#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibz n HIS 2 N 0.00 0.00 -4.40 -0.32 8.25 -1.26 -4.96 115.22 112.53 1ibz n HIS 2 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1ibz n HIS 2 Cb 0.00 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.00 1ibz n HIS 2 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ibz s ASN 3 N -2.15 2.02 -0.02 0.41 4.22 -1.26 -4.73 114.94 113.43 1ibz s ASN 3 Ca 0.30 -1.60 -0.08 0.00 -2.14 0.00 0.00 52.86 49.33 1ibz s ASN 3 Cb 0.20 0.40 -0.05 0.00 1.28 0.00 0.00 41.25 43.09 1ibz s ASN 3 CO 0.39 -0.90 0.28 -0.36 -2.04 0.00 0.00 177.10 174.47 1ibz s PHE 4 N -3.44 3.61 -0.19 1.54 0.08 -0.11 -4.97 117.98 114.50 1ibz s PHE 4 Ca 0.32 0.66 -0.03 0.00 0.12 0.00 0.00 56.93 58.01 1ibz s PHE 4 Cb 0.04 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1ibz s PHE 4 CO 0.17 0.64 -0.08 -0.80 -0.10 0.00 0.00 175.22 175.05 1ibz s ASN 5 N -1.44 4.14 -0.08 1.36 0.01 -1.26 0.27 114.94 117.94 1ibz s ASN 5 Ca 0.24 -0.39 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1ibz s ASN 5 Cb -0.14 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 39.85 1ibz s ASN 5 CO 0.13 0.03 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.92 1ibz s VAL 6 N 1.17 1.33 -0.17 1.60 1.01 -0.58 -4.28 120.40 120.48 1ibz s VAL 6 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1ibz s VAL 6 Cb -0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1ibz s VAL 6 CO -0.02 0.40 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 1ibz s VAL 7 N 0.73 3.73 -0.29 2.92 1.01 0.22 -0.79 120.40 127.92 1ibz s VAL 7 Ca -0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 1ibz s VAL 7 Cb -0.16 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1ibz s VAL 7 CO 0.03 0.47 0.32 -0.63 0.00 0.00 0.00 175.10 175.29 1ibz s ILE 8 N 0.69 5.21 0.04 2.22 1.01 0.26 -1.00 121.20 129.64 1ibz s ILE 8 Ca -0.02 0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.03 1ibz s ILE 8 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1ibz s ILE 8 CO 0.02 0.12 -0.25 0.20 0.00 0.00 0.00 174.94 175.03 1ibz s ASN 9 N 1.70 3.02 -0.08 3.58 0.01 -0.33 -0.22 114.94 122.61 1ibz s ASN 9 Ca 0.12 -0.57 -0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1ibz s ASN 9 Cb -0.16 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 1ibz s ASN 9 CO 0.11 0.24 0.15 0.00 -1.51 0.00 0.00 177.10 176.09 1ibz s ALA 10 N -0.80 3.90 -0.15 0.60 0.00 -1.26 -0.51 121.76 123.54 1ibz s ALA 10 Ca 0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1ibz s ALA 10 Cb -0.10 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.13 1ibz s ALA 10 CO 0.02 0.67 -0.02 0.71 0.00 0.00 0.00 175.76 177.14 1ibz s TYR 11 N -1.14 1.31 -0.52 0.00 1.51 0.11 -4.99 117.35 113.63 1ibz s TYR 11 Ca 0.20 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.37 1ibz s TYR 11 Cb -0.12 -1.13 0.14 0.00 -0.11 0.00 0.00 41.96 40.73 1ibz s TYR 11 CO 0.09 -0.55 0.36 0.34 -1.11 0.00 0.00 175.55 174.68 1ibz s ASP 12 N 1.76 5.46 -0.24 2.29 -1.08 -1.26 -1.32 116.67 122.27 1ibz s ASP 12 Ca 0.01 -2.33 -0.05 0.00 -0.52 0.00 0.00 52.55 49.66 1ibz s ASP 12 Cb -0.15 -1.91 -0.01 0.00 -1.46 0.00 0.00 42.92 39.39 1ibz s ASP 12 CO -0.07 -0.52 0.01 -0.89 0.52 0.00 0.00 175.17 174.22 1ibz s THR 13 N 0.72 3.79 -0.26 1.71 2.01 -0.07 -5.03 115.64 118.52 1ibz s THR 13 Ca 0.11 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1ibz s THR 13 Cb -0.22 -2.78 0.08 0.00 0.01 0.00 0.00 72.50 69.59 1ibz s THR 13 CO -0.03 0.35 0.05 -0.89 -0.69 0.00 0.00 174.62 173.40 1ibz s THR 14 N 1.53 0.92 -0.47 -0.82 2.01 -1.26 -1.02 115.64 116.52 1ibz s THR 14 Ca 0.06 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1ibz s THR 14 Cb -0.15 -1.51 0.15 0.00 0.01 0.00 0.00 72.50 71.00 1ibz s THR 14 CO -0.00 -0.41 0.30 -0.63 -0.69 0.00 0.00 174.62 173.19 1ibz s ILE 15 N 1.64 1.31 0.57 1.82 1.01 0.74 -4.97 121.20 123.32 1ibz s ILE 15 Ca 0.03 -2.81 0.43 0.00 0.00 0.00 0.00 60.65 58.30 1ibz s ILE 15 Cb -0.18 -1.90 0.44 0.00 0.01 0.00 0.00 42.46 40.83 1ibz s ILE 15 CO -0.16 -1.00 2.31 1.55 0.00 0.00 0.00 174.94 177.64 1ibz h PRO 16 N 6.27 0.00 -2.63 2.79 0.13 -1.92 -1.22 132.00 135.41 1ibz h PRO 16 Ca 0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 1ibz h PRO 16 Cb 0.90 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.75 1ibz h PRO 16 CO 0.48 0.00 -0.36 -2.00 -0.23 0.00 0.00 178.00 175.89 1ibz s GLU 17 N -4.07 0.33 -0.14 0.86 2.56 -1.26 -0.48 118.70 116.50 1ibz s GLU 17 Ca -0.04 0.88 -0.03 0.00 0.00 0.00 0.00 54.97 55.77 1ibz s GLU 17 Cb 0.12 0.12 0.05 0.00 2.00 0.00 0.00 34.13 36.42 1ibz s GLU 17 CO 0.42 -0.21 0.06 -1.17 -0.56 0.00 0.00 175.26 173.80 1ibz s LEU 18 N 2.00 0.57 -0.28 2.70 2.96 -0.19 -5.01 118.68 121.42 1ibz s LEU 18 Ca -0.05 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1ibz s LEU 18 Cb -0.10 -0.35 0.07 0.00 0.50 0.00 0.00 46.19 46.31 1ibz s LEU 18 CO -0.12 -0.30 -0.06 0.21 -1.32 0.00 0.00 176.35 174.75 1ibz s ASN 19 N 2.05 4.56 -0.14 3.68 3.84 -1.26 -0.73 114.94 126.94 1ibz s ASN 19 Ca 0.02 -1.57 0.02 0.00 0.21 0.00 0.00 52.86 51.54 1ibz s ASN 19 Cb -0.15 -1.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.97 1ibz s ASN 19 CO -0.07 -0.24 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.11 1ibz s VAL 20 N 1.07 2.33 -1.50 -5.21 1.01 -0.19 -4.69 120.40 113.22 1ibz s VAL 20 Ca -0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1ibz s VAL 20 Cb -0.20 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.33 1ibz s VAL 20 CO -0.05 0.54 0.79 -0.62 0.00 0.00 0.00 175.10 175.75 1ibz n GLU 21 N 3.94 -4.43 -0.08 2.72 1.02 -1.26 -0.93 120.64 121.63 1ibz n GLU 21 Ca -0.19 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ibz n GLU 21 Cb 0.52 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.59 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 -1.48 2.33 3.75 0.62 0.00 -1.26 -5.02 105.19 104.13 1ibz n GLY 22 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.90 5.21 -0.04 1.61 1.01 -0.10 -5.08 120.40 120.11 1ibz s VAL 23 Ca 0.00 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1ibz s VAL 23 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1ibz s VAL 23 CO 0.00 0.41 -0.16 -0.89 0.00 0.00 0.00 175.10 174.46 1ibz s THR 24 N 0.20 2.96 -0.05 3.92 2.01 -1.26 -1.02 115.64 122.40 1ibz s THR 24 Ca 0.22 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1ibz s THR 24 Cb -0.14 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.23 1ibz s THR 24 CO 0.08 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1ibz s VAL 25 N -0.74 0.55 0.25 3.82 1.01 0.09 -5.00 120.40 120.39 1ibz s VAL 25 Ca 0.12 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1ibz s VAL 25 Cb -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1ibz s VAL 25 CO 0.01 0.24 -0.01 -0.54 0.00 0.00 0.00 175.10 174.80 1ibz s LYS 26 N 1.03 2.29 -1.26 2.72 1.02 -1.26 -1.03 119.74 123.25 1ibz s LYS 26 Ca -0.09 -1.39 -0.12 0.00 0.02 0.00 0.00 55.97 54.39 1ibz s LYS 26 Cb -0.14 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1ibz s LYS 26 CO -0.00 0.38 0.64 0.09 -0.92 0.00 0.00 175.35 175.53 1ibz n ASN 27 N -0.78 -3.04 -4.64 2.83 3.02 0.37 -4.93 115.26 108.09 1ibz n ASN 27 Ca -0.07 -1.01 -0.40 0.00 -0.03 0.00 0.00 54.58 53.07 1ibz n ASN 27 Cb 0.58 -3.24 -0.07 0.00 -0.61 0.00 0.00 39.78 36.45 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 -3.67 5.08 -0.21 2.41 1.01 -0.46 -4.93 121.20 120.41 1ibz s ILE 28 Ca 0.26 0.95 -0.04 0.00 0.00 0.00 0.00 60.65 61.82 1ibz s ILE 28 Cb -0.10 -3.85 0.10 0.00 0.01 0.00 0.00 42.46 