#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iuz s GLN 1 N 0.00 3.30 -0.08 0.00 -1.52 0.41 -4.98 119.66 116.79 1iuz s GLN 1 Ca 0.00 -0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 52.56 1iuz s GLN 1 Cb 0.00 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 30.04 1iuz s GLN 1 CO 0.00 0.04 0.38 0.42 -0.25 0.00 0.00 175.29 175.88 1iuz s ILE 2 N 0.79 5.18 -0.16 1.08 1.01 -1.26 -0.50 121.20 127.34 1iuz s ILE 2 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.36 1iuz s ILE 2 Cb -0.15 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1iuz s ILE 2 CO 0.01 0.46 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 1iuz s VAL 3 N -0.19 1.65 0.17 2.92 1.01 0.26 -4.49 120.40 121.73 1iuz s VAL 3 Ca 0.22 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1iuz s VAL 3 Cb -0.15 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 1iuz s VAL 3 CO 0.09 0.44 0.73 -0.54 0.00 0.00 0.00 175.10 175.82 1iuz s LYS 4 N 1.45 4.42 -0.53 2.72 1.02 0.14 -0.93 119.74 128.02 1iuz s LYS 4 Ca 0.04 1.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.88 1iuz s LYS 4 Cb -0.13 -3.14 0.13 0.00 -0.52 0.00 0.00 37.83 34.16 1iuz s LYS 4 CO -0.11 0.53 0.49 -0.51 -0.92 0.00 0.00 175.35 174.83 1iuz s LEU 5 N -1.39 6.13 0.00 3.17 1.43 0.15 -0.90 118.68 127.27 1iuz s LEU 5 Ca 0.37 -1.76 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1iuz s LEU 5 Cb -0.21 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1iuz s LEU 5 CO 0.23 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.59 1iuz n GLY 6 N 5.24 1.79 3.82 -3.19 0.00 0.34 -1.18 105.19 112.00 1iuz n GLY 6 Ca -0.14 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1iuz n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iuz s GLY 7 N -0.01 2.25 0.38 -0.02 0.00 -0.24 -4.19 107.32 105.50 1iuz s GLY 7 Ca 0.00 0.36 0.11 0.00 0.00 0.00 0.00 44.72 45.19 1iuz s GLY 7 CO 0.00 0.65 1.90 -0.55 0.00 0.00 0.00 173.10 175.10 1iuz h ASP 8 N 1.24 0.56 0.04 1.64 3.32 -1.95 -0.21 116.42 121.06 1iuz h ASP 8 Ca -0.48 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1iuz h ASP 8 Cb 1.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1iuz h ASP 8 CO 0.60 0.30 0.00 -0.90 -1.72 0.00 0.00 179.24 177.52 1iuz n ASP 9 N -4.52 0.00 0.00 6.45 5.68 -1.26 -4.89 116.55 118.01 1iuz n ASP 9 Ca 0.15 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1iuz n ASP 9 Cb 0.45 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1iuz n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iuz n GLY 10 N 0.29 0.67 3.77 6.12 0.00 -0.09 -5.06 105.19 110.89 1iuz n GLY 10 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1iuz n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iuz s SER 11 N -2.95 6.39 -1.05 1.61 0.01 -1.26 -4.79 113.70 111.67 1iuz s SER 11 Ca 0.00 2.52 -0.17 0.00 1.31 0.00 0.00 55.95 59.61 1iuz s SER 11 Cb 0.00 -2.63 0.15 0.00 0.21 0.00 0.00 66.02 63.75 1iuz s SER 11 CO 0.00 -0.78 1.26 -0.76 0.41 0.00 0.00 173.24 173.37 1iuz s LEU 12 N -2.47 5.04 0.04 2.44 1.43 -1.26 -1.08 118.68 122.82 1iuz s LEU 12 Ca 0.57 -2.