0.29 -0.16 0.71 -0.69 0.00 0.00 178.15 178.25 1xg8 h THR 92 N -0.29 1.30 0.00 -0.27 1.35 -1.01 -2.86 112.91 111.13 1xg8 h THR 92 Ca 0.01 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.57 1xg8 h THR 92 Cb 0.47 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1xg8 h THR 92 CO 0.01 0.40 -0.19 0.03 -0.25 0.00 0.00 175.52 175.52 1xg8 h ARG 93 N 0.32 0.00 -0.29 4.72 3.08 -0.13 0.41 114.38 122.50 1xg8 h ARG 93 Ca 0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1xg8 h ARG 93 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1xg8 h ARG 93 CO 0.04 0.19 -0.09 0.35 -1.07 0.00 0.00 179.97 179.40 1xg8 h PHE 94 N 0.00 0.65 -0.01 3.04 3.57 -1.38 -1.32 116.94 121.49 1xg8 h PHE 94 Ca -0.00 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1xg8 h PHE 94 Cb 0.35 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1xg8 h PHE 94 CO 0.00 0.78 -0.06 0.82 -2.23 0.00 0.00 178.31 177.62 1xg8 h ILE 95 N 0.33 1.52 -0.77 1.41 2.04 -1.21 -3.16 117.51 117.66 1xg8 h ILE 95 Ca 0.07 -1.61 0.14 0.00 1.00 0.00 0.00 64.86 64.46 1xg8 h ILE 95 Cb 0.58 2.56 -0.09 0.00 -0.74 0.00 0.00 36.82 39.13 1xg8 h ILE 95 CO 0.03 0.43 0.35 0.44 0.00 0.00 0.00 178.15 179.40 1xg8 h ASP 96 N -0.58 0.38 -0.96 1.72 3.32 -0.25 0.10 116.42 120.15 1xg8 h ASP 96 Ca -0.00 0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.23 1xg8 h ASP 96 Cb 0.73 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 1xg8 h ASP 96 CO 0.01 0.16 0.61 -0.61 -1.72 0.00 0.00 179.24 177.69 1xg8 h GLN 97 N 0.51 1.01 -0.13 3.56 -0.00 -1.29 -0.48 115.11 118.29 1xg8 h GLN 97 Ca 0.42 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.98 1xg8 h GLN 97 Cb 0.60 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.85 1xg8 h GLN 97 CO -0.37 0.67 -0.03 0.87 0.00 0.00 0.00 178.83 179.96 1xg8 h LYS 98 N 1.04 0.26 -0.56 1.69 1.57 -0.81 -1.62 116.57 118.13 1xg8 h LYS 98 Ca 0.44 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 59.19 1xg8 h LYS 98 Cb 0.30 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1xg8 h LYS 98 CO -0.21 0.55 0.24 -0.07 -0.57 0.00 0.00 179.45 179.39 1xg8 h LEU 99 N -0.06 0.29 -0.58 2.94 3.38 -0.66 0.61 115.31 121.23 1xg8 h LEU 99 Ca 0.03 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1xg8 h LEU 99 Cb 0.46 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xg8 h LEU 99 CO 0.01 0.19 -0.43 0.58 0.09 0.00 0.00 178.44 178.88 1xg8 h VAL 100 N 0.45 1.30 0.00 1.22 2.07 -1.09 -3.38 116.25 116.82 1xg8 h VAL 100 Ca 0.27 -1.61 -0.33 0.00 0.82 0.00 0.00 66.70 65.84 1xg8 h VAL 100 Cb 0.26 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1xg8 h VAL 100 CO -0.24 0.51 -2.24 0.59 0.02 0.00 0.00 177.57 176.21 1xg8 n ASN 101 N -4.02 2.26 -0.86 0.57 4.13 -0.61 -5.10 115.26 111.62 1xg8 n ASN 101 Ca -0.02 -0.08 0.12 0.00 1.68 0.00 0.00 54.58 56.28 1xg8 n ASN 101 Cb 0.54 -0.37 0.19 0.00 -1.54 0.00 0.00 39.78 38.60 1xg8 n ASN 101 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70