38.63 1ibz s ILE 28 CO 0.87 0.12 0.26 -0.60 0.00 0.00 0.00 174.94 175.59 1ibz s ARG 29 N 2.02 0.23 -0.02 2.79 3.00 -1.26 -0.18 118.95 125.53 1ibz s ARG 29 Ca 0.23 0.28 -0.00 0.00 -1.00 0.00 0.00 55.73 55.24 1ibz s ARG 29 Cb -0.16 -1.04 0.03 0.00 0.00 0.00 0.00 34.95 33.78 1ibz s ARG 29 CO 0.09 -0.65 0.04 0.00 0.00 0.00 0.00 175.30 174.78 1ibz s ALA 30 N 2.38 0.01 -0.11 6.12 0.00 -0.19 -5.03 121.76 124.94 1ibz s ALA 30 Ca 0.08 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1ibz s ALA 30 Cb -0.16 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1ibz s ALA 30 CO -0.13 -0.10 -0.22 0.12 0.00 0.00 0.00 175.76 175.44 1ibz s PHE 31 N 0.90 2.46 0.07 0.00 5.36 -1.26 -0.89 117.98 124.63 1ibz s PHE 31 Ca -0.07 -1.11 -0.15 0.00 -0.96 0.00 0.00 56.93 54.64 1ibz s PHE 31 Cb -0.11 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.93 1ibz s PHE 31 CO -0.03 -0.48 0.35 -0.80 -1.46 0.00 0.00 175.22 172.80 1ibz s ASN 32 N 0.60 -0.17 -0.11 6.13 0.01 -0.44 -4.83 114.94 116.13 1ibz s ASN 32 Ca -0.13 -0.23 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1ibz s ASN 32 Cb -0.17 0.41 -0.00 0.00 0.41 0.00 0.00 41.25 41.90 1ibz s ASN 32 CO 0.04 -0.72 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.00 1ibz s VAL 33 N -3.07 2.20 0.07 1.60 1.01 -0.57 0.08 120.40 121.72 1ibz s VAL 33 Ca -0.01 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1ibz s VAL 33 Cb 0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1ibz s VAL 33 CO -0.07 0.55 -0.25 -0.76 0.00 0.00 0.00 175.10 174.57 1ibz s LEU 34 N 0.44 2.22 -0.20 3.92 1.43 0.34 -2.58 118.68 124.24 1ibz s LEU 34 Ca -0.16 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.18 1ibz s LEU 34 Cb -0.17 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1ibz s LEU 34 CO 0.06 0.20 0.27 0.20 0.23 0.00 0.00 176.35 177.32 1ibz s ASN 35 N -1.52 6.32 -0.19 2.29 -0.87 -1.26 -1.19 114.94 118.52 1ibz s ASN 35 Ca 0.11 0.37 -0.01 0.00 -1.57 0.00 0.00 52.86 51.76 1ibz s ASN 35 Cb -0.10 -2.17 0.05 0.00 -0.02 0.00 0.00 41.25 39.01 1ibz s ASN 35 CO 0.03 0.04 -0.04 -1.61 -2.57 0.00 0.00 177.10 172.95 1ibz s GLU 36 N 0.92 1.34 0.77 -0.60 2.02 -0.17 -2.56 118.70 120.43 1ibz s GLU 36 Ca 0.14 -0.61 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 1ibz s GLU 36 Cb -0.14 -2.15 0.05 0.00 0.10 0.00 0.00 34.13 31.99 1ibz s GLU 36 CO 0.05 -0.51 1.13 -1.25 0.02 0.00 0.00 175.26 174.70 1ibz s PRO 37 N 1.62 2.34 -0.01 0.39 0.04 -1.26 -0.61 135.00 137.50 1ibz s PRO 37 Ca -0.01 0.35 0.07 0.00 0.04 0.00 0.00 61.00 61.45 1ibz s PRO 37 Cb -0.16 -1.97 -0.24 0.00 0.04 0.00 0.00 34.50 32.17 1ibz s PRO 37 CO -0.07 -1.38 0.79 0.93 0.04 0.00 0.00 177.00 177.31 1ibz h GLU 38 N -0.91 0.07 -5.33 4.56 5.08 -1.89 -3.46 114.58 112.70 1ibz h GLU 38 Ca -0.46 -0.12 -0.63 0.00 -1.00 0.00 0.00 59.36 57.15 1ibz h GLU 38 Cb 1.29 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.40 1ibz h GLU 38 CO 0.64 0.77 -0.61 0.99 -1.00 0.00 0.00 179.01 179.80 1ibz s THR 39 N -2.62 4.39 -0.15 1.13 2.01 -1.26 -2.00 115.64 117.14 1ibz s THR 39 Ca -0.06 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1ibz s THR 39 Cb 0.08 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.66 1ibz s THR 39 CO 0.82 0.48 -0.18 -0.76 -0.69 0.00 0.00 174.62 174.30 1ibz s LEU 40 N 0.28 1.92 -0.12 4.42 1.43 -0.43 -4.99 118.68 121.18 1ibz s LEU 40 Ca 0.01 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1ibz s LEU 40 Cb -0.13 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1ibz s LEU 40 CO 0.01 0.01 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 1ibz s VAL 41 N 1.17 2.99 0.24 -1.59 1.01 -1.26 -0.76 120.40 122.20 1ibz s VAL 41 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1ibz s VAL 41 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1ibz