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.10 1iuz s LEU 12 Cb -0.35 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.49 1iuz s LEU 12 CO 0.44 -0.94 0.29 0.00 0.23 0.00 0.00 176.35 176.37 1iuz s ALA 13 N 2.25 -0.63 0.00 4.21 0.00 -1.26 -3.72 121.76 122.61 1iuz s ALA 13 Ca 0.37 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 1iuz s ALA 13 Cb -0.04 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1iuz s ALA 13 CO -0.05 -0.40 1.00 -0.06 0.00 0.00 0.00 175.76 176.24 1iuz s PHE 14 N -2.50 3.64 -0.22 0.00 0.08 -1.26 -0.50 117.98 117.21 1iuz s PHE 14 Ca -0.05 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.67 1iuz s PHE 14 Cb -0.01 -3.14 0.06 0.00 -0.57 0.00 0.00 43.02 39.35 1iuz s PHE 14 CO -0.03 -0.11 -0.05 0.08 -0.10 0.00 0.00 175.22 175.01 1iuz s VAL 15 N 1.06 1.46 0.85 -0.44 1.01 -0.08 -2.70 120.40 121.56 1iuz s VAL 15 Ca 0.52 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1iuz s VAL 15 Cb -0.21 -1.71 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1iuz s VAL 15 CO 0.28 -0.06 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 1iuz s PRO 16 N 1.44 1.65 0.00 2.72 0.04 -1.26 -0.69 135.00 138.89 1iuz s PRO 16 Ca -0.05 0.67 0.11 0.00 0.04 0.00 0.00 61.00 61.77 1iuz s PRO 16 Cb -0.18 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.65 1iuz s PRO 16 CO -0.07 -1.93 0.98 -1.13 0.04 0.00 0.00 177.00 174.89 1iuz n SER 17 N -3.65 2.24 -3.64 6.66 3.41 -1.10 -4.80 113.62 112.76 1iuz n SER 17 Ca 0.07 -1.63 -0.25 0.00 -0.26 0.00 0.00 58.87 56.80 1iuz n SER 17 Cb 0.56 -0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 64.27 1iuz n SER 17 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1iuz s LYS 18 N -0.97 0.11 0.09 4.33 2.20 -1.26 -1.33 119.74 122.91 1iuz s LYS 18 Ca 0.16 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 1iuz s LYS 18 Cb 0.10 -1.62 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 1iuz s LYS 18 CO 0.15 -0.60 -0.08 0.96 -0.36 0.00 0.00 175.35 175.41 1iuz s ILE 19 N 2.11 0.79 -0.06 5.43 -4.36 -0.97 -5.02 121.20 119.12 1iuz s ILE 19 Ca 0.02 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.82 1iuz s ILE 19 Cb -0.15 -1.34 -0.00 0.00 1.25 0.00 0.00 42.46 42.22 1iuz s ILE 19 CO -0.08 -0.64 -0.20 -0.44 0.24 0.00 0.00 174.94 173.82 1iuz s SER 20 N -2.50 2.56 0.09 4.36 0.01 -1.26 -1.25 113.70 115.70 1iuz s SER 20 Ca 0.05 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1iuz s SER 20 Cb -0.01 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1iuz s SER 20 CO -0.01 0.17 -0.08 0.68 0.41 0.00 0.00 173.24 174.41 1iuz s VAL 21 N 0.10 0.74 0.48 3.43 -7.23 0.42 -4.95 120.40 113.39 1iuz s VAL 21 Ca -0.08 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.22 1iuz s VAL 21 Cb -0.14 -1.35 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 1iuz s VAL 21 CO 0.04 -0.67 1.07 0.00 -0.31 0.00 0.00 175.10 175.24 1iuz s ALA 22 N -2.77 2.88 0.08 1.32 0.00 -1.26 -0.67 121.76 121.34 1iuz s ALA 22 Ca 0.05 0.71 -0.34 0.00 0.00 0.00 0.00 51.96 52.38 1iuz s ALA 22 Cb -0.01 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 1iuz s ALA 22 CO -0.02 -0.43 1.68 0.00 0.00 0.00 0.00 175.76 176.99 1iuz n ALA 23 N -0.83 1.24 -0.43 0.00 0.00 -0.70 -1.24 120.51 118.54 1iuz n ALA 23 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1iuz n ALA 23 Cb 0.51 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1iuz n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuz n GLY 24 N 3.75 1.04 3.73 0.00 0.00 0.70 -4.98 105.19 109.44 1iuz n GLY 24 