#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ku8 s LYS 2 N 0.00 4.14 0.61 1.61 2.20 0.10 -4.76 119.74 123.63 1ku8 s LYS 2 Ca 0.00 0.53 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 1ku8 s LYS 2 Cb 0.00 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1ku8 s LYS 2 CO 0.00 -0.34 1.10 0.00 -0.36 0.00 0.00 175.35 175.75 1ku8 s ALA 3 N 2.26 2.60 0.05 3.13 0.00 -1.26 -1.95 121.76 126.59 1ku8 s ALA 3 Ca 0.26 0.56 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 1ku8 s ALA 3 Cb -0.16 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1ku8 s ALA 3 CO 0.09 -1.01 0.18 -0.59 0.00 0.00 0.00 175.76 174.43 1ku8 s PHE 4 N -2.24 0.09 -0.28 0.00 -0.71 0.42 -4.92 117.98 110.33 1ku8 s PHE 4 Ca 0.67 -0.36 0.02 0.00 -1.04 0.00 0.00 56.93 56.22 1ku8 s PHE 4 Cb -0.20 -0.05 0.16 0.00 -1.21 0.00 0.00 43.02 41.73 1ku8 s PHE 4 CO 0.36 -0.44 0.43 0.34 -1.34 0.00 0.00 175.22 174.58 1ku8 s ASP 5 N -2.23 0.08 0.40 1.98 -1.08 -1.26 -0.64 116.67 113.92 1ku8 s ASP 5 Ca -0.03 -0.20 0.20 0.00 -0.52 0.00 0.00 52.55 52.00 1ku8 s ASP 5 Cb 0.00 1.25 0.81 0.00 -1.46 0.00 0.00 42.92 43.52 1ku8 s ASP 5 CO -0.05 -0.34 1.80 0.44 0.52 0.00 0.00 175.17 177.54 1ku8 h ASP 6 N 8.14 0.00 -2.82 -0.34 3.32 -1.67 -3.49 116.42 119.56 1ku8 h ASP 6 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ku8 h ASP 6 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ku8 h ASP 6 CO 0.25 0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 1ku8 n GLY 7 N 0.03 -1.82 3.65 2.75 0.00 -1.25 -4.97 105.19 103.58 1ku8 n GLY 7 Ca -0.01 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1ku8 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ku8 s ALA 8 N -1.50 3.20 0.00 4.61 0.00 -1.26 -3.97 121.76 122.84 1ku8 s ALA 8 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1ku8 s ALA 8 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1ku8 s ALA 8 CO 0.00 0.64 0.00 1.19 0.00 0.00 0.00 175.76 177.59 1ku8 n PHE 9 N 1.43 0.00 0.43 0.00 3.01 0.72 -5.01 117.46 118.05 1ku8 n PHE 9 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.43 1ku8 n PHE 9 Cb 0.53 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.04 1ku8 n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ku8 n THR 10 N 0.00 0.31 -3.53 4.37 -1.04 -0.22 -4.85 114.28 109.32 1ku8 n THR 10 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1ku8 n THR 10 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1ku8 n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ku8 n GLY 11 N 1.31 -1.36 3.13 3.41 0.00 -1.18 -4.94 105.19 105.55 1ku8 n GLY 11 Ca 0.01 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1ku8 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ku8 s ILE 12 N -2.97 1.51 -0.15 -0.61 1.01 -1.26 -1.27 121.20 117.45 1ku8 s ILE 12 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1ku8 s ILE 12 Cb 0.00 -1.31 -0.14 0.00 0.01 0.00 0.00 42.46 41.02 1ku8 s ILE 12 CO 0.00 0.43 -0.05 0.54 0.00 0.00 0.00 174.94 175.86 1ku8 n ARG 13 N 3.42 1.11 -3.59 2.79 1.74 -0.28 -4.78 116.66 117.07 1ku8 n ARG 13 Ca -0.20 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 56.79 1ku8 n ARG 13 Cb 0.53 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.56 1ku8 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ku8 s GLU 14 N -2.33 0.81 -0.12 5.56 2.12 -0.83 -1.42 118.70 122.49 1ku8 s GLU 14 Ca -0.15 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1ku8 s GLU 14 Cb 0.05 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.84 1ku8 s GLU 14 CO 0.47 -0.18 -0.20 0.42 -0.54 0.00 0.00 175.26 175.23 1ku8 s ILE 15 N -0.39 1.87 -0.24 -3.70 1.01 -0.29 -0.36 121.20 119.10 1ku8 s ILE 15 Ca -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1ku8 s ILE 15 Cb -0.03 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1ku8 s ILE 15 CO 0.03 0.52 -0.09 0.20 0.00 0.00 0.00 174.94 175.59 1ku8 s ASN 16 N 0.76 4.17 0.33 3.58 0.01 0.77 -0.28 114.94 124.28 1ku8 s ASN 16 Ca -0.10 -0.95 0.04 0.00 -0.71 0.00 0.00 52.86 51.15 1ku8 s ASN 16 Cb -0.16 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 1ku8 s ASN 16 CO 0.01 -0.12 0.16 -1.48 -1.51 0.00 0.00 177.10 174.16 1ku8 s LEU 17 N 1.28 1.76 0.05 0.60 0.05 -0.69 -0.62 118.68 121.10 1ku8 s LEU 17 Ca -0.01 -1.59 -0.03 0.00 0.05 0.00 0.00 54.13 52.54 1ku8 s LEU 17 Cb -0.17 0.16 -0.02 0.00 -2.05 0.00 0.00 46.19 44.11 1ku8 s LEU 17 CO -0.06 -0.90 0.04 -0.94 -0.55 0.00 0.00 176.35 173.94 1ku8 s SER 18 N -3.42 0.31 0.18 1.48 1.04 -0.88 -0.22 113.70 112.18 1ku8 s SER 18 Ca 0.34 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 