#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibz s PHE 4 N 0.00 2.86 -0.19 1.20 0.08 0.14 -4.99 117.98 117.09 1ibz s PHE 4 Ca 0.00 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 56.91 1ibz s PHE 4 Cb 0.00 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1ibz s PHE 4 CO 0.00 0.54 -0.10 -0.80 -0.10 0.00 0.00 175.22 174.76 1ibz s ASN 5 N -3.26 3.20 -0.11 1.36 -0.87 -1.26 -0.22 114.94 113.78 1ibz s ASN 5 Ca 0.29 -0.79 0.03 0.00 -1.57 0.00 0.00 52.86 50.83 1ibz s ASN 5 Cb -0.08 -1.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.97 1ibz s ASN 5 CO 0.20 -0.13 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.68 1ibz s VAL 6 N 1.44 1.97 -0.17 1.60 1.01 -0.61 -4.11 120.40 121.53 1ibz s VAL 6 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1ibz s VAL 6 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1ibz s VAL 6 CO -0.09 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 1ibz s VAL 7 N 0.55 3.56 -0.36 2.92 1.01 0.46 -0.86 120.40 127.68 1ibz s VAL 7 Ca -0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1ibz s VAL 7 Cb -0.17 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1ibz s VAL 7 CO 0.04 0.47 0.42 -0.63 0.00 0.00 0.00 175.10 175.40 1ibz s ILE 8 N 0.75 5.11 0.00 2.22 1.01 0.02 -0.85 121.20 129.45 1ibz s ILE 8 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1ibz s ILE 8 Cb -0.15 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1ibz s ILE 8 CO 0.02 -0.20 -0.23 0.20 0.00 0.00 0.00 174.94 174.74 1ibz s ASN 9 N 1.76 3.38 -0.07 3.58 -0.87 -0.28 -0.84 114.94 121.60 1ibz s ASN 9 Ca 0.13 -0.44 -0.03 0.00 -1.57 0.00 0.00 52.86 50.96 1ibz s ASN 9 Cb -0.16 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.25 40.57 1ibz s ASN 9 CO 0.12 0.30 0.06 0.00 -2.57 0.00 0.00 177.10 175.01 1ibz s ALA 10 N -0.73 3.53 -0.10 0.60 0.00 -1.26 0.12 121.76 123.91 1ibz s ALA 10 Ca 0.11 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ibz s ALA 10 Cb -0.10 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1ibz s ALA 10 CO 0.01 0.63 -0.10 0.71 0.00 0.00 0.00 175.76 177.01 1ibz s TYR 11 N -1.02 1.51 -0.58 0.00 1.51 0.17 -4.98 117.35 113.96 1ibz s TYR 11 Ca 0.17 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.50 1ibz s TYR 11 Cb -0.12 -1.19 0.15 0.00 -0.11 0.00 0.00 41.96 40.69 1ibz s TYR 11 CO 0.06 -0.43 0.40 0.34 -1.11 0.00 0.00 175.55 174.81 1ibz s ASP 12 N 1.29 5.30 -0.21 2.29 -1.08 -1.26 -1.80 116.67 121.21 1ibz s ASP 12 Ca -0.03 -2.65 -0.06 0.00 -0.52 0.00 0.00 52.55 49.30 1ibz s ASP 12 Cb -0.14 -1.86 -0.03 0.00 -1.46 0.00 0.00 42.92 39.43 1ibz s ASP 12 CO -0.04 -0.42 0.02 -0.89 0.52 0.00 0.00 175.17 174.36 1ibz s THR 13 N 0.24 4.16 -0.08 1.71 2.01 -0.35 -5.03 115.64 118.31 1ibz s THR 13 Ca 0.15 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1ibz s THR 13 Cb -0.21 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.45 