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1iuz n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iuz s GLU 25 N -0.42 4.69 0.24 1.61 2.12 -0.38 -4.82 118.70 121.74 1iuz s GLU 25 Ca 0.00 1.51 -0.30 0.00 0.36 0.00 0.00 54.97 56.54 1iuz s GLU 25 Cb 0.00 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.95 1iuz s GLU 25 CO 0.00 0.20 1.27 0.00 -0.54 0.00 0.00 175.26 176.19 1iuz s ALA 26 N -0.10 3.50 -0.19 6.30 0.00 -1.26 -4.40 121.76 125.60 1iuz s ALA 26 Ca 0.47 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 1iuz s ALA 26 Cb -0.25 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1iuz s ALA 26 CO 0.31 -0.49 -0.12 0.42 0.00 0.00 0.00 175.76 175.87 1iuz s ILE 27 N -0.33 2.73 -0.37 0.00 1.01 -0.29 -0.44 121.20 123.51 1iuz s ILE 27 Ca 0.53 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 1iuz s ILE 27 Cb -0.36 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1iuz s ILE 27 CO 0.42 0.49 0.19 -1.61 0.00 0.00 0.00 174.94 174.42 1iuz s GLU 28 N 1.26 2.85 -0.41 2.79 2.02 0.35 -1.81 118.70 125.75 1iuz s GLU 28 Ca 0.03 -1.06 -0.21 0.00 0.02 0.00 0.00 54.97 53.75 1iuz s GLU 28 Cb -0.14 -3.69 0.02 0.00 0.10 0.00 0.00 34.13 30.41 1iuz s GLU 28 CO -0.06 -0.67 0.66 -0.06 0.02 0.00 0.00 175.26 175.14 1iuz s PHE 29 N 1.54 3.09 -0.25 1.61 0.08 0.09 -0.57 117.98 123.57 1iuz s PHE 29 Ca 0.02 0.12 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 1iuz s PHE 29 Cb -0.19 -3.31 -0.00 0.00 -0.57 0.00 0.00 43.02 38.95 1iuz s PHE 29 CO 0.06 -0.79 0.02 0.08 -0.10 0.00 0.00 175.22 174.49 1iuz s VAL 30 N 2.83 3.71 -0.11 -0.44 1.01 -0.11 -1.41 120.40 125.89 1iuz s VAL 30 Ca 0.24 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1iuz s VAL 30 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1iuz s VAL 30 CO 0.18 0.27 1.70 0.21 0.00 0.00 0.00 175.10 177.46 1iuz s ASN 31 N 1.50 6.47 0.02 3.32 2.47 -0.46 -0.68 114.94 127.58 1iuz s ASN 31 Ca 0.04 2.04 0.00 0.00 0.42 0.00 0.00 52.86 55.36 1iuz s ASN 31 Cb -0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1iuz s ASN 31 CO -0.00 -1.12 0.00 -3.20 -3.72 0.00 0.00 177.10 169.06 1iuz n ASN 32 N 7.91 0.20 -3.51 -4.21 5.15 -0.33 -0.56 115.26 119.91 1iuz n ASN 32 Ca 0.19 0.02 -0.15 0.00 -0.60 0.00 0.00 54.58 54.04 1iuz n ASN 32 Cb 0.44 -0.06 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 1iuz n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iuz s ALA 33 N -2.00 -1.58 -1.23 5.20 0.00 -0.64 -4.85 121.76 116.67 1iuz s ALA 33 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1iuz s ALA 33 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1iuz s ALA 33 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1iuz n GLY 34 N 0.38 0.84 3.83 0.00 0.00 -1.26 -3.99 105.19 105.00 1iuz n GLY 34 Ca -0.18 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1iuz n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iuz s PHE 35 N -2.51 3.01 0.39 1.61 -0.12 -1.26 -4.71 117.98 114.39 1iuz s PHE 35 Ca 0.00 1.10 -0.27 0.00 -0.05 0.00 0.00 56.93 57.72 1iuz s PHE 35 Cb 0.00 -3.11 -0.09 0.00 -0.63 0.00 0.00 43.02 39.18 1iuz s PHE 35 CO 0.00 -1.56 1.35 -1.25 -0.05 0.00 0.00 175.22 173.70 1iuz s PRO 36 N -5.24 4.01 0.17 1.99 0.04 -1.26 -5.06 135.00 129.65 1iuz s PRO 36 Ca 0.60 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.95 1iuz s PRO 36 Cb -0.13 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1iuz s PRO 36 CO 0.53 -0.49 -0.11 -1.01 0.04 0.00 0.00 177.00 175.96 1iuz s HIS 37 N -1.21 1.39 0.32 0.56 3.76 -1.14 -4.90 115.29 114.08 1iuz s HIS 37 Ca 0.55 -0.72 0.06 0.00 -0.15 0.00 0.00 55.06 54.80 1iuz s HIS 37 Cb -0.40 -0.