#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibz n ASN 3 N 0.00 -1.93 -4.98 0.26 5.15 -1.05 -4.98 115.26 107.73 1ibz n ASN 3 Ca 0.00 1.08 -0.20 0.00 -0.60 0.00 0.00 54.58 54.86 1ibz n ASN 3 Cb 0.00 -4.20 0.02 0.00 -0.53 0.00 0.00 39.78 35.07 1ibz n ASN 3 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1ibz s PHE 4 N -0.49 2.96 -0.24 1.20 0.40 0.12 -4.93 117.98 117.00 1ibz s PHE 4 Ca -0.18 -0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1ibz s PHE 4 Cb 0.01 -2.43 0.07 0.00 0.51 0.00 0.00 43.02 41.18 1ibz s PHE 4 CO 0.49 -0.49 -0.00 -0.80 0.70 0.00 0.00 175.22 175.12 1ibz s ASN 5 N -4.32 3.74 -0.17 1.36 0.01 -1.26 -1.30 114.94 113.00 1ibz s ASN 5 Ca 0.53 -1.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.43 1ibz s ASN 5 Cb -0.10 -1.03 -0.01 0.00 0.41 0.00 0.00 41.25 40.52 1ibz s ASN 5 CO 0.36 -0.29 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.85 1ibz s VAL 6 N 1.50 2.97 -0.19 1.60 1.01 -0.69 -4.15 120.40 122.44 1ibz s VAL 6 Ca -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1ibz s VAL 6 Cb -0.18 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1ibz s VAL 6 CO -0.10 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 1ibz s VAL 7 N 0.96 3.55 -0.33 2.92 1.01 0.10 -1.00 120.40 127.61 1ibz s VAL 7 Ca -0.02 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1ibz s VAL 7 Cb -0.15 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1ibz s VAL 7 CO -0.01 0.45 0.46 -0.63 0.00 0.00 0.00 175.10 175.37 1ibz s ILE 8 N 0.99 5.08 0.01 2.22 1.01 -0.15 -0.23 121.20 130.12 1ibz s ILE 8 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.07 1ibz s ILE 8 Cb -0.15 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1ibz s ILE 8 CO 0.01 -0.11 -0.26 0.20 0.00 0.00 0.00 174.94 174.78 1ibz s ASN 9 N 1.72 3.02 -0.06 3.58 -0.87 -0.06 -0.85 114.94 121.42 1ibz s ASN 9 Ca 0.17 -0.51 -0.07 0.00 -1.57 0.00 0.00 52.86 50.88 1ibz s ASN 9 Cb -0.16 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.25 40.72 1ibz s ASN 9 CO 0.12 0.29 0.20 0.00 -2.57 0.00 0.00 177.10 175.13 1ibz s ALA 10 N -0.68 3.87 -0.12 0.60 0.00 -1.26 -0.29 121.76 123.88 1ibz s ALA 10 Ca 0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1ibz s ALA 10 Cb -0.10 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.05 1ibz s ALA 10 CO 0.00 0.64 -0.02 0.71 0.00 0.00 0.00 175.76 177.09 1ibz s TYR 11 N -1.14 1.13 -0.62 0.00 1.51 0.11 -4.99 117.35 113.35 1ibz s TYR 11 Ca 0.21 -0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1ibz s TYR 11 Cb -0.13 -1.04 0.16 0.00 -0.11 0.00 0.00 41.96 40.84 1ibz s TYR 11 CO 0.10 -0.48 0.45 0.34 -1.11 0.00 0.00 175.55 174.85 1ibz s ASP 12 N 1.82 5.42 -0.22 2.29 -1.08 -1.26 -1.37 116.67 122.27 1ibz s ASP 12 Ca 0.03 -2.73 -0.07 0.00 -0.52 0.00 0.00 52.55 49.26 1ibz s ASP 12 Cb -0.14 -1.90 -0.03 0.00 -1.46 0.00 0.00 42.92 39.39 1ibz s ASP 12 CO -0.07 -0.42 0.06 -0.89 0.52 0.00 0.00 175.17 174.37 1ibz s THR 13 N 0.11 4.40 -0.17 1.71 2.01 -0.29 -5.03 115.64 118.40 1ibz s THR 13 Ca 0.16 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1ibz s THR 13 Cb -0.20 -3.02 0.06 0.00 0.01 0.00 0.00 72.50 69.35 1ibz s THR 13 CO -0.04 0.39 0.05 -0.89 -0.69 0.00 0.00 174.62 173.44 1ibz s THR 14 N 1.14 0.25 -0.44 -0.82 2.01 -1.26 -1.06 115.64 115.46 1ibz s THR 14 Ca 0.04 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1ibz s THR 14 Cb -0.14 -0.77 0.13 0.00 0.01 0.00 0.00 72.50 71.72 1ibz s THR 14 CO 0.03 -0.17 0.21 -0.63 -0.69 0.00 0.00 174.62 173.37 1ibz s ILE 15 N 1.99 1.78 0.26 1.82 1.01 0.90 -4.98 121.20 123.97 1ibz s ILE 15 Ca 0.01 -2.64 -0.02 0.00 0.00 0.00 0.00 60.65 58.00 1ibz s ILE 15 Cb -0.16 -2.26 0.26 0.00 0.01 0.00 0.00 42.46 40.31 1ibz s ILE 15 CO -0.08 -0.82 1.69 -0.65 0.00 0.00 0.00 174.94 175.09 1ibz h PRO 16 N 6.89 0.32 -2.78 