1ibz s THR 13 CO -0.04 0.42 0.06 -0.89 -0.69 0.00 0.00 174.62 173.48 1ibz s THR 14 N 1.00 -0.04 -0.34 -0.82 2.01 -1.26 -0.76 115.64 115.43 1ibz s THR 14 Ca 0.02 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1ibz s THR 14 Cb -0.14 -0.32 0.13 0.00 0.01 0.00 0.00 72.50 72.17 1ibz s THR 14 CO 0.02 0.06 0.19 -0.63 -0.69 0.00 0.00 174.62 173.57 1ibz s ILE 15 N 2.13 0.23 0.25 1.82 1.01 0.16 -4.99 121.20 121.81 1ibz s ILE 15 Ca 0.04 -1.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.13 1ibz s ILE 15 Cb -0.13 -1.18 0.26 0.00 0.01 0.00 0.00 42.46 41.41 1ibz s ILE 15 CO -0.05 -0.90 1.91 -0.65 0.00 0.00 0.00 174.94 175.25 1ibz h PRO 16 N 7.41 1.24 -2.03 2.79 0.11 -1.91 -0.23 132.00 139.37 1ibz h PRO 16 Ca -0.02 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 1ibz h PRO 16 Cb 0.98 -0.28 -0.20 0.00 0.11 0.00 0.00 31.00 31.61 1ibz h PRO 16 CO 0.34 0.82 0.14 -2.00 -0.21 0.00 0.00 178.00 177.08 1ibz s GLU 17 N -6.09 0.91 -0.28 1.05 2.12 -1.26 0.51 118.70 115.66 1ibz s GLU 17 Ca -0.13 0.70 -0.24 0.00 0.36 0.00 0.00 54.97 55.66 1ibz s GLU 17 Cb 0.18 0.44 0.09 0.00 0.26 0.00 0.00 34.13 35.10 1ibz s GLU 17 CO 0.81 -0.18 0.84 -1.17 -0.54 0.00 0.00 175.26 175.02 1ibz s LEU 18 N -0.23 -0.64 -0.12 2.70 0.20 -0.71 -5.01 118.68 114.88 1ibz s LEU 18 Ca -0.04 1.22 0.02 0.00 0.69 0.00 0.00 54.13 56.02 1ibz s LEU 18 Cb -0.03 2.23 0.01 0.00 -0.43 0.00 0.00 46.19 47.97 1ibz s LEU 18 CO 0.04 -0.21 -0.19 0.21 -0.29 0.00 0.00 176.35 175.91 1ibz s ASN 19 N 0.39 2.83 -0.05 3.68 3.84 -1.26 -1.07 114.94 123.30 1ibz s ASN 19 Ca 0.01 -0.53 0.01 0.00 0.21 0.00 0.00 52.86 52.56 1ibz s ASN 19 Cb -0.05 -1.29 0.02 0.00 -0.55 0.00 0.00 41.25 39.38 1ibz s ASN 19 CO -0.03 0.06 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.61 1ibz s VAL 20 N 0.84 0.51 -1.21 -5.21 1.01 -0.26 -4.80 120.40 111.28 1ibz s VAL 20 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1ibz s VAL 20 Cb -0.15 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1ibz s VAL 20 CO -0.01 0.23 0.18 -0.62 0.00 0.00 0.00 175.10 174.88 1ibz n GLU 21 N 4.15 -2.76 -0.84 2.72 1.02 -1.26 -0.29 120.64 123.38 1ibz n GLU 21 Ca -0.23 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1ibz n GLU 21 Cb 0.51 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 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 -0.98 0.89 3.53 0.62 0.00 -1.26 -5.02 105.19 102.97 1ibz n GLY 22 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.53 4.66 -0.17 1.61 1.01 0.61 -5.08 120.40 119.49 1ibz s VAL 23 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1ibz s VAL 23 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1ibz s VAL 23 CO 0.00 0.35 0.08 -0.89 0.00 0.00 0.00 175.10 174.65 1ibz s THR 24 N 1.30 4.99 -0.04 3.92 2.01 -1.26 -1.11 115.64 125.46 1ibz s THR 24 Ca 0.05 