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1iuz s HIS 37 CO 0.53 0.14 0.25 0.54 -0.85 0.00 0.00 174.74 175.35 1iuz s ASN 38 N -3.21 1.57 -0.29 1.40 4.22 -1.26 -0.63 114.94 116.73 1iuz s ASN 38 Ca 0.19 -1.71 -0.00 0.00 -2.14 0.00 0.00 52.86 49.19 1iuz s ASN 38 Cb 0.02 0.53 0.09 0.00 1.28 0.00 0.00 41.25 43.17 1iuz s ASN 38 CO 0.03 -1.03 0.06 -0.63 -2.04 0.00 0.00 177.10 173.49 1iuz s ILE 39 N -3.51 1.12 -0.20 0.54 1.01 -0.59 -4.27 121.20 115.30 1iuz s ILE 39 Ca 0.40 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1iuz s ILE 39 Cb 0.03 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1iuz s ILE 39 CO 0.25 -0.54 -0.10 -0.69 0.00 0.00 0.00 174.94 173.86 1iuz s VAL 40 N 1.51 2.92 0.10 2.92 1.01 -0.16 -0.36 120.40 128.35 1iuz s VAL 40 Ca 0.07 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1iuz s VAL 40 Cb -0.18 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1iuz s VAL 40 CO -0.18 0.47 0.91 -0.36 0.00 0.00 0.00 175.10 175.94 1iuz s PHE 41 N 1.34 3.80 -0.24 5.22 0.40 -1.26 -0.60 117.98 126.64 1iuz s PHE 41 Ca 0.04 1.73 -0.29 0.00 -0.60 0.00 0.00 56.93 57.81 1iuz s PHE 41 Cb -0.14 -3.00 0.01 0.00 0.51 0.00 0.00 43.02 40.40 1iuz s PHE 41 CO -0.06 0.23 1.08 0.34 0.70 0.00 0.00 175.22 177.51 1iuz s ASP 42 N -0.04 7.04 0.44 1.36 -1.08 -0.13 -4.71 116.67 119.54 1iuz s ASP 42 Ca 0.45 1.35 0.30 0.00 -0.52 0.00 0.00 52.55 54.13 1iuz s ASP 42 Cb -0.23 -2.54 1.51 0.00 -1.46 0.00 0.00 42.92 40.20 1iuz s ASP 42 CO 0.28 -0.73 1.91 1.05 0.52 0.00 0.00 175.17 178.21 1iuz h GLU 43 N 7.69 0.00 -0.07 4.34 4.11 -1.93 0.34 114.58 129.06 1iuz h GLU 43 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1iuz h GLU 43 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1iuz h GLU 43 CO 0.99 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.82 1iuz n ASP 44 N -2.60 2.03 -2.68 3.06 8.00 -1.26 -4.36 116.55 118.73 1iuz n ASP 44 Ca -0.01 -1.69 -0.09 0.00 0.71 0.00 0.00 54.79 53.71 1iuz n ASP 44 Cb 0.12 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1iuz n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iuz n ALA 45 N 0.58 3.36 -2.34 2.24 0.00 0.10 -5.07 120.51 119.38 1iuz n ALA 45 Ca 0.17 -3.15 -0.15 0.00 0.00 0.00 0.00 53.44 50.32 1iuz n ALA 45 Cb 0.43 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 1iuz n ALA 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1iuz s VAL 46 N -3.09 1.17 0.86 0.00 -7.23 -1.21 -0.35 120.40 110.54 1iuz s VAL 46 Ca 0.28 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1iuz s VAL 46 Cb 0.45 -1.70 0.11 0.00 0.56 0.00 0.00 36.38 35.81 1iuz s VAL 46 CO 0.03 -0.65 1.14 -2.84 -0.31 0.00 0.00 175.10 172.48 1iuz s PRO 47 N -3.37 1.43 0.37 4.82 0.02 -1.25 -4.92 135.00 132.11 1iuz s PRO 47 Ca 0.13 1.49 -0.28 0.00 0.02 0.00 0.00 61.00 62.36 1iuz s PRO 47 Cb 0.00 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.64 1iuz s PRO 47 CO 0.01 -2.32 1.45 0.00 -0.33 0.00 0.00 177.00 175.82 1iuz s ALA 48 N -2.63 3.54 0.00 -1.55 