2.79 0.11 -1.94 -1.13 132.00 136.26 1ibz h PRO 16 Ca -0.05 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 1ibz h PRO 16 Cb 0.93 -0.07 -0.32 0.00 0.11 0.00 0.00 31.00 31.66 1ibz h PRO 16 CO 0.55 0.21 -0.51 -2.00 -0.21 0.00 0.00 178.00 176.04 1ibz s GLU 17 N -5.99 0.18 -0.22 1.05 2.12 -1.26 -0.65 118.70 113.94 1ibz s GLU 17 Ca -0.12 0.78 -0.14 0.00 0.36 0.00 0.00 54.97 55.85 1ibz s GLU 17 Cb 0.23 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 1ibz s GLU 17 CO 0.77 -0.29 0.31 -1.17 -0.54 0.00 0.00 175.26 174.33 1ibz s LEU 18 N 2.45 4.14 -0.22 2.70 2.96 0.14 -4.97 118.68 125.88 1ibz s LEU 18 Ca 0.01 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1ibz s LEU 18 Cb -0.12 -2.36 0.07 0.00 0.50 0.00 0.00 46.19 44.28 1ibz s LEU 18 CO -0.09 -0.02 0.05 0.20 -1.32 0.00 0.00 176.35 175.17 1ibz s ASN 19 N 1.04 3.13 -0.09 3.68 -0.87 -1.26 -1.56 114.94 119.01 1ibz s ASN 19 Ca 0.15 -0.99 -0.06 0.00 -1.57 0.00 0.00 52.86 50.39 1ibz s ASN 19 Cb -0.14 -0.61 0.03 0.00 -0.02 0.00 0.00 41.25 40.51 1ibz s ASN 19 CO 0.07 -0.34 0.23 0.68 -2.57 0.00 0.00 177.10 175.17 1ibz s VAL 20 N 1.85 -0.02 -1.54 1.60 -7.23 -0.87 -4.91 120.40 109.27 1ibz s VAL 20 Ca 0.02 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 1ibz s VAL 20 Cb -0.17 -0.35 0.14 0.00 0.56 0.00 0.00 36.38 36.56 1ibz s VAL 20 CO -0.13 0.03 0.68 -0.62 -0.31 0.00 0.00 175.10 174.75 1ibz n GLU 21 N 3.65 -3.12 -0.68 4.82 1.02 -1.26 -0.65 120.64 124.42 1ibz n GLU 21 Ca -0.20 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1ibz n GLU 21 Cb 0.55 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.88 1ibz n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ibz n GLY 22 N -1.28 1.10 3.83 0.62 0.00 -1.26 -5.04 105.19 103.16 1ibz n GLY 22 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1ibz n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibz s VAL 23 N -3.46 5.34 -0.14 1.61 1.01 0.17 -5.10 120.40 119.83 1ibz s VAL 23 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1ibz s VAL 23 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1ibz s VAL 23 CO 0.00 0.59 -0.17 -0.89 0.00 0.00 0.00 175.10 174.63 1ibz s THR 24 N -0.79 1.73 -0.04 3.92 2.01 -1.26 -2.05 115.64 119.15 1ibz s THR 24 Ca 0.13 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1ibz s THR 24 Cb -0.12 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.82 1ibz s THR 24 CO 0.03 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1ibz s VAL 25 N 1.16 1.20 0.29 3.82 1.01 -0.60 -4.98 120.40 122.29 1ibz s VAL 25 Ca -0.01 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.50 1ibz s VAL 25 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1ibz s VAL 25 CO -0.06 0.36 -0.10 -1.59 0.00 0.00 0.00 175.10 173.70 1ibz s LYS 26 N 0.21 1.93 -1.22 2.72 -2.85 -1.26 0.24 119.74 119.51 1ibz s LYS 26 Ca -0.06 -1.68 -0.10 0.00 -1.00 0.00 0.00 55.97 53.13 1ibz s LYS 26 Cb -0.12 -1.90 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 1ibz s LYS 26 CO 0.02 0.29 0.73 0.09 0.10 0.00 0.00 175.35 176.58 1ibz n ASN 27 N -0.77 -3.50 -4.68 0.03 3.02 0.18 -4.96 115.26 104.58 1ibz n ASN 27 Ca -0.05 -0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 53.19 1ibz n ASN 27 Cb 0.60 -3.75 -0.06 0.00 -0.61 0.00 0.00 39.78 35.96 1ibz n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ibz s ILE 28 N -3.59 5.11 -0.17 2.41 1.01 -0.43 -4.99 121.20 120.56 1ibz s ILE 28 Ca 0.26 1.01 -0.07 0.00 0.00 0.00 0.00 60.65 61.85 1ibz s ILE 28 Cb -0.08 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.61 1ibz s ILE 28 CO 0.84 0.21 0.37 -0.60 0.00 0.00 0.00 174.94 175.75 1ibz s ARG 29 N 1.38 0.28 -0.19 2.79 3.00 -1.26 -0.07 118.95 124.88 1ibz s ARG 29 Ca 0.26 0.88 -0.10 0.00 -1.00 0.00 0.00 55.73 55.77 1ibz s ARG 29 Cb -0.15 0.14 0.07 0.00 0.00 0.00 0.00 34.95 