s VAL 41 CO -0.07 0.53 0.18 0.68 0.00 0.00 0.00 175.10 176.41 1ibz s VAL 42 N 0.30 0.00 0.03 2.92 -7.23 0.27 -4.98 120.40 111.72 1ibz s VAL 42 Ca -0.11 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1ibz s VAL 42 Cb -0.16 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1ibz s VAL 42 CO 0.06 0.00 0.24 -0.54 -0.31 0.00 0.00 175.10 174.54 1ibz s LYS 43 N -3.96 3.50 0.25 4.82 1.02 -1.26 -0.55 119.74 123.56 1ibz s LYS 43 Ca 0.39 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.82 1ibz s LYS 43 Cb 0.06 -3.05 -0.13 0.00 -0.52 0.00 0.00 37.83 34.19 1ibz s LYS 43 CO 0.16 0.63 1.44 1.17 -0.92 0.00 0.00 175.35 177.83 1ibz n LYS 44 N 0.74 2.14 0.00 1.68 4.81 0.63 -1.28 118.16 126.89 1ibz n LYS 44 Ca -0.09 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1ibz n LYS 44 Cb 0.52 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 2.20 2.85 3.77 3.14 0.00 0.26 -5.01 105.19 112.40 1ibz n GLY 45 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.37 6.12 -0.26 1.61 -0.00 -0.40 -4.64 116.67 117.72 1ibz s ASP 46 Ca 0.00 3.02 -0.24 0.00 -0.00 0.00 0.00 52.55 55.33 1ibz s ASP 46 Cb 0.00 -2.66 -0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1ibz s ASP 46 CO 0.00 -1.02 0.81 0.00 -0.00 0.00 0.00 175.17 174.96 1ibz s ALA 47 N -1.15 3.61 -0.12 5.23 0.00 -1.26 -1.47 121.76 126.60 1ibz s ALA 47 Ca 0.56 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 1ibz s ALA 47 Cb -0.46 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1ibz s ALA 47 CO 0.61 -1.01 0.11 0.08 0.00 0.00 0.00 175.76 175.55 1ibz s VAL 48 N 2.87 5.25 -0.09 0.00 1.01 0.12 -4.98 120.40 124.59 1ibz s VAL 48 Ca 0.34 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1ibz s VAL 48 Cb -0.15 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1ibz s VAL 48 CO 0.09 0.59 0.00 -0.54 0.00 0.00 0.00 175.10 175.25 1ibz s LYS 49 N -0.80 0.64 -0.25 2.72 1.02 -1.26 -1.33 119.74 120.48 1ibz s LYS 49 Ca 0.13 0.04 0.02 0.00 0.02 0.00 0.00 55.97 56.19 1ibz s LYS 49 Cb -0.12 -1.11 0.05 0.00 -0.52 0.00 0.00 37.83 36.13 1ibz s LYS 49 CO 0.03 -0.34 -0.11 0.08 -0.92 0.00 0.00 175.35 174.09 1ibz s VAL 50 N 1.95 2.23 -0.62 3.17 1.01 0.22 -0.93 120.40 127.44 1ibz s VAL 50 Ca 0.04 -1.50 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 1ibz s VAL 50 Cb -0.13 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1ibz s VAL 50 CO -0.06 0.06 1.01 -0.69 0.00 0.00 0.00 175.10 175.42 1ibz s VAL 51 N 1.15 4.25 -0.34 2.92 1.01 0.14 -0.61 120.40 128.92 1ibz s VAL 51 Ca -0.06 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1ibz s VAL 51 Cb -0.19 -4.65 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 1ibz s VAL 51 CO -0.06 -1.35 0.37 -0.69 0.00 0.00 0.00 175.10 173.37 1ibz s VAL 52 N 4.29 5.16 -0.27 2.92 1.01 0.18 -1.53 120.40 132.16 1ibz s VAL 52 Ca 0.29 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 1ibz s VAL 52 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ibz s VAL 52 CO 0.16 -0.10 0.14 -0.70 0.00 0.00 0.00 175.10 174.60 1ibz s GLU 53 N 2.04 3.84 -0.56 2.72 2.12 0.03 -1.16 118.70 127.72 1ibz s GLU 53 Ca 0.12 -0.38 -0.19 0.00 0.36 0.00 0.00 54.97 54.88 1ibz s GLU 53 Cb -0.16 -3.52 0.08 0.00 0.26 0.00 0.00 34.13 30.79 1ibz s GLU 53 CO 0.12 -0.17 0.69 1.21 -0.54 0.00 0.00 175.26 176.57 1ibz s ASN 54 N 1.66 6.20 0.00 -1.70 3.04 -0.62 -0.58 114.94 122.95 1ibz s ASN 54 Ca 0.07 -1.18 0.22 0.00 0.04 0.00 0.00 52.86 52.01 1ibz s ASN 54 Cb -0.16 -2.30 0.53 0.00 -1.54 0.00 0.00 41.25 37.78 1ibz s ASN 54 CO 0.08 -1.04 1.45 0.29 -3.04 0.00 0.00 177.10 174.84 1ibz n LYS 55 N 6.35 2.22 -2.41 0.43 5.02 0.69 0.30 118.16 130.77 1ibz n LYS 55 Ca -0.08 -1.85 -0.34 0.00 -2.02 0.00 0.00 58.31 54.02 1ibz n LYS 55 Cb 0.44 