1ku8 s SER 18 Cb 0.04 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.40 1ku8 s SER 18 CO 0.18 -0.55 0.47 -0.72 0.98 0.00 0.00 173.24 173.59 1ku8 s TYR 19 N -3.20 -0.06 -0.09 5.02 1.13 -0.41 -0.25 117.35 119.49 1ku8 s TYR 19 Ca 0.00 -0.28 -0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1ku8 s TYR 19 Cb 0.03 0.31 0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1ku8 s TYR 19 CO -0.07 -0.85 0.05 1.21 -2.51 0.00 0.00 175.55 173.37 1ku8 s ASN 20 N -2.88 1.70 0.50 -0.18 3.84 -1.01 -0.02 114.94 116.89 1ku8 s ASN 20 Ca 0.09 -0.20 0.20 0.00 0.21 0.00 0.00 52.86 53.16 1ku8 s ASN 20 Cb 0.00 -0.30 1.27 0.00 -0.55 0.00 0.00 41.25 41.67 1ku8 s ASN 20 CO -0.04 -0.26 2.04 0.11 -2.79 0.00 0.00 177.10 176.16 1ku8 h LYS 21 N 8.38 0.09 0.00 0.43 1.57 -1.95 0.53 116.57 125.63 1ku8 h LYS 21 Ca -0.15 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1ku8 h LYS 21 Cb 1.13 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1ku8 h LYS 21 CO 0.23 0.06 -0.15 0.93 -0.57 0.00 0.00 179.45 179.96 1ku8 h GLU 22 N 0.10 0.00 0.00 3.15 5.08 -1.99 -3.40 114.58 117.52 1ku8 h GLU 22 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ku8 h GLU 22 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ku8 h GLU 22 CO -0.02 0.15 0.00 0.25 -1.00 0.00 0.00 179.01 178.39 1ku8 n THR 23 N -3.31 0.00 -3.33 1.13 -2.24 0.16 -5.12 114.28 101.58 1ku8 n THR 23 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1ku8 n THR 23 Cb 0.38 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1ku8 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ku8 n ALA 24 N -3.00 -0.05 -1.77 6.98 0.00 -1.09 -4.79 120.51 116.79 1ku8 n ALA 24 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 1ku8 n ALA 24 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 1ku8 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ku8 s ILE 25 N -2.69 2.87 0.00 0.00 -1.09 -0.87 -2.41 121.20 117.00 1ku8 s ILE 25 Ca 0.01 0.68 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1ku8 s ILE 25 Cb -0.00 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1ku8 s ILE 25 CO 0.01 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1ku8 n GLY 26 N 0.55 0.45 3.85 6.18 0.00 0.66 -1.69 105.19 115.19 1ku8 n GLY 26 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1ku8 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ku8 s ASP 27 N 0.34 6.46 -0.18 1.61 1.01 -1.25 -4.20 116.67 120.45 1ku8 s ASP 27 Ca 0.00 1.52 -0.08 0.00 0.71 0.00 0.00 52.55 54.70 1ku8 s ASP 27 Cb 0.00 -2.50 0.08 0.00 1.01 0.00 0.00 42.92 41.51 1ku8 s ASP 27 CO 0.00 -0.71 0.41 0.12 0.21 0.00 0.00 175.17 175.20 1ku8 s PHE 28 N -2.82 -0.70 -0.12 4.23 5.36 -0.74 -2.07 117.98 121.13 1ku8 s PHE 28 Ca 0.58 1.40 -0.13 0.00 -0.96 0.00 0.00 56.93 57.82 1ku8 s PHE 28 Cb -0.10 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1ku8 s PHE 28 CO 0.39 -0.42 0.36 -1.14 -1.46 0.00 0.00 175.22 172.95 1ku8 s GLN 29 N 2.06 0.44 -0.01 10.12 -0.44 0.21 -1.71 119.66 130.33 1ku8 s GLN 29 Ca -0.05 0.44 0.04 0.00 -2.50 0.00 0.00 55.36 53.29 1ku8 s GLN 29 Cb -0.10 0.21 -0.01 0.00 -1.64 0.00 0.00 33.01 31.47 1ku8 s GLN 29 CO -0.13 -0.06 -0.13 0.08 0.50 0.00 0.00 175.29 175.55 1ku8 s VAL 30 N 0.06 1.05 -0.39 1.34 1.01 -1.26 -0.16 120.40 122.04 1ku8 s VAL 30 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1ku8 s VAL 30 Cb -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1ku8 s VAL 30 CO 0.01 0.30 0.24 -0.69 0.00 0.00 0.00 175.10 174.95 1ku8 s VAL 31 N -0.23 4.77 0.71 2.92 1.01 0.52 -0.74 120.40 129.36 1ku8 s VAL 31 Ca 0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1ku8 s VAL 31 Cb -0.06 -3.67 0.11 0.00 0.00 0.00 0.00 36.38 32.76 1ku8 s VAL 31 CO -0.00 -0.27 0.99 -0.31 0.00 0.00 0.00 175.10 175.51 1ku8 s TYR 32 N 1.59 2.00 -0.12 5.22 1.51 0.28 -1.12 117.35 126.71 1ku8 s TYR 32 Ca 0.03 -0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1ku8 s TYR 32 Cb -0.19 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.53 1ku8 s TYR 32 CO 0.08 -1.62 -0.03 0.34 -1.11 0.00 0.00 175.55 173.21 1ku8 s ASP 33 N -4.67 4.91 -0.45 2.29 2.15 -0.39 -0.30 116.67 120.21 1ku8 s ASP 33 Ca 0.65 -0.03 0.03 0.00 0.43 0.00 0.00 52.55 53.63 1ku8 s ASP 33 Cb -0.07 -1.58 0.13 0.00 -0.30 0.00 0.00 42.92 41.10 1ku8 s ASP 33 CO 0.44 0.27 0.22 -0.22 -0.17 0.00 0.00 175.17 175.71 1ku8 s LEU 34 N -0.21 3.39 -1.46 -1.34 2.96 0.01 -1.06 118.68 120.97 1ku8 s LEU 34 Ca 0.04 -2.65 -0.09 0.00 -0.22 0.00 0.00 54.13 51.21 1ku8 s LEU 34 Cb -0.13 -1.28 0.03 0.00 0.50 0.00 0.00 46.19 45.31 1ku8 s