0.00 -1.26 -2.23 121.76 117.63 1iuz s ALA 48 Ca 0.66 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.14 1iuz s ALA 48 Cb -0.22 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1iuz s ALA 48 CO 0.56 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1iuz n GLY 49 N 0.52 0.75 3.58 0.00 0.00 -1.26 -5.03 105.19 103.74 1iuz n GLY 49 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1iuz n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iuz s VAL 50 N -2.68 4.52 -0.50 1.61 1.01 -0.95 -5.06 120.40 118.35 1iuz s VAL 50 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 1iuz s VAL 50 Cb 0.00 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1iuz s VAL 50 CO 0.00 0.46 0.96 -0.62 0.00 0.00 0.00 175.10 175.89 1iuz s ASP 51 N 0.48 6.44 0.35 3.32 -1.08 -1.26 -4.91 116.67 120.01 1iuz s ASP 51 Ca 0.01 -0.04 0.07 0.00 -0.52 0.00 0.00 52.55 52.07 1iuz s ASP 51 Cb -0.13 -2.46 0.64 0.00 -1.46 0.00 0.00 42.92 39.51 1iuz s ASP 51 CO 0.01 -1.15 1.85 0.00 0.52 0.00 0.00 175.17 176.41 1iuz h ALA 52 N 9.20 1.36 -0.18 3.66 0.00 -1.92 -2.85 119.26 128.54 1iuz h ALA 52 Ca -0.25 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1iuz h ALA 52 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1iuz h ALA 52 CO 1.06 0.43 -0.39 -0.44 0.00 0.00 0.00 179.25 179.92 1iuz h ASP 53 N 0.34 0.41 -0.94 0.00 3.32 -1.91 -2.87 116.42 114.77 1iuz h ASP 53 Ca 0.07 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.98 1iuz h ASP 53 Cb 0.45 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1iuz h ASP 53 CO 0.03 0.77 0.61 0.00 -1.72 0.00 0.00 179.24 178.92 1iuz h ALA 54 N 1.26 1.25 -0.01 3.45 0.00 -1.92 -2.74 119.26 120.55 1iuz h ALA 54 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iuz h ALA 54 Cb 0.83 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1iuz h ALA 54 CO 0.07 0.46 -0.30 0.44 0.00 0.00 0.00 179.25 179.92 1iuz n ILE 55 N -4.50 0.00 -1.60 0.00 -5.35 -1.18 -4.94 119.36 101.78 1iuz n ILE 55 Ca 0.13 -0.21 -0.31 0.00 -0.27 0.00 0.00 62.75 62.09 1iuz n ILE 55 Cb 0.11 0.79 0.05 0.00 -1.74 0.00 0.00 39.64 38.85 1iuz n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1iuz s SER 56 N -2.42 5.43 -0.39 7.28 0.01 -1.03 -4.88 113.70 117.70 1iuz s SER 56 Ca 0.24 1.59 0.03 0.00 1.31 0.00 0.00 55.95 59.11 1iuz s SER 56 Cb 0.19 -2.47 0.11 0.00 0.21 0.00 0.00 66.02 64.06 1iuz s SER 56 CO 0.51 -1.41 0.13 -0.47 0.41 0.00 0.00 173.24 172.41 1iuz s TYR 57 N -3.06 3.10 0.13 2.43 6.14 0.51 -5.00 117.35 121.61 1iuz s TYR 57 Ca 0.58 -2.79 0.12 0.00 0.64 0.00 0.00 57.07 55.61 1iuz s TYR 57 Cb -0.14 -2.60 0.22 0.00 0.42 0.00 0.00 41.96 39.86 1iuz s TYR 57 CO 0.55 -0.87 1.52 -0.44 0.64 0.00 0.00 175.55 176.95 1iuz h ASP 59 N 7.29 0.00 -4.12 4.32 3.32 -1.95 -1.56 116.42 123.72 1iuz h ASP 59 Ca -0.06 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.48 1iuz h ASP 59 Cb 0.97 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.61 1iuz h ASP 59 CO 0.55 0.65 0.41 -1.81 -1.72 0.00 0.00 179.24 177.33 1iuz s ASP 61 N -6.65 5.53 0.33 6.45 1.11 -1.26 -4.86 116.67 117.32 1iuz s ASP 61 Ca 0.01 2.12 -0.28 0.00 0.18 0.00 0.00 52.55 54.57 1iuz s ASP 61 Cb 0.11 -2.57 -0.10 0.00 1.07 0.00 0.00 42.92 41.43 1iuz s ASP 61 CO 0.76 -1.34 1.25 -0.31 1.18 0.00 0.00 175.17 176.70 1iuz s TYR 62 N -1.95 3.15 -0.36 4.23 2.02 -1.26 -4.58 117.35 118.59 1iuz s TYR 62 Ca 0.71 1.49 -0.15 0.00 -0.37 0.00 0.00 57.07 58.74 1iuz s TYR 62 Cb -0.23 -3.57 -0.00 0.00 -0.40 0.00 0.00 41.96 37.76 1iuz s TYR 62 CO 0.31 -1.54 0.36 -0.51 -1.57 0.00 0.00 175.55 172.61 1iuz s LEU 63 N -1.82 4.59 -0.01 -1.29 1.43 0.20 -4.95 118.68 116.83 1iuz s LEU 63 Ca 0.49 -0.39 0.19 0.00 -1.03 0.00 0.00 54.13 53.39 1iuz s LEU 63 Cb -0.37 -2.32 -0.26 0.00 0.03 0.00 0.00 46.19 43.27 1iuz s LEU 63 CO 0.49 -0.39 0.62 0.59 0.23 0.00 0.00 176.35 177.89 1iuz n ASN 64 N 5.39 0.70 -4.21 2.29 3.02 -1.26 -2.86 115.26 118.33 1iuz n ASN 64 Ca -0.09 -0.47 -0.24 0.00 -0.03 0.00 0.00 54.58 53.75 1iuz n ASN 64 Cb 0.49 1.45 -0.14 0.00 -0.61 0.00 0.00 39.78 40.97 1iuz n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1iuz s SER 65 N -3.53 2.19 0.29 6.41 0.01 -1.26 -4.86 113.70 112.95 1iuz s SER 65 Ca -0.00 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1iuz s SER 65 Cb 0.13 -0.18 -0.12 0.00 0.21 0.00 0.00 66.02 66.06 1iuz s SER 65 CO 0.80 0.14 1.53 1.17 0.41 0.00 0.00 173.24 177.29 1iuz n LYS 66 N 2.02 2.53 0.00 12.44 4.81 -1.26 -2.88 118.16 135.82 1iuz n LYS 66 Ca -0.17 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1iuz n LYS 66 Cb 0.54 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1iuz n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iuz n GLY 67 N 1.89 2.75 3.70 3.14 0.00 0.28 -4.99 105.19 111.95 1iuz n GLY 67 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1iuz n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iuz n GLU 68 N -2.00 2.38 -4.15 1.61 1.02 -1.14 -4.66 120.64 113.70 1iuz n GLU 68 Ca 0.00 0.85 -0.22 0.00 -0.02 0.00 0.00 57.16 57.78 1iuz n GLU 68 Cb 0.00 -2.61 -0.17 0.00 -0.02 0.00 0.00 31.44 28.64 1iuz n GLU 68 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1iuz s THR 69 N 0.46 0.65 -0.13 2.62 2.01 -1.26 -1.36 115.64 118.63 1iuz s THR 69 Ca 0.71 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 1iuz s THR 69 Cb -0.59 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1iuz s THR 69 CO 0.43 0.26 0.01 -0.69 -0.69 0.00 0.00 174.62 173.94 1iuz s VAL 70 N 1.09 4.32 -0.09 3.82 1.01 -0.50 -4.96 120.40 125.09 1iuz s VAL 70 Ca -0.08 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1iuz s VAL 70 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1iuz s VAL 70 CO -0.01 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 1iuz s VAL 71 N -0.16 2.37 0.04 2.92 1.01 -1.26 -0.73 120.40 124.58 1iuz s VAL 71 Ca 0.05 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1iuz s VAL 71 Cb -0.13 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1iuz s VAL 71 CO 0.02 0.56 -0.12 -0.13 0.00 0.00 0.00 175.10 175.42 1iuz s ARG 72 N 0.06 0.83 -0.05 2.72 1.81 -0.75 -4.97 118.95 118.59 1iuz s ARG 72 Ca -0.09 -0.70 0.05 0.00 -1.72 0.00 0.00 55.73 53.27 1iuz s ARG 72 Cb -0.15 -0.80 -0.00 0.00 -0.45 0.00 0.00 34.95 33.54 1iuz s ARG 72 CO 0.06 0.20 -0.20 0.15 -0.68 0.00 0.00 175.30 174.82 1iuz s LYS 73 N -1.10 2.16 -0.00 3.54 1.02 -1.26 -1.13 119.74 122.95 1iuz s LYS 73 Ca -0.00 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1iuz s LYS 73 Cb -0.08 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 1iuz s LYS 73 CO 0.01 0.28 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.17 