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 1ibz n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ibz s SER 56 N -1.49 6.10 0.14 4.39 0.15 -1.07 -4.60 113.70 117.31 1ibz s SER 56 Ca 0.36 2.00 0.18 0.00 0.70 0.00 0.00 55.95 59.18 1ibz s SER 56 Cb 0.21 -2.56 0.77 0.00 -1.71 0.00 0.00 66.02 62.72 1ibz s SER 56 CO 0.29 -0.95 1.55 -0.81 1.20 0.00 0.00 173.24 174.51 1ibz n PRO 57 N -1.16 0.10 -4.41 5.44 -0.04 -1.26 -4.10 135.00 129.57 1ibz n PRO 57 Ca 0.10 0.38 -0.20 0.00 -0.04 0.00 0.00 63.50 63.74 1ibz n PRO 57 Cb 0.52 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.19 1.16 0.31 0.52 -4.36 -1.26 -4.81 121.20 109.57 1ibz s ILE 58 Ca 0.04 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 1ibz s ILE 58 Cb 0.08 -2.64 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 1ibz s ILE 58 CO 0.29 -0.11 1.53 -1.20 0.24 0.00 0.00 174.94 175.69 1ibz n SER 59 N -0.59 3.65 -4.33 4.36 7.64 -1.26 -4.17 113.62 118.92 1ibz n SER 59 Ca -0.03 1.17 -0.25 0.00 1.01 0.00 0.00 58.87 60.77 1ibz n SER 59 Cb 0.66 -1.57 -0.12 0.00 -1.01 0.00 0.00 64.21 62.16 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 -0.98 1.24 0.17 1.43 0.41 -0.46 -4.95 118.70 115.56 1ibz s GLU 60 Ca 0.61 -1.26 0.05 0.00 -0.41 0.00 0.00 54.97 53.97 1ibz s GLU 60 Cb -0.51 -1.56 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 1ibz s GLU 60 CO 0.53 0.36 0.12 0.20 -0.49 0.00 0.00 175.26 175.98 1ibz s GLY 61 N -2.06 1.71 -0.16 -1.39 0.00 -1.26 -0.21 107.32 103.95 1ibz s GLY 61 Ca 0.10 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 1ibz s GLY 61 CO 0.05 -1.26 0.11 -0.12 0.00 0.00 0.00 173.10 171.89 1ibz s PHE 62 N -1.76 0.10 0.01 1.90 5.36 -0.78 -4.15 117.98 118.66 1ibz s PHE 62 Ca 0.30 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1ibz s PHE 62 Cb -0.10 -0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 1ibz s PHE 62 CO 0.23 -0.49 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.28 1ibz s SER 63 N 2.17 1.07 -0.34 6.13 0.01 0.13 -1.13 113.70 121.73 1ibz s SER 63 Ca 0.03 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1ibz s SER 63 Cb -0.16 -0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.14 1ibz s SER 63 CO -0.09 0.02 0.26 -0.63 0.41 0.00 0.00 173.24 173.21 1ibz s ILE 64 N -0.57 -0.09 0.27 1.44 1.01 0.05 -1.33 121.20 121.98 1ibz s ILE 64 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 1ibz s ILE 64 Cb -0.05 -0.95 0.26 0.00 0.01 0.00 0.00 42.46 41.73 1ibz s ILE 64 CO 0.00 -0.78 1.70 0.44 0.00 0.00 0.00 174.94 176.30 1ibz h ASP 65 N 7.33 0.20 -0.90 3.58 3.32 -1.79 -2.31 116.42 125.86 1ibz h ASP 65 Ca 0.00 0.14 0.21 0.00 0.02 0.00 0.00 57.03 57.41 1ibz h ASP 65 Cb 1.01 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 1ibz h ASP 65 CO 0.27 0.01 0.60 0.00 -1.72 0.00 0.00 179.24 178.40 1ibz h ALA 66 N 1.65 2.28 -0.26 3.45 0.00 -1.94 -1.93 119.26 122.50 1ibz h ALA 66 Ca 0.48 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1ibz h ALA 66 Cb 0.85 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1ibz h ALA 66 CO -0.50 -0.56 -0.16 1.19 0.00 0.00 0.00 179.25 179.22 1ibz n PHE 67 N -4.49 0.82 -2.05 0.00 3.01 -0.91 -4.96 117.46 108.88 1ibz n PHE 67 Ca 0.19 -1.53 -0.15 0.00 1.01 0.00 0.00 57.45 56.98 1ibz n PHE 67 Cb 0.73 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 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 -1.10 0.24 3.66 1.37 0.00 -0.73 -4.94 105.19 103.69 1ibz n GLY 68 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.57 5.01 -0.37 1.61 1.01 -0.93 -4.99 120.40 119.17 1ibz s VAL 69 Ca 0.00 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.27 1ibz s VAL 69 Cb 0.00 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.59 1ibz s VAL 69 CO 0.00 0.10 0.56 -1.58 0.00 0.00 0.00 175.10 174.18 1ibz s