LEU 34 CO 0.02 -0.27 0.86 0.59 -1.32 0.00 0.00 176.35 176.23 1ku8 n ASN 35 N 3.54 -5.68 0.00 3.68 5.03 -1.26 -2.45 115.26 118.12 1ku8 n ASN 35 Ca 0.06 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 55.03 1ku8 n ASN 35 Cb 0.35 -4.55 0.00 0.00 -1.02 0.00 0.00 39.78 34.56 1ku8 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ku8 n GLY 36 N -1.68 1.54 3.32 7.41 0.00 -1.26 -5.09 105.19 109.43 1ku8 n GLY 36 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1ku8 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ku8 s SER 37 N -1.74 3.09 0.14 1.61 0.01 -1.03 -5.09 113.70 110.69 1ku8 s SER 37 Ca 0.00 -0.47 -0.32 0.00 1.31 0.00 0.00 55.95 56.46 1ku8 s SER 37 Cb 0.00 -0.35 -0.12 0.00 0.21 0.00 0.00 66.02 65.76 1ku8 s SER 37 CO 0.00 0.31 1.73 -2.65 0.41 0.00 0.00 173.24 173.05 1ku8 n PRO 38 N 2.37 2.56 -3.84 12.44 -0.02 -1.26 -0.81 135.00 146.44 1ku8 n PRO 38 Ca -0.16 0.93 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1ku8 n PRO 38 Cb 0.51 -2.77 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 1ku8 n PRO 38 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ku8 s TYR 39 N 1.83 3.17 -0.64 6.00 6.14 0.59 -4.87 117.35 129.57 1ku8 s TYR 39 Ca 0.80 -1.40 -0.27 0.00 0.64 0.00 0.00 57.07 56.84 1ku8 s TYR 39 Cb -0.56 -2.18 0.03 0.00 0.42 0.00 0.00 41.96 39.67 1ku8 s TYR 39 CO 0.37 -0.69 1.20 0.08 0.64 0.00 0.00 175.55 177.15 1ku8 s VAL 40 N 1.39 3.94 0.75 3.14 1.01 -1.26 -0.55 120.40 128.82 1ku8 s VAL 40 Ca -0.01 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1ku8 s VAL 40 Cb -0.18 -4.78 0.05 0.00 0.00 0.00 0.00 36.38 31.46 1ku8 s VAL 40 CO 0.00 -1.51 1.11 -0.83 0.00 0.00 0.00 175.10 173.87 1ku8 s GLY 41 N 3.25 1.86 0.44 4.51 0.00 0.08 -4.97 107.32 112.49 1ku8 s GLY 41 Ca 0.39 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 45.29 1ku8 s GLY 41 CO 0.21 0.79 1.32 1.20 0.00 0.00 0.00 173.10 176.62 1ku8 s GLN 42 N -4.57 3.77 -0.15 2.90 -1.52 -1.26 -4.63 119.66 114.20 1ku8 s GLN 42 Ca 0.64 2.18 -0.28 0.00 -1.95 0.00 0.00 55.36 55.96 1ku8 s GLN 42 Cb -0.20 -2.63 -0.01 0.00 -0.22 0.00 0.00 33.01 29.95 1ku8 s GLN 42 CO 0.51 -0.66 0.94 1.21 -0.25 0.00 0.00 175.29 177.04 1ku8 s ASN 43 N -0.79 7.11 -0.42 5.90 3.84 -1.26 -4.58 114.94 124.74 1ku8 s ASN 43 Ca 0.60 1.37 -0.14 0.00 0.21 0.00 0.00 52.86 54.90 1ku8 s ASN 43 Cb -0.39 -2.51 0.04 0.00 -0.55 0.00 0.00 41.25 37.84 1ku8 s ASN 43 CO 0.49 -0.46 0.31 -1.00 -2.79 0.00 0.00 177.10 173.65 1ku8 s HIS 44 N 2.22 3.25 0.07 0.43 3.76 -0.69 -5.01 115.29 119.30 1ku8 s HIS 44 Ca 0.44 -0.79 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1ku8 s HIS 44 Cb -0.17 -2.74 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 1ku8 s HIS 44 CO 0.14 -0.67 0.16 0.15 -0.85 0.00 0.00 174.74 173.68 1ku8 s LYS 45 N 1.64 3.24 0.66 1.40 1.02 -1.26 -1.79 119.74 124.65 1ku8 s LYS 45 Ca 0.04 -0.53 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 1ku8 s LYS 45 Cb -0.21 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1ku8 s LYS 45 CO 0.08 0.59 1.10 0.45 -0.92 0.00 0.00 175.35 176.66 1ku8 s SER 46 N -2.46 5.13 0.33 2.83 0.15 -1.26 -4.78 113.70 113.64 1ku8 s SER 46 Ca 0.33 1.96 0.26 0.00 0.70 0.00 0.00 55.95 59.20 1ku8 s SER 46 Cb -0.13 -2.55 0.82 0.00 -1.71 0.00 0.00 66.02 62.46 1ku8 s SER 46 CO 0.26 -1.62 1.76 -0.26 1.20 0.00 0.00 173.24 174.58 1ku8 h PHE 47 N -0.05 0.00 -0.71 3.44 0.04 -1.29 -3.46 116.94 114.91 1ku8 h PHE 47 Ca -0.46 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 59.65 1ku8 h PHE 47 Cb 1.24 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.27 1ku8 h PHE 47 CO 0.55 0.00 -0.52 0.96 -0.60 0.00 0.00 178.31 178.71 1ku8 s ILE 48 N -3.27 1.44 0.00 -0.55 -4.36 -1.26 -5.04 121.20 108.16 1ku8 s ILE 48 Ca 0.07 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1ku8 s ILE 48 Cb 0.09 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1ku8 s ILE 48 CO 0.56 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.09 1ku8 n THR 49 N -1.24 0.00 0.00 8.37 -2.24 -1.26 -4.91 114.28 113.00 1ku8 n THR 49 Ca -0.14 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1ku8 n THR 49 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ku8 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ku8 n GLY 50 N 4.99 0.77 3.89 3.38 0.00 -1.26 -5.10 105.19 111.86 1ku8 n GLY 50 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ku8 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ku8 s PHE 51 N -2.00 3.58 -0.24 1.61 0.08 -1.26 -4.89 117.98 114.85 1ku8 s PHE 51 Ca 0.00 1.