1iuz s LEU 74 N 0.02 3.35 -0.19 3.17 1.43 -1.26 -4.86 118.68 120.34 1iuz s LEU 74 Ca -0.06 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1iuz s LEU 74 Cb -0.13 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.08 1iuz s LEU 74 CO 0.03 0.29 -0.21 -0.24 0.23 0.00 0.00 176.35 176.45 1iuz n SER 75 N 1.51 1.91 -4.69 2.29 2.88 -1.26 -0.21 113.62 116.04 1iuz n SER 75 Ca -0.15 0.09 -0.42 0.00 -1.33 0.00 0.00 58.87 57.06 1iuz n SER 75 Cb 0.53 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1iuz n SER 75 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1iuz s THR 76 N -2.36 4.82 0.61 2.46 2.01 -1.26 -4.77 115.64 117.14 1iuz s THR 76 Ca -0.26 1.97 -0.19 0.00 0.31 0.00 0.00 61.69 63.52 1iuz s THR 76 Cb 0.09 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1iuz s THR 76 CO 0.38 0.05 1.25 -2.84 -0.69 0.00 0.00 174.62 172.77 1iuz s PRO 77 N 1.79 2.85 0.00 4.92 0.02 -1.26 -4.81 135.00 138.51 1iuz s PRO 77 Ca 0.47 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1iuz s PRO 77 Cb -0.19 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1iuz s PRO 77 CO 0.19 -1.33 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1iuz n GLY 78 N 0.67 0.71 3.60 0.52 0.00 -0.81 -4.84 105.19 105.04 1iuz n GLY 78 Ca 0.14 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1iuz n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iuz s VAL 79 N -2.23 4.06 -0.15 1.61 1.01 -1.26 -0.69 120.40 122.75 1iuz s VAL 79 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1iuz s VAL 79 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1iuz s VAL 79 CO 0.00 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.21 1iuz s TYR 80 N -0.40 2.17 0.04 5.22 1.51 -0.05 -3.80 117.35 122.05 1iuz s TYR 80 Ca 0.07 -1.22 -0.16 0.00 -1.01 0.00 0.00 57.07 54.76 1iuz s TYR 80 Cb -0.12 -1.60 -0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1iuz s TYR 80 CO 0.02 -0.67 0.47 0.20 -1.11 0.00 0.00 175.55 174.46 1iuz s GLY 81 N 1.48 2.52 0.02 0.71 0.00 0.52 -1.22 107.32 111.35 1iuz s GLY 81 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.65 1iuz s GLY 81 CO -0.11 0.21 -0.09 0.14 0.00 0.00 0.00 173.10 173.25 1iuz s VAL 82 N -1.16 0.72 0.21 1.40 1.01 -0.68 -0.96 120.40 120.93 1iuz s VAL 82 Ca 0.28 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1iuz s VAL 82 Cb -0.17 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1iuz s VAL 82 CO 0.16 0.01 0.19 -0.72 0.00 0.00 0.00 175.10 174.73 1iuz s TYR 83 N -0.61 1.02 -0.22 5.22 1.13 0.23 -1.10 117.35 123.02 1iuz s TYR 83 Ca -0.00 -1.27 -0.07 0.00 -1.41 0.00 0.00 57.07 54.32 1iuz s TYR 83 Cb -0.06 -0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 40.34 1iuz s TYR 83 CO 0.00 -0.70 0.05 0.00 -2.51 0.00 0.00 175.55 172.40 1iuz h GLU 85 N 7.65 0.00 0.00 0.00 5.08 -1.90 -1.05 114.58 124.36 1iuz h GLU 85 Ca -0.37 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1iuz h GLU 85 Cb 1.18 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1iuz h GLU 85 CO 0.61 0.05 -0.09 -1.00 -1.00 0.00 0.00 179.01 177.58 1iuz h PRO 86 N -0.05 0.00 -0.13 2.33 0.13 -1.95 -3.16 132.00 129.17 1iuz h PRO 86 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iuz h PRO 86 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1iuz h PRO 86 CO -0.00 0.09 0.00 0.72 -0.23 