35.00 1ibz s ARG 29 CO 0.10 -0.23 0.46 0.00 0.00 0.00 0.00 175.30 175.62 1ibz s ALA 30 N 2.22 -1.21 -0.16 6.12 0.00 -0.22 -5.03 121.76 123.48 1ibz s ALA 30 Ca -0.03 1.67 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1ibz s ALA 30 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.92 1ibz s ALA 30 CO -0.11 -0.40 -0.19 0.12 0.00 0.00 0.00 175.76 175.18 1ibz s PHE 31 N 1.73 2.54 0.12 0.00 5.36 -1.26 -1.14 117.98 125.33 1ibz s PHE 31 Ca -0.08 -1.42 -0.09 0.00 -0.96 0.00 0.00 56.93 54.38 1ibz s PHE 31 Cb -0.09 -1.78 -0.00 0.00 -0.34 0.00 0.00 43.02 40.81 1ibz s PHE 31 CO -0.14 -0.71 0.23 -0.80 -1.46 0.00 0.00 175.22 172.35 1ibz s ASN 32 N 1.21 0.07 -0.09 6.13 0.01 -0.47 -4.77 114.94 117.03 1ibz s ASN 32 Ca 0.01 -0.72 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 1ibz s ASN 32 Cb -0.14 0.38 0.01 0.00 0.41 0.00 0.00 41.25 41.91 1ibz s ASN 32 CO -0.09 -0.80 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.83 1ibz s VAL 33 N -3.90 1.64 -0.02 1.60 1.01 -0.07 0.09 120.40 120.75 1ibz s VAL 33 Ca 0.09 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1ibz s VAL 33 Cb 0.04 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1ibz s VAL 33 CO -0.07 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 1ibz s LEU 34 N 0.63 2.04 -0.16 3.92 1.02 0.60 -2.31 118.68 124.42 1ibz s LEU 34 Ca -0.14 -0.41 -0.20 0.00 0.02 0.00 0.00 54.13 53.41 1ibz s LEU 34 Cb -0.16 -1.16 -0.03 0.00 0.02 0.00 0.00 46.19 44.85 1ibz s LEU 34 CO 0.04 0.27 0.56 0.20 0.02 0.00 0.00 176.35 177.44 1ibz s ASN 35 N -0.50 6.68 -0.23 2.29 0.02 -1.26 -0.89 114.94 121.05 1ibz s ASN 35 Ca 0.08 0.82 0.01 0.00 -1.02 0.00 0.00 52.86 52.74 1ibz s ASN 35 Cb -0.09 -2.32 0.06 0.00 0.02 0.00 0.00 41.25 38.92 1ibz s ASN 35 CO -0.01 -0.15 -0.05 -1.61 0.02 0.00 0.00 177.10 175.31 1ibz s GLU 36 N 1.32 1.55 0.61 -0.60 2.02 0.68 -2.41 118.70 121.87 1ibz s GLU 36 Ca 0.27 -0.96 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 1ibz s GLU 36 Cb -0.16 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1ibz s GLU 36 CO 0.11 -0.61 1.03 -1.25 0.02 0.00 0.00 175.26 174.56 1ibz s PRO 37 N 1.42 3.61 0.09 0.39 0.04 -1.26 -0.72 135.00 138.57 1ibz s PRO 37 Ca -0.05 0.78 0.09 0.00 0.04 0.00 0.00 61.00 61.86 1ibz s PRO 37 Cb -0.19 -2.08 -0.19 0.00 0.04 0.00 0.00 34.50 32.08 1ibz s PRO 37 CO -0.06 -0.56 1.13 0.93 0.04 0.00 0.00 177.00 178.47 1ibz h GLU 38 N -0.20 0.00 -5.74 4.56 5.08 -1.87 -3.46 114.58 112.95 1ibz h GLU 38 Ca -0.44 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.25 1ibz h GLU 38 Cb 1.19 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 1ibz h GLU 38 CO 0.62 0.81 -0.70 0.99 -1.00 0.00 0.00 179.01 179.72 1ibz s THR 39 N -2.71 3.61 -0.09 1.13 2.01 -1.26 -1.48 115.64 116.84 1ibz s THR 39 Ca -0.00 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1ibz s THR 39 Cb 0.09 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1ibz s THR 39 CO 0.81 0.55 -0.12 -0.76 -0.69 0.00 0.00 174.62 174.42 1ibz s LEU 40 N -0.22 1.55 -0.17 4.42 1.43 0.24 -4.97 118.68 120.95 1ibz s LEU 40 Ca 0.03 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ibz s LEU 40 Cb -0.13 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1ibz s LEU 40 CO 0.03 -0.02 -0.17 -0.69 0.23 0.00 0.00 176.35 175.73 1ibz s VAL 41 N 1.06 2.41 0.41 -1.59 1.01 -1.26 0.51 120.40 122.95 1ibz s VAL 41 Ca -0.06 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1ibz s VAL 41 Cb -0.15 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1ibz s VAL 41 CO -0.01 0.52 0.17 0.68 0.00 0.00 0.00 175.10 176.45 1ibz s VAL 42 N 1.11 0.43 0.07 2.92 -7.23 0.12 -4.96 120.40 112.86 1ibz s VAL 42 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1ibz s VAL 42 Cb -0.14 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1ibz s VAL 42 CO -0.06 