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.96 1ku8 s PHE 51 Cb 0.00 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 1ku8 s PHE 51 CO 0.00 -0.42 0.21 0.99 -0.10 0.00 0.00 175.22 175.90 1ku8 s THR 52 N -2.87 5.32 0.35 0.64 2.01 0.97 -4.85 115.64 117.21 1ku8 s THR 52 Ca 0.51 0.26 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 1ku8 s THR 52 Cb -0.11 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1ku8 s THR 52 CO 0.47 0.31 0.98 -2.16 -0.69 0.00 0.00 174.62 173.52 1ku8 s PRO 53 N 1.27 4.46 -0.01 4.92 0.04 -1.26 -1.29 135.00 143.12 1ku8 s PRO 53 Ca 0.09 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.53 1ku8 s PRO 53 Cb -0.14 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1ku8 s PRO 53 CO 0.06 0.15 -0.06 0.08 0.04 0.00 0.00 177.00 177.28 1ku8 s VAL 54 N -1.65 0.49 -0.11 -0.36 1.01 0.69 -4.97 120.40 115.50 1ku8 s VAL 54 Ca 0.53 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1ku8 s VAL 54 Cb -0.19 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1ku8 s VAL 54 CO 0.25 0.16 -0.11 -0.75 0.00 0.00 0.00 175.10 174.64 1ku8 s LYS 55 N 0.10 1.83 -0.46 2.72 2.20 -1.26 -1.70 119.74 123.17 1ku8 s LYS 55 Ca -0.01 -0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 1ku8 s LYS 55 Cb -0.05 -1.70 0.12 0.00 -1.51 0.00 0.00 37.83 34.68 1ku8 s LYS 55 CO -0.00 -0.17 0.29 0.42 -0.36 0.00 0.00 175.35 175.53 1ku8 s ILE 56 N 1.34 3.70 -0.49 5.43 1.01 0.62 -4.99 121.20 127.82 1ku8 s ILE 56 Ca -0.01 -2.06 -0.19 0.00 0.00 0.00 0.00 60.65 58.39 1ku8 s ILE 56 Cb -0.14 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1ku8 s ILE 56 CO -0.05 -0.75 0.57 -0.44 0.00 0.00 0.00 174.94 174.27 1ku8 s SER 57 N 2.02 6.22 0.26 3.58 0.01 -1.26 -1.14 113.70 123.39 1ku8 s SER 57 Ca 0.08 -0.90 -0.20 0.00 1.31 0.00 0.00 55.95 56.24 1ku8 s SER 57 Cb -0.24 -2.27 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 1ku8 s SER 57 CO -0.03 -0.82 0.78 -0.76 0.41 0.00 0.00 173.24 172.82 1ku8 s LEU 58 N 2.46 4.29 -1.39 2.44 1.43 -0.51 -4.97 118.68 122.43 1ku8 s LEU 58 Ca 0.14 1.50 -0.13 0.00 -1.03 0.00 0.00 54.13 54.61 1ku8 s LEU 58 Cb -0.19 -3.78 0.09 0.00 0.03 0.00 0.00 46.19 42.33 1ku8 s LEU 58 CO 0.12 -0.04 2.08 -0.67 0.23 0.00 0.00 176.35 178.07 1ku8 n ASP 59 N 0.49 4.34 -4.76 2.29 2.03 -1.26 -4.85 116.55 114.83 1ku8 n ASP 59 Ca -0.00 -2.94 -0.40 0.00 0.52 0.00 0.00 54.79 51.97 1ku8 n ASP 59 Cb 0.51 -1.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 1ku8 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ku8 s PHE 60 N 2.26 3.43 -2.57 -0.67 5.36 -1.26 -0.13 117.98 124.40 1ku8 s PHE 60 Ca 0.45 1.60 0.27 0.00 -0.96 0.00 0.00 56.93 58.29 1ku8 s PHE 60 Cb 0.12 -3.40 0.91 0.00 -0.34 0.00 0.00 43.02 40.30 1ku8 s PHE 60 CO -0.05 -0.95 1.66 -0.35 -1.46 0.00 0.00 175.22 174.08 1ku8 n PRO 61 N 1.19 1.77 -0.09 10.12 -0.04 -1.26 -4.87 135.00 141.82 1ku8 n PRO 61 Ca -0.00 -1.12 -0.02 0.00 -0.04 0.00 0.00 63.50 62.32 1ku8 n PRO 61 Cb 0.44 -1.47 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 1ku8 n PRO 61 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ku8 h SER 62 N 2.72 0.68 -3.36 3.54 0.02 -1.76 -3.42 113.55 111.97 1ku8 h SER 62 Ca 0.00 -0.11 -0.65 0.00 -0.84 0.00 0.00 61.79 60.18 1ku8 h SER 62 Cb 0.58 -0.18 -0.19 0.00 0.14 0.00 0.00 62.40 62.75 1ku8 h SER 62 CO 0.00 0.68 -0.65 -0.70 -1.14 0.00 0.00 176.83 175.02 1ku8 s GLU 63 N -5.18 3.40 0.04 3.45 2.12 0.82 -4.97 118.70 118.38 1ku8 s GLU 63 Ca -0.09 -0.48 -0.15 0.00 0.36 0.00 0.00 54.97 54.61 1ku8 s GLU 63 Cb 0.16 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.71 1ku8 s GLU 63 CO 0.79 0.42 0.33 1.52 -0.54 0.00 0.00 175.26 177.78 1ku8 s TYR 64 N -0.12 -0.14 0.20 5.30 1.13 -1.26 -4.30 117.35 118.16 1ku8 s TYR 64 Ca 0.03 0.03 -0.30 0.00 -1.41 0.00 0.00 57.07 55.42 1ku8 s TYR 64 Cb -0.13 0.13 -0.09 0.00 -1.10 0.00 0.00 41.96 40.77 1ku8 s TYR 64 CO 0.02 -0.52 1.41 0.42 -2.51 0.00 0.00 175.55 174.37 1ku8 s ILE 65 N -2.54 2.93 -0.16 -3.49 1.01 -1.26 -2.57 121.20 115.12 1ku8 s ILE 65 Ca -0.05 0.74 0.07 0.00 0.00 0.00 0.00 60.65 61.41 1ku8 s ILE 65 Cb -0.01 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 1ku8 s ILE 65 CO -0.03 0.10 0.23 0.23 0.00 0.00 0.00 174.94 175.47 1ku8 n MET 66 N 2.92 2.23 -3.63 2.79 2.81 0.11 -4.74 117.12 119.60 1ku8 n MET 66 Ca 0.08 -0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.81 1ku8 n MET 66 Cb 0.41 -1.02 -0.07 0.00 -0.71 0.00 0.00 33.22 31.83 1ku8 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ku8 s GLU 67 N -2.14 0.76 -0.09 0.03 2.12 -0.93 -0.24 118.70 118.21 1ku8 s GLU 67 Ca -0.00 