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1ibz s THR 24 Cb -0.15 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 1ibz s THR 24 CO 0.04 0.48 -0.23 0.68 -0.69 0.00 0.00 174.62 174.90 1ibz s VAL 25 N 0.14 1.88 0.15 3.82 -7.23 -0.23 -4.99 120.40 113.94 1ibz s VAL 25 Ca 0.06 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1ibz s VAL 25 Cb -0.12 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1ibz s VAL 25 CO 0.00 0.53 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.67 1ibz s LYS 26 N -0.33 1.08 -1.23 4.82 1.02 -1.26 -1.73 119.74 122.10 1ibz s LYS 26 Ca 0.03 -1.43 -0.20 0.00 0.02 0.00 0.00 55.97 54.39 1ibz s LYS 26 Cb -0.11 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1ibz s LYS 26 CO 0.01 0.10 0.66 0.09 -0.92 0.00 0.00 175.35 175.29 1ibz n ASN 27 N -0.10 -3.79 -4.61 2.83 5.03 0.18 -4.93 115.26 109.88 1ibz n ASN 27 Ca -0.11 -1.11 -0.38 0.00 0.87 0.00 0.00 54.58 53.85 1ibz n ASN 27 Cb 0.60 -2.74 -0.10 0.00 -1.02 0.00 0.00 39.78 36.52 1ibz n ASN 27 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ibz s ILE 28 N -3.62 5.23 -0.17 2.41 1.01 -0.11 -4.96 121.20 120.99 1ibz s ILE 28 Ca 0.38 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 1ibz s ILE 28 Cb -0.16 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.73 1ibz s ILE 28 CO 0.91 0.21 0.08 -0.60 0.00 0.00 0.00 174.94 175.54 1ibz s ARG 29 N 1.83 0.13 -0.13 2.79 3.00 -1.26 0.39 118.95 125.70 1ibz s ARG 29 Ca 0.12 -0.11 -0.06 0.00 -1.00 0.00 0.00 55.73 54.68 1ibz s ARG 29 Cb -0.16 -1.82 0.06 0.00 0.00 0.00 0.00 34.95 33.03 1ibz s ARG 29 CO 0.10 -0.65 0.30 0.00 0.00 0.00 0.00 175.30 175.04 1ibz s ALA 30 N 2.11 -0.72 -0.12 6.12 0.00 0.06 -5.03 121.76 124.18 1ibz s ALA 30 Ca 0.02 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.15 1ibz s ALA 30 Cb -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1ibz s ALA 30 CO -0.09 -0.36 -0.22 0.12 0.00 0.00 0.00 175.76 175.22 1ibz s PHE 31 N 1.66 2.64 0.04 0.00 5.36 -1.26 -1.21 117.98 125.21 1ibz s PHE 31 Ca -0.06 -1.12 -0.17 0.00 -0.96 0.00 0.00 56.93 54.61 1ibz s PHE 31 Cb -0.10 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.84 1ibz s PHE 31 CO -0.10 -0.48 0.39 -0.80 -1.46 0.00 0.00 175.22 172.78 1ibz s ASN 32 N 0.55 -0.26 -0.06 6.13 0.01 -0.74 -4.79 114.94 115.77 1ibz s ASN 32 Ca -0.13 -0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.06 1ibz s ASN 32 Cb -0.17 0.41 -0.01 0.00 0.41 0.00 0.00 41.25 41.89 1ibz s ASN 32 CO 0.04 -0.64 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.07 1ibz s VAL 33 N -2.40 2.23 0.05 1.60 1.01 -0.54 0.42 120.40 122.78 1ibz s VAL 33 Ca -0.06 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1ibz s VAL 33 Cb -0.01 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1ibz s VAL 33 CO -0.02 0.57 -0.13 -0.76 0.00 0.00 0.00 175.10 174.76 1ibz s LEU 34 N -0.15 2.21 -0.12 3.92 