0.00 0.04 -0.75 -0.31 0.00 0.00 175.10 174.01 1ibz s LYS 43 N -3.62 2.74 0.29 4.82 2.20 -1.26 -1.16 119.74 123.74 1ibz s LYS 43 Ca 0.25 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 1ibz s LYS 43 Cb 0.02 -2.65 -0.12 0.00 -1.51 0.00 0.00 37.83 33.56 1ibz s LYS 43 CO 0.17 0.57 1.44 1.17 -0.36 0.00 0.00 175.35 178.34 1ibz n LYS 44 N 0.67 2.29 0.00 4.03 4.81 0.41 -1.64 118.16 128.73 1ibz n LYS 44 Ca -0.11 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1ibz n LYS 44 Cb 0.52 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1ibz n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibz n GLY 45 N 1.71 1.50 3.77 3.14 0.00 0.27 -5.00 105.19 110.58 1ibz n GLY 45 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1ibz n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibz s ASP 46 N -2.90 6.63 -0.15 1.61 1.01 -0.65 -4.74 116.67 117.48 1ibz s ASP 46 Ca 0.00 2.36 -0.25 0.00 0.71 0.00 0.00 52.55 55.37 1ibz s ASP 46 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1ibz s ASP 46 CO 0.00 -0.60 0.79 0.00 0.21 0.00 0.00 175.17 175.56 1ibz s ALA 47 N -1.37 3.48 -0.12 5.23 0.00 -1.26 -1.38 121.76 126.33 1ibz s ALA 47 Ca 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1ibz s ALA 47 Cb -0.31 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1ibz s ALA 47 CO 0.40 -0.53 -0.04 0.08 0.00 0.00 0.00 175.76 175.67 1ibz s VAL 48 N 1.85 3.95 -0.11 0.00 1.01 0.22 -4.65 120.40 122.67 1ibz s VAL 48 Ca 0.37 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1ibz s VAL 48 Cb -0.17 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1ibz s VAL 48 CO 0.14 0.54 -0.08 -0.75 0.00 0.00 0.00 175.10 174.95 1ibz s LYS 49 N -0.18 1.51 -0.23 2.72 2.20 -1.26 -1.01 119.74 123.49 1ibz s LYS 49 Ca 0.04 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.41 1ibz s LYS 49 Cb -0.13 -1.55 0.05 0.00 -1.51 0.00 0.00 37.83 34.69 1ibz s LYS 49 CO 0.02 -0.25 -0.12 0.08 -0.36 0.00 0.00 175.35 174.73 1ibz s VAL 50 N 1.63 1.97 -0.56 4.02 1.01 0.27 0.14 120.40 128.89 1ibz s VAL 50 Ca 0.03 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 1ibz s VAL 50 Cb -0.13 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.24 1ibz s VAL 50 CO -0.07 0.09 1.03 -0.69 0.00 0.00 0.00 175.10 175.45 1ibz s VAL 51 N 1.22 4.27 -0.39 2.92 1.01 -0.42 -0.90 120.40 128.12 1ibz s VAL 51 Ca -0.05 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 1ibz s VAL 51 Cb -0.18 -4.60 0.01 0.00 0.00 0.00 0.00 36.38 31.61 1ibz s VAL 51 CO -0.07 -1.18 0.40 -0.69 0.00 0.00 0.00 175.10 173.56 1ibz s VAL 52 N 4.28 5.13 -0.30 2.92 1.01 0.11 -1.70 120.40 131.84 1ibz s VAL 52 Ca 0.35 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1ibz s VAL 52 Cb -0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1ibz s VAL 52 CO 0.22 -0.28 0.20 -1.61 0.00 0.00 0.00 175.10 173.63 1ibz s GLU 53 N 2.07 3.78 -0.51 2.72 2.02 -0.17 -1.08 118.70 127.53 1ibz s GLU 53 Ca 0.12 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.49 1ibz s GLU 53 Cb -0.17 -3.70 0.07 0.00 0.10 0.00 0.00 34.13 30.43 1ibz s GLU 53 CO 0.13 -0.28 0.57 1.21 0.02 0.00 0.00 175.26 176.91 1ibz s ASN 54 N 1.74 6.20 0.00 -0.19 2.47 -0.27 -0.98 114.94 123.91 1ibz s ASN 54 Ca 0.07 -1.13 0.22 0.00 0.42 0.00 0.00 52.86 52.44 1ibz s ASN 54 Cb -0.16 -2.26 0.58 0.00 -1.45 0.00 0.00 41.25 37.95 1ibz s ASN 54 CO 0.11 -0.86 1.47 0.29 -3.72 0.00 0.00 177.10 174.39 1ibz n LYS 55 N 5.91 2.10 -2.49 0.43 4.76 -0.02 -0.51 118.16 128.33 1ibz n LYS 55 Ca -0.09 -1.65 -0.36 0.00 -2.87 0.00 0.00 58.31 53.34 1ibz n LYS 55 Cb 0.44 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1ibz n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ibz s SER 56 N -1.60 6.55 0.00 4.39 0.15 -1.14 -4.62 113.70 117.42 1ibz s SER 56 Ca 0.35 2.06 0.19 0.00 0.70 0.00 0.00 55.95 59.25 1ibz s SER 