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.27 1ku8 s GLU 67 Cb 0.05 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.82 1ku8 s GLU 67 CO 0.30 -0.09 -0.17 0.08 -0.54 0.00 0.00 175.26 174.84 1ku8 s VAL 68 N 0.38 1.55 0.17 3.70 1.01 -0.85 -1.08 120.40 125.29 1ku8 s VAL 68 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ku8 s VAL 68 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1ku8 s VAL 68 CO -0.01 0.45 0.11 -0.94 0.00 0.00 0.00 175.10 174.71 1ku8 s SER 69 N 0.70 0.21 0.00 3.32 1.04 -0.83 0.10 113.70 118.24 1ku8 s SER 69 Ca -0.13 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1ku8 s SER 69 Cb -0.16 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ku8 s SER 69 CO 0.03 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1ku8 n GLY 70 N -0.20 -0.97 2.98 7.32 0.00 -0.65 -0.75 105.19 112.92 1ku8 n GLY 70 Ca -0.02 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1ku8 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ku8 s TYR 71 N -3.00 0.51 0.02 1.61 1.51 -0.90 -1.75 117.35 115.36 1ku8 s TYR 71 Ca 0.00 -0.15 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1ku8 s TYR 71 Cb 0.00 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1ku8 s TYR 71 CO 0.00 -0.02 -0.22 0.95 -1.11 0.00 0.00 175.55 175.15 1ku8 s THR 72 N -0.30 2.49 0.14 -0.71 -4.23 -0.54 -0.72 115.64 111.77 1ku8 s THR 72 Ca 0.00 -1.19 -0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1ku8 s THR 72 Cb -0.03 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 71.90 1ku8 s THR 72 CO -0.00 0.41 1.09 -0.83 -0.54 0.00 0.00 174.62 174.75 1ku8 s GLY 73 N -1.17 0.04 0.05 3.99 0.00 -0.33 -0.66 107.32 109.26 1ku8 s GLY 73 Ca 0.13 -0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.40 1ku8 s GLY 73 CO 0.03 2.83 0.67 -1.31 0.00 0.00 0.00 173.10 175.31 1ku8 s ASN 74 N -3.45 7.12 -0.12 1.64 0.01 -1.26 -1.00 114.94 117.89 1ku8 s ASN 74 Ca 0.23 1.34 -0.04 0.00 -0.71 0.00 0.00 52.86 53.68 1ku8 s ASN 74 Cb -0.02 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.28 1ku8 s ASN 74 CO 0.04 0.13 0.10 -0.69 -1.51 0.00 0.00 177.10 175.17 1ku8 s VAL 75 N -0.50 -0.14 -1.46 1.60 1.01 0.32 -4.81 120.40 116.42 1ku8 s VAL 75 Ca 0.33 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1ku8 s VAL 75 Cb -0.20 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1ku8 s VAL 75 CO 0.21 -0.06 0.61 -1.20 0.00 0.00 0.00 175.10 174.65 1ku8 n SER 76 N 5.30 -5.32 0.00 3.32 7.64 -1.26 -1.57 113.62 121.72 1ku8 n SER 76 Ca -0.05 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1ku8 n SER 76 Cb 0.49 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1ku8 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ku8 n GLY 77 N -1.44 2.61 3.86 0.23 0.00 -1.26 -5.03 105.19 104.16 1ku8 n GLY 77 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1ku8 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ku8 s TYR 78 N -2.22 3.64 -0.24 1.61 2.02 -0.61 -5.01 117.35 116.54 1ku8 s TYR 78 Ca 0.00 0.77 -0.23 0.00 -0.37 0.00 0.00 57.07 57.25 1ku8 s TYR 78 Cb 0.00 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 1ku8 s TYR 78 CO 0.00 0.62 0.75 0.08 -1.57 0.00 0.00 175.55 175.43 1ku8 s VAL 79 N -1.20 4.90 0.30 0.71 1.01 -1.26 -0.52 120.40 124.35 1ku8 s VAL 79 Ca 0.25 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.67 1ku8 s VAL 79 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1ku8 s VAL 79 CO 0.13 -0.02 0.18 0.68 0.00 0.00 0.00 175.10 176.07 1ku8 s VAL 80 N 2.62 0.24 -0.45 2.92 -7.23 -0.17 -4.79 120.40 113.54 1ku8 s VAL 80 Ca 0.32 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 1ku8 s VAL 80 Cb -0.15 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ku8 s VAL 80 CO 0.08 0.00 0.76 -0.69 -0.31 0.00 0.00 175.10 174.94 1ku8 s VAL 81 N -3.61 4.68 -0.13 1.32 1.01 0.03 -1.18 120.40 122.51 1ku8 s VAL 81 Ca 0.36 0.36 0.16 0.00 0.00 0.00 0.00 61.98 62.86 1ku8 s VAL 81 Cb 0.05 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1ku8 s VAL 81 CO 0.19 -0.71 1.17 0.03 0.00 0.00 0.00 175.10 175.78 1ku8 h ARG 82 N 8.97 0.00 -3.02 2.72 3.08 -1.23 -2.32 114.38 122.58 1ku8 h ARG 82 Ca -0.25 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 1ku8 h ARG 82 Cb 1.09 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.96 1ku8 h ARG 82 CO 0.95 0.42 -0.18 0.45 -1.07 0.00 0.00 179.97 180.54 1ku8 s SER 83 N -6.16 -0.24 -0.02 7.04 0.15 -1.13 -4.02 113.70 109.33 1ku8 s SER 83 Ca 0.01 0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 1ku8 s SER 83 Cb 0.08 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1ku8 