0.00 0.00 178.00 178.58 1iuz n HIS 87 N -3.60 0.26 -0.35 1.56 8.25 -0.91 -4.65 115.22 115.78 1iuz n HIS 87 Ca -0.02 -0.65 0.02 0.00 -0.26 0.00 0.00 57.72 56.82 1iuz n HIS 87 Cb 0.21 -0.10 0.18 0.00 1.12 0.00 0.00 29.99 31.40 1iuz n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iuz h ALA 88 N 0.81 1.41 0.00 -1.41 0.00 -1.18 -0.67 119.26 118.21 1iuz h ALA 88 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iuz h ALA 88 Cb 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iuz h ALA 88 CO 0.03 0.47 0.00 0.78 0.00 0.00 0.00 179.25 180.53 1iuz h GLY 89 N 1.18 0.00 0.46 0.00 0.00 -1.85 -1.40 103.07 101.45 1iuz h GLY 89 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1iuz h GLY 89 CO -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.21 1iuz n ALA 90 N -1.97 2.93 -0.02 3.60 0.00 -0.29 -4.93 120.51 119.82 1iuz n ALA 90 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1iuz n ALA 90 Cb 0.28 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1iuz n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuz n GLY 91 N 1.31 0.99 3.50 0.00 0.00 -0.53 -4.93 105.19 105.53 1iuz n GLY 91 Ca 0.13 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1iuz n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1iuz s MET 92 N -0.61 3.81 0.04 1.61 0.00 -1.01 -4.87 119.30 118.26 1iuz s MET 92 Ca 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 55.69 53.76 1iuz s MET 92 Cb 0.00 -5.17 -0.02 0.00 0.00 0.00 0.00 34.83 29.63 1iuz s MET 92 CO 0.00 -1.96 0.01 0.15 0.00 0.00 0.00 175.02 173.22 1iuz s LYS 93 N 3.16 0.50 0.20 4.11 1.02 -1.26 -1.83 119.74 125.64 1iuz s LYS 93 Ca 0.43 -0.86 -0.10 0.00 0.02 0.00 0.00 55.97 55.46 1iuz s LYS 93 Cb -0.01 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1iuz s LYS 93 CO -0.03 -0.10 0.36 0.00 -0.92 0.00 0.00 175.35 174.65 1iuz s MET 94 N -2.64 1.31 -0.05 1.68 0.23 -0.26 -4.64 119.30 114.93 1iuz s MET 94 Ca -0.05 -1.22 0.02 0.00 -1.03 0.00 0.00 55.69 53.42 1iuz s MET 94 Cb -0.01 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.71 1iuz s MET 94 CO -0.05 -0.51 -0.11 0.99 -2.03 0.00 0.00 175.02 173.31 1iuz s THR 95 N -4.00 1.05 -0.13 3.16 2.01 -0.44 -1.69 115.64 115.60 1iuz s THR 95 Ca 0.20 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1iuz s THR 95 Cb 0.02 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 1iuz s THR 95 CO 0.04 0.33 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.49 1iuz s ILE 96 N 0.55 2.47 -0.21 1.82 1.01 -0.36 -2.29 121.20 124.20 1iuz s ILE 96 Ca -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1iuz s ILE 96 Cb -0.14 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1iuz s ILE 96 CO 0.03 0.53 0.01 -0.89 0.00 0.00 0.00 174.94 174.62 1iuz s THR 97 N 0.61 4.01 -0.17 2.92 2.01 -0.38 -0.87 115.64 123.77 1iuz s THR 97 Ca -0.10 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1iuz s THR 97 Cb -0.16 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1iuz s THR 97 CO 0.03 0.41 0.11 -0.69 -0.69 0.00 0.00 174.62 173.80 1iuz s VAL 98 N 1.10 5.26 -0.44 3.82 1.01 0.13 -0.43 120.40 130.86 1iuz s VAL 98 Ca 0.03 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1iuz s VAL 98 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1iuz s VAL 98 CO 0.02 0.50 0.61 0.00 0.00 0.00 0.00 175.10 176.23