56 Cb 0.20 -2.58 1.15 0.00 -1.71 0.00 0.00 66.02 63.08 1ibz s SER 56 CO 0.29 -0.64 1.57 -0.81 1.20 0.00 0.00 173.24 174.85 1ibz n PRO 57 N -0.36 0.70 -4.16 5.44 -0.04 -1.26 -3.34 135.00 131.97 1ibz n PRO 57 Ca 0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1ibz n PRO 57 Cb 0.50 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1ibz n PRO 57 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ibz s ILE 58 N -2.00 0.03 0.38 0.52 -4.36 -1.26 -4.85 121.20 109.66 1ibz s ILE 58 Ca 0.29 -1.91 -0.27 0.00 -0.26 0.00 0.00 60.65 58.49 1ibz s ILE 58 Cb 0.13 -2.35 -0.11 0.00 1.25 0.00 0.00 42.46 41.38 1ibz s ILE 58 CO 0.22 -0.12 1.40 -1.20 0.24 0.00 0.00 174.94 175.48 1ibz n SER 59 N -0.24 3.29 -4.27 4.36 7.64 -1.26 -4.00 113.62 119.14 1ibz n SER 59 Ca -0.00 1.20 -0.21 0.00 1.01 0.00 0.00 58.87 60.86 1ibz n SER 59 Cb 0.65 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.17 1ibz n SER 59 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ibz s GLU 60 N -2.09 1.10 0.09 1.43 0.41 -0.29 -4.93 118.70 114.42 1ibz s GLU 60 Ca 0.56 -1.21 0.05 0.00 -0.41 0.00 0.00 54.97 53.95 1ibz s GLU 60 Cb -0.50 -1.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.61 1ibz s GLU 60 CO 0.62 0.26 -0.01 0.20 -0.49 0.00 0.00 175.26 175.84 1ibz s GLY 61 N -2.19 1.90 -0.22 -1.39 0.00 -1.26 0.13 107.32 104.29 1ibz s GLY 61 Ca 0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1ibz s GLY 61 CO 0.04 -1.10 0.10 -0.12 0.00 0.00 0.00 173.10 172.03 1ibz s PHE 62 N -1.28 0.37 0.06 1.90 5.36 -0.52 -4.11 117.98 119.75 1ibz s PHE 62 Ca 0.25 -0.63 0.05 0.00 -0.96 0.00 0.00 56.93 55.64 1ibz s PHE 62 Cb -0.12 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.70 1ibz s PHE 62 CO 0.17 -0.66 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.01 1ibz s SER 63 N 2.08 1.74 -0.35 6.13 0.01 0.51 -1.24 113.70 122.58 1ibz s SER 63 Ca 0.05 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1ibz s SER 63 Cb -0.16 -0.09 0.15 0.00 0.21 0.00 0.00 66.02 66.13 1ibz s SER 63 CO -0.20 -0.01 0.31 -0.63 0.41 0.00 0.00 173.24 173.12 1ibz s ILE 64 N -1.05 -0.21 0.20 1.44 1.01 0.19 -1.75 121.20 121.02 1ibz s ILE 64 Ca 0.00 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 1ibz s ILE 64 Cb -0.09 -0.85 0.16 0.00 0.01 0.00 0.00 42.46 41.69 1ibz s ILE 64 CO 0.02 -0.67 1.58 0.44 0.00 0.00 0.00 174.94 176.31 1ibz h ASP 65 N 7.32 -1.14 -1.25 3.58 5.19 -1.78 -1.91 116.42 126.43 1ibz h ASP 65 Ca 0.01 0.24 0.36 0.00 -0.62 0.00 0.00 57.03 57.02 1ibz h ASP 65 Cb 1.04 0.58 -0.06 0.00 0.18 0.00 0.00 39.33 41.07 1ibz h ASP 65 CO 0.25 -0.30 0.89 0.00 -3.12 0.00 0.00 179.24 176.96 1ibz h ALA 66 N 1.13 3.09 -0.12 3.45 0.00 -1.94 -0.47 119.26 124.41 1ibz h ALA 66 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ibz h ALA 66 Cb 0.56 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ibz h ALA 66 CO -0.73 -1.47 -0.10 1.19 0.00 0.00 0.00 179.25 178.15 1ibz n PHE 67 N -4.22 0.39 -2.08 0.00 3.01 -0.78 -4.97 117.46 108.82 1ibz n PHE 67 Ca 0.28 -1.14 -0.21 0.00 1.01 0.00 0.00 57.45 57.38 1ibz n PHE 67 Cb 1.29 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 40.46 1ibz n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ibz n GLY 68 N -1.11 0.52 3.53 1.37 0.00 -0.18 -4.94 105.19 104.38 1ibz n GLY 68 Ca 0.20 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1ibz n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibz s VAL 69 N -2.94 4.66 -0.31 1.61 1.01 -0.84 -4.96 120.40 118.64 1ibz s VAL 69 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1ibz s VAL 69 Cb 0.00 -4.32 0.11 0.00 0.00 0.00 0.00 36.38 32.17 1ibz s VAL 69 CO 0.00 -0.73 0.14 -1.58 0.00 0.00 0.00 175.10 172.93 1ibz s GLN 70 N 3.25 0.39 0.18 2.72 0.74 -1.26 0.54 119.66 126.22 1ibz s GLN 70 Ca 0.28 -0.82 0.09 0.00 0.05 0.00 0.00 55.36 54.96 