s SER 83 CO 0.78 -0.57 0.09 -0.76 1.20 0.00 0.00 173.24 173.98 1ku8 s LEU 84 N -1.71 1.69 -0.02 3.45 1.43 -0.87 -2.11 118.68 120.53 1ku8 s LEU 84 Ca -0.09 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1ku8 s LEU 84 Cb -0.02 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.63 1ku8 s LEU 84 CO 0.01 -0.18 -0.02 -0.89 0.23 0.00 0.00 176.35 175.50 1ku8 s THR 85 N -0.62 0.29 -0.25 5.49 2.01 0.07 -1.55 115.64 121.07 1ku8 s THR 85 Ca -0.07 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1ku8 s THR 85 Cb -0.04 -0.32 0.04 0.00 0.01 0.00 0.00 72.50 72.18 1ku8 s THR 85 CO 0.00 0.14 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.62 1ku8 s PHE 86 N 0.59 3.11 -0.16 4.92 0.40 0.26 -1.97 117.98 125.14 1ku8 s PHE 86 Ca -0.06 -1.87 -0.07 0.00 -0.60 0.00 0.00 56.93 54.33 1ku8 s PHE 86 Cb -0.09 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1ku8 s PHE 86 CO -0.01 -0.80 0.07 0.21 0.70 0.00 0.00 175.22 175.39 1ku8 s LYS 87 N 1.24 3.78 0.39 0.44 2.20 -0.24 -0.71 119.74 126.83 1ku8 s LYS 87 Ca -0.03 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 1ku8 s LYS 87 Cb -0.18 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1ku8 s LYS 87 CO -0.06 0.41 0.22 0.25 -0.36 0.00 0.00 175.35 175.81 1ku8 n THR 88 N 3.12 0.00 1.91 3.43 -2.24 0.27 0.04 114.28 120.80 1ku8 n THR 88 Ca -0.17 -1.64 0.12 0.00 -2.27 0.00 0.00 64.05 60.08 1ku8 n THR 88 Cb 0.53 -0.01 0.69 0.00 -2.10 0.00 0.00 70.33 69.43 1ku8 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ku8 n ASN 89 N -1.70 0.00 0.00 3.42 6.94 -1.06 -3.96 115.26 118.90 1ku8 n ASN 89 Ca -0.05 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.32 1ku8 n ASN 89 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1ku8 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ku8 n LYS 90 N -0.88 0.00 -4.00 -3.83 4.76 -1.26 -5.05 118.16 107.90 1ku8 n LYS 90 Ca 0.17 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.51 1ku8 n LYS 90 Cb 0.08 -0.89 -0.04 0.00 -1.84 0.00 0.00 35.03 32.34 1ku8 n LYS 90 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ku8 s LYS 91 N -1.87 1.76 -0.12 1.97 1.02 -1.25 -5.16 119.74 116.08 1ku8 s LYS 91 Ca 0.00 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.59 1ku8 s LYS 91 Cb 0.00 0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 1ku8 s LYS 91 CO 0.00 -0.75 -0.21 0.99 -0.92 0.00 0.00 175.35 174.46 1ku8 s THR 92 N -3.48 2.23 -0.32 2.17 2.01 -1.26 -0.57 115.64 116.42 1ku8 s THR 92 Ca 0.24 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1ku8 s THR 92 Cb -0.01 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.66 1ku8 s THR 92 CO 0.13 0.55 0.05 -0.31 -0.69 0.00 0.00 174.62 174.35 1ku8 s TYR 93 N 0.56 3.26 -1.04 4.92 1.51 0.11 -5.00 117.35 121.66 1ku8 s TYR 93 Ca -0.12 -1.65 0.00 0.00 -1.01 0.00 0.00 57.07 54.29 1ku8 s TYR 93 Cb -0.17 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1ku8 s TYR 93 CO 0.04 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.12 1ku8 n GLY 94 N 4.72 0.55 3.79 0.71 0.00 -1.26 -0.58 105.19 113.11 1ku8 n GLY 94 Ca -0.13 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.32 1ku8 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ku8 s PRO 95 N -0.61 3.40 -0.27 1.61 0.04 -1.26 -4.97 135.00 132.95 1ku8 s PRO 95 Ca 0.00 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 1ku8 s PRO 95 Cb 0.00 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1ku8 s PRO 95 CO 0.00 -0.77 -0.05 0.71 0.04 0.00 0.00 177.00 176.92 1ku8 s TYR 96 N -2.03 3.17 0.00 0.56 2.02 -0.60 -4.97 117.35 115.51 1ku8 s TYR 96 Ca 0.69 -1.84 0.00 0.00 -0.37 0.00 0.00 57.07 55.55 1ku8 s TYR 96 Cb -0.20 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1ku8 s TYR 96 CO 0.28 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 173.88 1ku8 n GLY 97 N 4.60 2.48 3.75 0.71 0.00 -1.26 -2.06 105.19 113.42 1ku8 n GLY 97 Ca -0.15 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1ku8 n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ku8 s VAL 98 N -2.42 2.84 -1.40 1.61 -7.23 -1.26 -4.76 120.40 107.79 1ku8 s VAL 98 Ca 0.00 0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 60.82 1ku8 s VAL 98 Cb 0.00 -3.47 0.08 0.00 0.56 0.00 0.00 36.38 33.54 1ku8 s VAL 98 CO 0.00 0.13 2.29 0.35 -0.31 0.00 0.00 175.10 177.56 1ku8 n THR 99 N 1.95 4.36 -4.15 5.32 -2.24 -1.26 -4.43 114.28 113.83 1ku8 n THR 99 Ca 0.04 -3.72 -0.15 0.00 -2.27 0.00 0.00 64.05 57.95 1ku8 n THR 99 Cb 0.41 -2.39 -0.13 0.00 -2.10 0.00 0.00 70.33 66.12 1ku8 n THR 99 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ku8 