GLN 70 N 1.92 0.71 0.36 2.72 0.74 -1.25 -0.77 119.66 124.08 1ibz s GLN 70 Ca 0.30 -0.19 0.08 0.00 0.05 0.00 0.00 55.36 55.59 1ibz s GLN 70 Cb -0.16 -0.06 -0.05 0.00 1.10 0.00 0.00 33.01 33.84 1ibz s GLN 70 CO 0.11 -1.15 0.12 -1.21 -0.55 0.00 0.00 175.29 172.60 1ibz s GLU 71 N 2.01 2.25 -0.20 1.67 0.41 -0.29 -4.98 118.70 119.57 1ibz s GLU 71 Ca 0.15 -1.68 -0.03 0.00 -0.41 0.00 0.00 54.97 52.99 1ibz s GLU 71 Cb -0.08 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.28 1ibz s GLU 71 CO -0.12 0.05 0.04 0.08 -0.49 0.00 0.00 175.26 174.82 1ibz s VAL 72 N -2.50 0.54 -0.24 2.63 1.01 -1.26 -1.86 120.40 118.72 1ibz s VAL 72 Ca 0.38 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1ibz s VAL 72 Cb -0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1ibz s VAL 72 CO 0.22 -0.25 0.31 -0.63 0.00 0.00 0.00 175.10 174.75 1ibz s ILE 73 N 1.85 5.25 0.69 2.22 1.09 0.70 -4.93 121.20 128.07 1ibz s ILE 73 Ca -0.00 0.47 -0.15 0.00 -1.10 0.00 0.00 60.65 59.87 1ibz s ILE 73 Cb -0.17 -3.64 0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1ibz s ILE 73 CO -0.09 0.25 1.15 -0.54 -0.10 0.00 0.00 174.94 175.60 1ibz s LYS 74 N 1.51 2.49 -0.04 2.79 1.02 -1.26 -1.35 119.74 124.89 1ibz s LYS 74 Ca 0.14 1.54 -0.35 0.00 0.02 0.00 0.00 55.97 57.32 1ibz s LYS 74 Cb -0.15 -1.90 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 1ibz s LYS 74 CO 0.08 -1.52 1.77 0.00 -0.92 0.00 0.00 175.35 174.76 1ibz n ALA 75 N -2.58 0.79 -0.56 5.17 0.00 -1.26 -0.78 120.51 121.29 1ibz n ALA 75 Ca 0.12 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1ibz n ALA 75 Cb 0.51 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 4.06 1.69 3.91 0.00 0.00 0.15 -5.02 105.19 109.98 1ibz n GLY 76 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1ibz n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ibz s GLU 77 N -0.07 3.57 -0.13 1.61 2.12 0.04 -4.82 118.70 121.03 1ibz s GLU 77 Ca 0.00 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1ibz s GLU 77 Cb 0.00 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.90 1ibz s GLU 77 CO 0.00 -0.01 -0.13 0.99 -0.54 0.00 0.00 175.26 175.57 1ibz s THR 78 N -2.46 1.40 -0.04 -1.70 2.01 -1.26 -1.58 115.64 112.00 1ibz s THR 78 Ca 0.45 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.96 1ibz s THR 78 Cb -0.10 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1ibz s THR 78 CO 0.38 0.43 -0.21 -0.75 -0.69 0.00 0.00 174.62 173.78 1ibz s LYS 79 N 1.37 2.07 -0.20 4.92 2.20 -0.31 -4.96 119.74 124.82 1ibz s LYS 79 Ca 0.01 -0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 1ibz s LYS 79 Cb -0.13 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.34 1ibz s LYS 79 CO -0.07 0.34 0.42 0.99 -0.36 0.00 0.00 175.35 176.67 1ibz s THR 80 N -0.15 5.19 -0.18 3.43 2.01 -1.26 -0.65 115.64 124.03 1ibz s THR 80 Ca -0.01 0.75 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 1ibz s THR 80 Cb -0.12 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1ibz s THR 80 CO 0.02 0.24 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.50 1ibz s ILE 81 N 1.35 3.45 0.05 1.82 1.01 0.21 -4.93 121.20 124.16 1ibz s ILE 81 Ca 0.20 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.41 1ibz s ILE 81 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1ibz s ILE 81 CO 0.08 0.47 -0.15 -0.94 0.00 0.00 0.00 174.94 174.40 1ibz s SER 82 N 0.85 1.83 0.07 3.58 1.04 -1.26 0.72 113.70 120.54 1ibz s SER 82 Ca -0.02 -0.51 -0.27 0.00 0.48 0.00 0.00 55.95 55.63 1ibz s SER 82 Cb -0.15 -0.11 0.08 0.00 0.10 0.00 0.00 66.02 65.95 1ibz s SER 82 CO 0.01 0.03 0.96 0.72 0.98 0.00 0.00 173.24 175.94 1ibz s PHE 83 N -0.95 -0.21 -0.20 5.02 -0.71 -0.44 -5.01 117.98 115.48 1ibz s PHE 83 Ca 0.02 -0.01 -0.07 0.00 -1.04 0.00 0.00 56.93 55.83 1ibz s PHE 83 