1ibz s GLN 70 Cb -0.13 -1.39 -0.04 0.00 1.10 0.00 0.00 33.01 32.55 1ibz s GLN 70 CO 0.22 -1.05 -0.18 -2.00 -0.55 0.00 0.00 175.29 171.72 1ibz s GLU 71 N 1.77 1.33 -0.09 1.67 2.56 -0.37 -5.01 118.70 120.57 1ibz s GLU 71 Ca 0.11 -1.48 0.01 0.00 0.00 0.00 0.00 54.97 53.62 1ibz s GLU 71 Cb -0.18 -1.36 0.02 0.00 2.00 0.00 0.00 34.13 34.61 1ibz s GLU 71 CO -0.27 0.27 -0.11 0.08 -0.56 0.00 0.00 175.26 174.66 1ibz s VAL 72 N -2.23 1.17 -0.26 3.70 1.01 -1.26 -1.44 120.40 121.09 1ibz s VAL 72 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1ibz s VAL 72 Cb -0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1ibz s VAL 72 CO 0.08 0.37 0.03 -0.63 0.00 0.00 0.00 175.10 174.95 1ibz s ILE 73 N 1.00 3.83 0.67 2.22 -1.09 0.12 -4.95 121.20 123.00 1ibz s ILE 73 Ca -0.08 -0.50 -0.18 0.00 -2.23 0.00 0.00 60.65 57.67 1ibz s ILE 73 Cb -0.15 -2.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1ibz s ILE 73 CO -0.00 0.26 1.29 -0.54 -1.23 0.00 0.00 174.94 174.72 1ibz s LYS 74 N 1.52 2.45 0.12 2.79 1.02 -1.26 -1.13 119.74 125.24 1ibz s LYS 74 Ca 0.05 2.04 -0.35 0.00 0.02 0.00 0.00 55.97 57.72 1ibz s LYS 74 Cb -0.16 -1.84 -0.15 0.00 -0.52 0.00 0.00 37.83 35.17 1ibz s LYS 74 CO 0.01 -1.67 1.51 0.00 -0.92 0.00 0.00 175.35 174.28 1ibz n ALA 75 N -2.06 0.56 -1.02 5.17 0.00 -1.26 -1.48 120.51 120.43 1ibz n ALA 75 Ca 0.16 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 54.05 1ibz n ALA 75 Cb 0.48 -2.26 -0.00 0.00 0.00 0.00 0.00 19.45 17.67 1ibz n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibz n GLY 76 N 3.17 0.30 3.82 0.00 0.00 0.33 -4.97 105.19 107.84 1ibz n GLY 76 Ca 0.18 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1ibz n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ibz s GLU 77 N -1.07 2.49 -0.05 1.61 -1.05 -0.55 -4.86 118.70 115.22 1ibz s GLU 77 Ca 0.00 -1.54 0.06 0.00 -0.15 0.00 0.00 54.97 53.33 1ibz s GLU 77 Cb 0.00 -2.29 -0.01 0.00 -0.44 0.00 0.00 34.13 31.39 1ibz s GLU 77 CO 0.00 -0.06 -0.22 0.99 0.95 0.00 0.00 175.26 176.92 1ibz s THR 78 N -2.45 1.80 -0.02 1.83 2.01 -1.26 -1.11 115.64 116.44 1ibz s THR 78 Ca 0.43 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1ibz s THR 78 Cb -0.02 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1ibz s THR 78 CO 0.26 0.51 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.91 1ibz s LYS 79 N -0.16 0.52 -0.29 4.92 2.20 -0.24 -4.98 119.74 121.71 1ibz s LYS 79 Ca -0.01 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 1ibz s LYS 79 Cb -0.12 -0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 35.61 1ibz s LYS 79 CO 0.02 -0.01 0.43 0.99 -0.36 0.00 0.00 175.35 176.42 1ibz s THR 80 N 0.47 5.13 -0.16 3.43 2.01 -1.26 -0.71 115.64 124.55 1ibz s THR 80 Ca -0.05 0.55 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 1ibz s THR 80 Cb -0.09 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1ibz s THR 80 CO -0.00 0.06 0.01 -0.63 -0.69 0.00 0.00 174.62 173.37 1ibz s ILE 81 N 2.17 4.37 0.02 1.82 1.01 -0.08 -4.93 121.20 125.58 1ibz s ILE 81 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1ibz s ILE 81 Cb -0.16 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1ibz s ILE 81 CO 0.10 0.50 -0.03 -0.94 0.00 0.00 0.00 174.94 174.57 1ibz s SER 82 N 0.16 0.35 0.11 3.58 1.04 -1.26 0.93 113.70 118.62 1ibz s SER 82 Ca 0.02 -0.33 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 1ibz s SER 82 Cb -0.13 0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.11 1ibz s SER 82 CO 0.02 -0.16 0.95 0.72 0.98 0.00 0.00 173.24 175.75 1ibz s PHE 83 N -0.90 -0.18 -0.22 5.02 -0.71 -0.18 -4.99 117.98 115.82 1ibz s PHE 83 Ca -0.08 -0.08 -0.08 0.00 -1.04 0.00 0.00 56.93 55.65 1ibz s PHE 83 Cb -0.06 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1ibz s PHE 83 CO -0.00 -0.74 0.08 0.99 -1.34 0.00 0.00 