s SER 100 N 1.51 0.97 0.00 3.42 0.01 -1.26 -5.09 113.70 113.26 1ku8 s SER 100 Ca 0.51 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1ku8 s SER 100 Cb 0.14 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1ku8 s SER 100 CO -0.05 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1ku8 n GLY 101 N 1.97 0.39 3.62 3.44 0.00 -1.26 -4.66 105.19 108.69 1ku8 n GLY 101 Ca -0.19 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1ku8 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ku8 s THR 102 N -0.71 5.20 0.69 2.61 2.01 0.17 -4.88 115.64 120.72 1ku8 s THR 102 Ca 0.00 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 1ku8 s THR 102 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1ku8 s THR 102 CO 0.00 0.19 1.06 -2.16 -0.69 0.00 0.00 174.62 173.02 1ku8 s PRO 103 N 1.84 3.02 -0.01 4.92 0.04 -1.26 -1.46 135.00 142.09 1ku8 s PRO 103 Ca 0.15 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 1ku8 s PRO 103 Cb -0.15 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1ku8 s PRO 103 CO 0.09 -0.99 0.48 -0.59 0.04 0.00 0.00 177.00 176.03 1ku8 s PHE 104 N -3.15 -0.39 -0.20 0.56 -0.12 -0.72 -4.92 117.98 109.05 1ku8 s PHE 104 Ca 0.57 0.59 -0.20 0.00 -0.05 0.00 0.00 56.93 57.84 1ku8 s PHE 104 Cb -0.13 0.25 0.06 0.00 -0.63 0.00 0.00 43.02 42.57 1ku8 s PHE 104 CO 0.54 -0.52 0.57 0.54 -0.05 0.00 0.00 175.22 176.30 1ku8 s ASN 105 N -1.43 -0.58 -0.45 1.98 4.22 -1.26 -1.63 114.94 115.79 1ku8 s ASN 105 Ca -0.11 1.09 0.03 0.00 -2.14 0.00 0.00 52.86 51.72 1ku8 s ASN 105 Cb -0.02 1.10 0.13 0.00 1.28 0.00 0.00 41.25 43.74 1ku8 s ASN 105 CO 0.05 -0.23 0.23 -0.22 -2.04 0.00 0.00 177.10 174.89 1ku8 s LEU 106 N 0.16 3.22 0.28 3.54 2.96 0.12 -4.99 118.68 123.96 1ku8 s LEU 106 Ca -0.01 -2.65 -0.22 0.00 -0.22 0.00 0.00 54.13 51.02 1ku8 s LEU 106 Cb -0.04 -1.22 -0.09 0.00 0.50 0.00 0.00 46.19 45.34 1ku8 s LEU 106 CO 0.01 -0.27 0.83 -2.84 -1.32 0.00 0.00 176.35 172.76 1ku8 s PRO 107 N 0.28 4.40 -0.21 0.98 0.02 -1.26 -2.00 135.00 137.20 1ku8 s PRO 107 Ca 0.17 1.08 -0.00 0.00 0.02 0.00 0.00 61.00 62.26 1ku8 s PRO 107 Cb -0.24 -2.81 0.02 0.00 0.02 0.00 0.00 34.50 31.49 1ku8 s PRO 107 CO -0.02 0.32 -0.13 0.42 -0.33 0.00 0.00 177.00 177.27 1ku8 s ILE 108 N -1.60 2.50 -0.03 2.83 1.01 0.67 -4.96 121.20 121.62 1ku8 s ILE 108 Ca 0.47 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1ku8 s ILE 108 Cb -0.17 -2.16 -0.28 0.00 0.01 0.00 0.00 42.46 39.86 1ku8 s ILE 108 CO 0.22 0.39 0.74 -0.08 0.00 0.00 0.00 174.94 176.20 1ku8 h GLU 109 N 7.97 0.28 -2.90 2.79 4.81 -1.97 -3.46 114.58 122.10 1ku8 h GLU 109 Ca -0.40 -0.47 -0.17 0.00 -0.13 0.00 0.00 59.36 58.19 1ku8 h GLU 109 Cb 1.13 0.18 -0.29 0.00 0.63 0.00 0.00 28.75 30.39 1ku8 h GLU 109 CO 0.60 1.14 -0.43 1.21 -0.73 0.00 0.00 179.01 180.80 1ku8 s ASN 110 N -7.02 -0.31 0.00 1.04 3.04 -1.26 -5.14 114.94 105.30 1ku8 s ASN 110 Ca -0.12 0.64 0.00 0.00 0.04 0.00 0.00 52.86 53.42 1ku8 s ASN 110 Cb 0.06 0.54 0.00 0.00 -1.54 0.00 0.00 41.25 40.32 1ku8 s ASN 110 CO 0.84 -0.18 0.00 0.61 -3.04 0.00 0.00 177.10 175.33 1ku8 n GLY 111 N 4.32 0.73 3.02 1.21 0.00 -1.26 -5.00 105.19 108.22 1ku8 n GLY 111 Ca -0.24 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.39 1ku8 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ku8 s LEU 112 N 0.00 1.87 -0.14 0.99 1.43 0.43 -4.98 118.68 118.27 1ku8 s LEU 112 Ca 0.00 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 1ku8 s LEU 112 Cb 0.00 0.36 -0.01 0.00 0.03 0.00 0.00 46.19 46.56 1ku8 s LEU 112 CO 0.00 -0.27 0.88 -0.63 0.23 0.00 0.00 176.35 176.56 1ku8 s ILE 113 N -1.13 4.86 -0.03 -0.59 1.01 -1.26 -1.02 121.20 123.03 1ku8 s ILE 113 Ca -0.12 1.76 0.05 0.00 0.00 0.00 0.00 60.65 62.34 1ku8 s ILE 113 Cb -0.07 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.28 1ku8 s ILE 113 CO 0.00 0.03 0.97 1.33 0.00 0.00 0.00 174.94 177.27 1ku8 n VAL 114 N 4.62 1.01 0.00 2.92 0.24 0.35 -4.49 118.33 122.99 1ku8 n VAL 114 Ca 0.06 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 1ku8 n VAL 114 Cb 0.49 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1ku8 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ku8 n GLY 115 N -0.64 1.22 3.14 7.63 0.00 -1.23 -0.20 105.19 115.11 1ku8 n GLY 115 Ca 0.04 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 1ku8 n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ku8 s PHE 116 N -2.00 0.98 0.13 1.61 0.08 -1.25 -1.19 117.98 116.34 1ku8 s PHE 116 Ca 0.00 -0.54 -0.09 0.00 0.12 0.00 0.00 56.93 56.42 1ku8 s PHE 116 Cb 0.00 -0.56 -0.00 0.00 -0.57 0.00 0.00 43.02 41.89 1ku8 s PHE 116 CO 0.00 -0.01 0.24 -1.59 -0.10 0.00 0.00 175.22 173.76 1ku8 s LYS 117 N -2.04 1.00 0.00 0.44 -2.85 -0.84 -1.51 119.74 113.94 1ku8 s LYS 117 Ca -0.02 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 1ku8 s LYS 117 Cb -0.08 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1ku8 s LYS 117 CO 0.01 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.52 1ku8 n GLY 118 N -0.14 -0.64 3.58 0.59 0.00 0.19 -0.92 105.19 107.85 1ku8 n GLY 118 Ca -0.11 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1ku8 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ku8 s SER 119 N -4.00 -0.76 -0.04 1.61 0.15 -0.93 -0.44 113.70 109.29 1ku8 s SER 119 Ca 0.00 1.38 0.01 0.00 0.70 0.00 0.00 55.95 58.03 1ku8 s SER 119 Cb 0.00 1.35 0.02 0.00 -1.71 0.00 0.00 66.02 65.68 1ku8 s SER 119 CO 0.00 -0.23 -0.03 -0.63 1.20 0.00 0.00 173.24 173.55 1ku8 s ILE 120 N 0.76 0.45 0.00 6.45 1.01 -0.82 0.11 121.20 129.16 1ku8 s ILE 120 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1ku8 s ILE 120 Cb -0.05 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1ku8 s ILE 120 CO -0.06 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1ku8 n GLY 121 N 4.19 1.46 0.17 6.18 0.00 -1.26 -0.72 105.19 115.20 1ku8 n GLY 121 Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1ku8 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ku8 h TYR 122 N 0.00 0.30 -4.03 1.61 -1.99 -1.93 -0.47 116.97 110.45 1ku8 h TYR 122 Ca 0.00 -0.11 -0.29 0.00 2.00 0.00 0.00 58.73 60.33 1ku8 h TYR 122 Cb 0.00 -0.06 -0.15 0.00 2.00 0.00 0.00 36.73 38.53 1ku8 h TYR 122 CO 0.00 0.75 -0.63 -1.58 -0.00 0.00 0.00 178.16 176.70 1ku8 s TRP 123 N -3.83 1.30 -0.25 4.88 0.51 -1.26 -4.44 118.94 115.85 1ku8 s TRP 123 Ca -0.04 -1.20 -0.29 0.00 -2.12 0.00 0.00 56.10 52.46 1ku8 s TRP 123 Cb 0.12 -0.73 -0.03 0.00 -0.81 0.00 0.00 33.47 32.02 1ku8 s TRP 123 CO 0.79 -0.40 1.86 -1.17 -0.51 0.00 0.00 176.95 177.53 1ku8 s LEU 124 N -3.22 3.65 0.05 2.99 2.96 -0.68 -4.38 118.68 120.05 1ku8 s LEU 124 Ca 0.33 1.61 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 1ku8 s LEU 124 Cb 0.07 -3.52 -0.21 0.00 0.50 0.00 0.00 46.19 43.03 1ku8 s LEU 124 CO 0.10 -1.61 1.20 0.44 -1.32 0.00 0.00 176.35 175.15 1ku8 h ASP 125 N 12.70 0.75 -4.95 3.68 3.32 -0.64 0.13 116.42 131.41 1ku8 h ASP 125 Ca -0.37 -0.70 0.19 0.00 0.02 0.00 0.00 57.03 56.18 1ku8 h ASP 125 Cb 1.19 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1ku8 h ASP 125 CO 1.00 1.34 0.60 -0.72 -1.72 0.00 0.00 179.24 179.74 1ku8 s TYR 126 N -3.46 -0.19 0.11 4.55 -0.85 -1.21 -4.26 117.35 112.03 1ku8 s TYR 126 Ca -0.12 0.03 -0.22 0.00 -0.52 0.00 0.00 57.07 56.25 1ku8 s TYR 126 Cb 0.06 0.56 0.06 0.00 0.38 0.00 0.00 41.96 43.02 1ku8 s TYR 126 CO 0.87 -0.52 0.54 -0.59 -1.52 0.00 0.00 175.55 174.33 1ku8 s PHE 127 N -2.93 -0.44 0.11 -3.49 -0.71 -1.26 -2.20 117.98 107.06 1ku8 s PHE 127 Ca 0.09 0.30 0.02 0.00 -1.04 0.00 0.00 56.93 56.30 1ku8 s PHE 127 Cb -0.00 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 1ku8 s PHE 127 CO -0.04 -0.75 -0.06 -1.12 -1.34 0.00 0.00 175.22 171.90 1ku8 s SER 128 N -2.50 1.20 -0.01 1.98 0.01 -0.09 -4.96 113.70 109.32 1ku8 s SER 128 Ca -0.01 -1.02 0.04 0.00 1.31 0.00 0.00 55.95 56.27 1ku8 s SER 128 Cb -0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1ku8 s SER 128 CO -0.09 -0.47 -0.13 -0.04 0.41 0.00 0.00 173.24 172.93 1ku8 s MET 129 N -3.84 1.06 -0.02 12.44 -1.94 -1.26 -1.98 119.30 123.76 1ku8 s MET 129 Ca 0.13 -0.45 -0.23 0.00 -1.71 0.00 0.00 55.69 53.43 1ku8 s MET 129 Cb 0.05 -1.02 -0.05 0.00 2.01 0.00 0.00 34.83 35.83 1ku8 s MET 129 CO -0.03 0.26 0.70 0.71 -0.01 0.00 0.00 175.02 176.65 1ku8 s TYR 130 N -0.26 3.65 0.02 -0.03 1.51 -0.33 -4.98 117.35 116.93 1ku8 s TYR 130 Ca 0.04 1.31 0.09 0.00 -1.01 0.00 0.00 57.07 57.50 1ku8 s TYR 130 Cb -0.05 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1ku8 s TYR 130 CO -0.00 0.20 -0.26 -0.51 -1.11 0.00 0.00 175.55 173.86 1ku8 s LEU 131 N 0.33 2.13 0.18 -1.29 1.43 -1.26 -0.49 118.68 119.70 1ku8 s LEU 131 Ca 0.37 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 1ku8 s LEU 131 Cb -0.19 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ku8 s LEU 131 CO 0.20 0.28 0.48 -0.55 0.23 0.00 0.00 176.35 176.99 1ku8 s SER 132 N -1.02 -0.23 0.00 2.29 0.15 -0.19 -4.94 113.70 109.77 1ku8 s SER 132 Ca 0.11 -0.48 0.30 0.00 0.70 0.00 0.00 55.95 56.58 1ku8 s SER 132 Cb -0.10 0.55 1.40 0.00 -1.71 0.00 0.00 66.02 66.16 1ku8 s SER 132 CO 0.01 -1.00 1.94 0.18 1.20 0.00 0.00 173.24 175.57