Cb -0.09 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1ibz s PHE 83 CO 0.02 -0.67 0.06 0.99 -1.34 0.00 0.00 175.22 174.28 1ibz s THR 84 N -3.15 4.55 -1.30 -4.49 2.01 -1.26 0.11 115.64 112.11 1ibz s THR 84 Ca 0.09 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 1ibz s THR 84 Cb -0.01 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1ibz s THR 84 CO -0.03 0.42 1.96 0.00 -0.69 0.00 0.00 174.62 176.28 1ibz n ALA 85 N 4.02 4.10 1.94 7.40 0.00 -0.54 -4.70 120.51 132.74 1ibz n ALA 85 Ca -0.16 -3.73 0.16 0.00 0.00 0.00 0.00 53.44 49.70 1ibz n ALA 85 Cb 0.52 -3.57 0.90 0.00 0.00 0.00 0.00 19.45 17.30 1ibz n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ibz n ASP 86 N 8.05 0.15 -3.93 0.00 5.68 -1.26 0.90 116.55 126.14 1ibz n ASP 86 Ca 0.50 -1.03 -0.22 0.00 -0.50 0.00 0.00 54.79 53.54 1ibz n ASP 86 Cb 0.43 -0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.24 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 -2.01 1.11 0.36 0.11 1.02 -1.26 -4.82 119.74 114.25 1ibz s LYS 87 Ca 0.47 -0.20 -0.25 0.00 0.02 0.00 0.00 55.97 56.01 1ibz s LYS 87 Cb 0.22 -1.04 -0.10 0.00 -0.52 0.00 0.00 37.83 36.39 1ibz s LYS 87 CO 0.37 -0.06 0.99 0.00 -0.92 0.00 0.00 175.35 175.73 1ibz s ALA 88 N 0.90 3.15 0.00 5.17 0.00 -1.26 -4.72 121.76 125.00 1ibz s ALA 88 Ca -0.11 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1ibz s ALA 88 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ibz s ALA 88 CO 0.01 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1ibz n GLY 89 N 0.36 0.62 3.06 0.00 0.00 0.20 -4.95 105.19 104.48 1ibz n GLY 89 Ca 0.04 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 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 1.62 -0.06 4.61 0.00 -1.26 -0.35 121.76 125.33 1ibz s ALA 90 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1ibz s ALA 90 Cb 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1ibz s ALA 90 CO 0.00 0.02 -0.10 -0.06 0.00 0.00 0.00 175.76 175.62 1ibz s PHE 91 N 0.83 1.22 0.27 0.00 0.40 0.00 -4.97 117.98 115.74 1ibz s PHE 91 Ca -0.10 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.51 1ibz s PHE 91 Cb -0.15 -0.93 -0.11 0.00 0.51 0.00 0.00 43.02 42.34 1ibz s PHE 91 CO 0.01 -0.24 1.51 0.99 0.70 0.00 0.00 175.22 178.19 1ibz s THR 92 N 0.69 2.38 -0.30 0.64 2.01 -1.26 -0.51 115.64 119.29 1ibz s THR 92 Ca -0.13 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 1ibz s THR 92 Cb -0.15 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1ibz s THR 92 CO 0.03 0.05 0.10 -0.63 -0.69 0.00 0.00 174.62 173.48 1ibz s ILE 93 N -0.04 4.13 0.18 1.82 1.01 -0.20 -4.37 121.20 123.74 1ibz s ILE 93 Ca 0.61 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1ibz s ILE 93 Cb -0.45 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ibz s ILE 93 CO 0.46 0.09 0.07 -1.66 0.00 0.00 0.00 174.94 173.90 1ibz s TRP 94 N 1.53 1.15 -0.24 3.97 1.48 -0.44 -0.25 118.94 126.13 1ibz s TRP 94 Ca 0.03 -1.21 -0.10 0.00 -1.06 0.00 0.00 56.10 53.76 1ibz s TRP 94 Cb -0.17 -0.63 -0.05 0.00 -1.16 0.00 0.00 33.47 31.47 1ibz s TRP 94 CO 0.03 -0.45 0.14 0.00 -4.06 0.00 0.00 176.95 172.62 1ibz n GLN 96 N 4.44 1.50 -0.08 0.00 0.00 -1.26 -3.96 117.38 118.01 1ibz n GLN 96 Ca -0.15 -0.75 -0.08 0.00 0.00 0.00 0.00 57.00 56.01 1ibz n GLN 96 Cb 0.52 -1.30 -0.13 0.00 0.00 0.00 0.00 30.24 29.33 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 0.01 0.05 -4.45 2.61 4.77 -1.26 -5.05 117.00 113.69 1ibz n LEU 97 Ca 0.13 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1ibz n LEU 97 Cb 0.22 0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 1ibz n LEU 97 CO 0.10 0.42 -0.38 -1.00 -1.33 0.00 0.00 177.39 175.20 1ibz s HIS 98 N -2.41 2.06 0.25 -1.77 3.76 -1.25 -5.10 115.29 110.83 1ibz s HIS 98 Ca -0.09 