175.22 174.20 1ibz s THR 84 N -3.22 4.65 -1.26 -4.49 2.01 -1.26 0.70 115.64 112.77 1ibz s THR 84 Ca 0.11 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1ibz s THR 84 Cb -0.01 -3.14 0.09 0.00 0.01 0.00 0.00 72.50 69.45 1ibz s THR 84 CO -0.01 0.38 1.65 0.00 -0.69 0.00 0.00 174.62 175.95 1ibz s ALA 85 N 1.08 3.42 -2.08 7.40 0.00 -0.48 -4.76 121.76 126.34 1ibz s ALA 85 Ca 0.05 -2.97 0.13 0.00 0.00 0.00 0.00 51.96 49.17 1ibz s ALA 85 Cb -0.14 -4.53 0.49 0.00 0.00 0.00 0.00 23.12 18.94 1ibz s ALA 85 CO 0.03 -3.21 1.36 -0.40 0.00 0.00 0.00 175.76 173.54 1ibz n ASP 86 N 7.84 1.27 -3.87 0.00 5.68 -1.26 0.97 116.55 127.17 1ibz n ASP 86 Ca 0.45 -1.84 -0.17 0.00 -0.50 0.00 0.00 54.79 52.73 1ibz n ASP 86 Cb 0.46 -0.13 -0.16 0.00 -1.14 0.00 0.00 41.12 40.15 1ibz n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1ibz s LYS 87 N -1.74 0.45 0.43 0.11 1.02 -1.26 -4.81 119.74 113.93 1ibz s LYS 87 Ca 0.23 -0.04 -0.15 0.00 0.02 0.00 0.00 55.97 56.02 1ibz s LYS 87 Cb 0.12 -0.52 -0.08 0.00 -0.52 0.00 0.00 37.83 36.82 1ibz s LYS 87 CO 0.17 -0.05 0.87 0.00 -0.92 0.00 0.00 175.35 175.42 1ibz s ALA 88 N 0.65 3.19 0.00 5.17 0.00 -1.26 -4.73 121.76 124.78 1ibz s ALA 88 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1ibz s ALA 88 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1ibz s ALA 88 CO -0.01 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1ibz n GLY 89 N -1.08 0.70 2.99 0.00 0.00 0.18 -4.95 105.19 103.05 1ibz n GLY 89 Ca 0.05 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1ibz n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibz s ALA 90 N -1.00 1.59 -0.02 4.61 0.00 -1.26 -0.92 121.76 124.76 1ibz s ALA 90 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1ibz s ALA 90 Cb 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1ibz s ALA 90 CO 0.00 -0.27 -0.18 -0.06 0.00 0.00 0.00 175.76 175.25 1ibz s PHE 91 N 1.35 1.67 0.20 0.00 0.40 0.13 -4.97 117.98 116.76 1ibz s PHE 91 Ca 0.00 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1ibz s PHE 91 Cb -0.14 -1.09 -0.09 0.00 0.51 0.00 0.00 43.02 42.22 1ibz s PHE 91 CO -0.06 -0.07 1.29 0.99 0.70 0.00 0.00 175.22 178.07 1ibz s THR 92 N -0.30 3.27 -0.33 0.64 2.01 -1.26 -0.01 115.64 119.66 1ibz s THR 92 Ca 0.04 1.06 -0.09 0.00 0.31 0.00 0.00 61.69 63.01 1ibz s THR 92 Cb -0.08 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1ibz s THR 92 CO 0.00 0.16 0.14 -0.63 -0.69 0.00 0.00 174.62 173.60 1ibz s ILE 93 N 0.07 4.25 0.17 1.82 1.01 -0.16 -4.38 121.20 123.97 1ibz s ILE 93 Ca 0.56 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1ibz s ILE 93 Cb -0.36 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1ibz s ILE 93 CO 0.38 -0.05 0.05 -1.66 0.00 0.00 0.00 174.94 173.66 1ibz s TRP 94 N 1.53 1.11 -0.27 3.97 1.48 -0.72 0.08 118.94 126.12 1ibz s TRP 94 Ca 0.02 -1.17 -0.10 0.00 -1.06 0.00 0.00 56.10 53.79 1ibz s TRP 94 Cb -0.18 -0.62 -0.05 0.00 -1.16 0.00 0.00 33.47 31.46 1ibz s TRP 94 CO 0.05 -0.40 0.17 0.00 -4.06 0.00 0.00 176.95 172.71 1ibz n GLN 96 N 5.02 1.00 -0.07 0.00 0.00 -1.26 -3.92 117.38 118.14 1ibz n GLN 96 Ca -0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 57.00 56.48 1ibz n GLN 96 Cb 0.52 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 29.11 1ibz n GLN 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ibz n LEU 97 N -0.76 0.54 -4.53 2.61 4.77 -1.26 -5.02 117.00 113.35 1ibz n LEU 97 Ca 0.19 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.09 1ibz n LEU 97 Cb 0.22 0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1ibz n LEU 97 CO 0.20 0.48 -0.31 -1.00 -1.33 0.00 0.00 177.39 175.42 1ibz s HIS 98 N -2.54 2.26 0.21 -1.77 3.76 -1.25 -5.09 115.29 110.87 1ibz s HIS 98 Ca -0.09 -0.72 -0.31 0.00 -0.15 0.00 0.00 55.06 53.79 1ibz s HIS 98 Cb 0.07 -1.47 -0.10 0.00 1.11 0.00 0.00 32.58 32.18 1ibz s HIS 98 CO 0.82 0.33 1.55 -2.14 -0.85 0.00 0.00 174.74 174.45 1ibz s PRO 99 N -3.74 4.21 0.51 8.40 0.02 -1.26 -4.82 135.00 138.31 1ibz s PRO 99 Ca 0.34 2.40 0.31 0.00 0.02 0.00 0.00 61.00 64.07 1ibz s PRO 99 Cb 0.07 -3.12 1.43 0.00 0.02 0.00 0.00 34.50 32.90 1ibz s PRO 99 CO 0.16 -0.57 1.83 0.87 -0.33 0.00 0.00 177.00 178.95 1ibz h LYS 100 N 6.03 0.09 -0.37 5.54 6.56 -1.87 0.16 116.57 132.71 1ibz h LYS 100 Ca -0.44 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1ibz h LYS 100 Cb 1.21 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1ibz h LYS 100 CO 0.86 0.06 0.00 0.27 -2.06 0.00 0.00 179.45 178.58 1ibz n ASN 101 N -4.31 2.50 -0.06 0.86 6.94 -1.26 -3.36 115.26 116.58 1ibz n ASN 101 Ca 0.23 -1.91 -0.08 0.00 -0.02 0.00 0.00 54.58 52.80 1ibz n ASN 101 Cb 1.07 -0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 38.22 1ibz n ASN 101 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1ibz n ILE 102 N 0.86 1.39 -3.17 1.53 2.08 0.43 -4.74 119.36 117.74 1ibz n ILE 102 Ca 0.17 0.15 -0.46 0.00 0.56 0.00 0.00 62.75 63.18 1ibz n ILE 102 Cb 0.43 -2.09 -0.03 0.00 -0.75 0.00 0.00 39.64 37.20 1ibz n ILE 102 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1ibz s HIS 103 N -2.62 3.37 0.29 1.39 2.46 -0.47 -0.90 115.29 118.82 1ibz s HIS 103 Ca -0.22 -1.52 -0.30 0.00 0.47 0.00 0.00 55.06 53.49 1ibz s HIS 103 Cb 0.04 -3.98 -0.11 0.00 -0.13 0.00 0.00 32.58 28.39 1ibz s HIS 103 CO 0.32 -1.19 1.57 -0.51 -2.47 0.00 0.00 174.74 172.45 1ibz s LEU 104 N 1.55 4.35 0.79 8.88 1.43 -0.98 -4.44 118.68 130.25 1ibz s LEU 104 Ca 0.19 2.93 -0.11 0.00 -1.03 0.00 0.00 54.13 56.11 1ibz s LEU 104 Cb -0.14 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.51 1ibz s LEU 104 CO -0.04 -0.89 1.08 -2.84 0.23 0.00 0.00 176.35 173.89 1ibz s PRO 105 N -0.59 2.16 0.00 1.29 0.02 -1.26 -4.57 135.00 132.05 1ibz s PRO 105 Ca 0.62 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1ibz s PRO 105 Cb -0.47 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1ibz s PRO 105 CO 0.48 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1ibz n GLY 106 N -1.56 5.22 2.96 0.52 0.00 0.11 -4.95 105.19 107.49 1ibz n GLY 106 Ca 0.08 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1ibz n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibz s THR 107 N -0.79 0.02 -0.28 2.61 2.01 -0.55 -0.99 115.64 117.66 1ibz s THR 107 Ca 0.00 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 1ibz s THR 107 Cb 0.00 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1ibz s THR 107 CO 0.00 -0.08 0.05 -0.22 -0.69 0.00 0.00 174.62 173.69 1ibz s LEU 108 N -0.21 3.66 -0.24 4.42 2.96 0.99 -0.59 118.68 129.67 1ibz s LEU 108 Ca -0.03 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.16 1ibz s LEU 108 Cb -0.02 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1ibz s LEU 108 CO 0.00 -0.16 0.03 0.20 -1.32 0.00 0.00 176.35 175.10 1ibz s ASN 109 N 1.49 4.84 -0.41 3.68 0.01 0.18 -0.69 114.94 124.04 1ibz s ASN 109 Ca 0.03 -0.27 -0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1ibz s ASN 109 Cb -0.17 -1.86 0.10 0.00 0.41 0.00 0.00 41.25 39.74 1ibz s ASN 109 CO 0.01 -0.02 0.22 -0.69 -1.51 0.00 0.00 177.10 175.11 1ibz s VAL 110 N 1.54 3.59 0.34 1.60 1.01 -0.10 0.15 120.40 128.53 1ibz s VAL 110 Ca 0.06 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.15 1ibz s VAL 110 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1ibz s VAL 110 CO 0.01 -0.62 0.63 0.68 0.00 0.00 0.00 175.10 175.81 1ibz s VAL 111 N 1.24 4.95 -2.00 2.92 -7.23 -0.31 -0.64 120.40 119.33 1ibz s VAL 111 Ca 0.06 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1ibz s VAL 111 Cb -0.23 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1ibz s VAL 111 CO -0.02 -0.42 0.51 -0.62 -0.31 0.00 0.00 175.10 174.24