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 53.90 1ibz s HIS 98 Cb 0.05 -1.14 -0.12 0.00 1.11 0.00 0.00 32.58 32.48 1ibz s HIS 98 CO 0.68 0.39 1.59 -2.30 -0.85 0.00 0.00 174.74 174.25 1ibz n PRO 99 N -0.62 2.56 0.34 8.40 -0.02 -1.26 -4.79 135.00 139.61 1ibz n PRO 99 Ca -0.06 0.92 0.22 0.00 -2.02 0.00 0.00 63.50 62.56 1ibz n PRO 99 Cb 0.63 -2.69 1.18 0.00 -0.02 0.00 0.00 33.50 32.59 1ibz n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ibz h LYS 100 N 5.23 0.00 -0.40 -0.52 1.57 -1.88 0.13 116.57 120.69 1ibz h LYS 100 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1ibz h LYS 100 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1ibz h LYS 100 CO 0.83 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.98 1ibz n ASN 101 N -3.11 2.78 -0.05 0.86 6.94 -1.26 -3.39 115.26 118.02 1ibz n ASN 101 Ca -0.03 -1.93 -0.06 0.00 -0.02 0.00 0.00 54.58 52.54 1ibz n ASN 101 Cb 0.10 -0.26 -0.02 0.00 -2.36 0.00 0.00 39.78 37.23 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 1.03 1.37 -3.28 1.53 2.08 -0.06 -4.72 119.36 117.31 1ibz n ILE 102 Ca 0.18 0.22 -0.47 0.00 0.56 0.00 0.00 62.75 63.25 1ibz n ILE 102 Cb 0.47 -2.11 -0.02 0.00 -0.75 0.00 0.00 39.64 37.23 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 -2.59 3.64 0.35 1.39 2.46 -0.64 -1.51 115.29 118.39 1ibz s HIS 103 Ca -0.20 -1.85 -0.28 0.00 0.47 0.00 0.00 55.06 53.20 1ibz s HIS 103 Cb 0.03 -3.87 -0.12 0.00 -0.13 0.00 0.00 32.58 28.49 1ibz s HIS 103 CO 0.30 -1.05 1.37 1.28 -2.47 0.00 0.00 174.74 174.16 1ibz n LEU 104 N 4.41 3.98 -4.83 8.88 4.77 -1.07 -4.50 117.00 128.64 1ibz n LEU 104 Ca 0.12 1.21 -0.31 0.00 -0.03 0.00 0.00 56.01 57.01 1ibz n LEU 104 Cb 0.47 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 40.08 1ibz n LEU 104 CO 0.37 -0.25 0.72 -2.84 -1.33 0.00 0.00 177.39 174.06 1ibz s PRO 105 N -1.91 2.74 0.00 3.23 0.02 -1.26 -4.59 135.00 133.24 1ibz s PRO 105 Ca 0.55 0.74 0.00 0.00 0.02 0.00 0.00 61.00 62.31 1ibz s PRO 105 Cb -0.54 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.00 1ibz s PRO 105 CO 0.62 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1ibz n GLY 106 N -2.30 5.48 3.02 0.52 0.00 0.65 -4.95 105.19 107.62 1ibz n GLY 106 Ca 0.07 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.54 0.04 -0.27 2.61 2.01 -0.85 -1.03 115.64 117.61 1ibz s THR 107 Ca 0.00 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1ibz s THR 107 Cb 0.00 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1ibz s THR 107 CO 0.00 -0.17 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.52 1ibz s LEU 108 N -0.53 3.46 -0.22 4.42 2.96 0.33 -1.32 118.68 127.78 1ibz s LEU 108 Ca -0.06 -0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 52.86 1ibz s LEU 108 Cb -0.04 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1ibz s LEU 108 CO 0.00 -0.17 0.06 0.20 -1.32 0.00 0.00 176.35 175.13 1ibz s ASN 109 N 1.35 5.28 -0.34 3.68 0.01 0.06 -0.82 114.94 124.16 1ibz s ASN 109 Ca -0.00 -0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1ibz s ASN 109 Cb -0.17 -1.93 0.07 0.00 0.41 0.00 0.00 41.25 39.63 1ibz s ASN 109 CO -0.02 0.05 0.07 -0.69 -1.51 0.00 0.00 177.10 175.00 1ibz s VAL 110 N 1.08 3.12 0.27 1.60 1.01 0.53 -0.56 120.40 127.45 1ibz s VAL 110 Ca 0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.36 1ibz s VAL 110 Cb -0.14 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1ibz s VAL 110 CO 0.03 -0.31 0.55 0.54 0.00 0.00 0.00 175.10 175.91 1ibz s VAL 111 N 1.22 5.00 -2.00 2.92 0.11 0.28 -0.63 120.40 127.30 1ibz s VAL 111 Ca -0.00 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1ibz s VAL 111 Cb -0.21 -3.69 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1ibz s VAL 111 CO -0.02 -0.23 0.57 -0.62 -3.33 0.00 0.00 175.10 171.47