1.43 0.12 -2.36 118.68 123.72 1ibz s LEU 34 Ca -0.03 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 1ibz s LEU 34 Cb -0.14 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1ibz s LEU 34 CO 0.04 -0.02 0.44 0.20 0.23 0.00 0.00 176.35 177.23 1ibz s ASN 35 N -1.33 6.65 -0.21 2.29 -0.87 -1.26 -1.12 114.94 119.08 1ibz s ASN 35 Ca -0.01 0.77 -0.02 0.00 -1.57 0.00 0.00 52.86 52.04 1ibz s ASN 35 Cb -0.09 -2.27 0.06 0.00 -0.02 0.00 0.00 41.25 38.94 1ibz s ASN 35 CO 0.01 0.04 0.01 -1.61 -2.57 0.00 0.00 177.10 172.99 1ibz s GLU 36 N 0.48 0.92 0.73 -0.60 2.02 -0.03 -2.65 118.70 119.58 1ibz s GLU 36 Ca 0.24 -0.61 -0.11 0.00 0.02 0.00 0.00 54.97 54.52 1ibz s GLU 36 Cb -0.15 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 31.87 1ibz s GLU 36 CO 0.09 -0.64 1.07 -1.25 0.02 0.00 0.00 175.26 174.55 1ibz s PRO 37 N 1.72 2.62 0.01 0.39 0.04 -1.26 -0.40 135.00 138.12 1ibz s PRO 37 Ca -0.02 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1ibz s PRO 37 Cb -0.18 -1.96 -0.27 0.00 0.04 0.00 0.00 34.50 32.13 1ibz s PRO 37 CO -0.08 -1.30 0.88 1.49 0.04 0.00 0.00 177.00 178.03 1ibz h GLU 38 N -0.86 0.24 -5.93 4.56 4.81 -1.91 -3.46 114.58 112.02 1ibz h GLU 38 Ca -0.45 -0.40 -0.67 0.00 -0.13 0.00 0.00 59.36 57.70 1ibz h GLU 38 Cb 1.23 0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.57 1ibz h GLU 38 CO 0.57 1.10 -0.68 0.99 -0.73 0.00 0.00 179.01 180.26 1ibz s THR 39 N -2.62 3.79 -0.08 0.32 2.01 -1.26 -2.03 115.64 115.77 1ibz s THR 39 Ca -0.08 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1ibz s THR 39 Cb 0.07 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1ibz s THR 39 CO 0.85 0.58 -0.16 -0.76 -0.69 0.00 0.00 174.62 174.44 1ibz s LEU 40 N -0.55 1.77 -0.11 4.42 1.43 0.51 -4.97 118.68 121.18 1ibz s LEU 40 Ca 0.08 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1ibz s LEU 40 Cb -0.12 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.09 1ibz s LEU 40 CO 0.02 0.06 -0.19 -0.69 0.23 0.00 0.00 176.35 175.79 1ibz s VAL 41 N 0.65 1.71 0.17 -1.59 1.01 -1.26 0.53 120.40 121.62 1ibz s VAL 41 Ca -0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1ibz s VAL 41 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1ibz s VAL 41 CO 0.04 0.48 0.09 0.68 0.00 0.00 0.00 175.10 176.40 1ibz s VAL 42 N 0.73 0.06 0.00 2.92 -7.23 0.47 -4.97 120.40 112.39 1ibz s VAL 42 Ca -0.11 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 1ibz s VAL 42 Cb -0.16 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1ibz s VAL 42 CO 0.02 -0.23 0.23 -0.54 -0.31 0.00 0.00 175.10 174.27 1ibz s LYS 43 N -4.10 3.51 0.21 4.82 1.02 -1.26 0.19 119.74 124.12 1ibz s LYS 43 Ca 0.32 -0.20 -0.32 0.00 0.02 0.00 0.00 55.97 55.78 1ibz s LYS 43 Cb 0.07 -3.08 -0.14 0.00 -0.52 0.00 0.00 37.83 34.16 1ibz s LYS 43 CO 0.07 0.65 1.29 1.17 -0.92 0.00 0.00 175.35 177.62 1ibz n LYS 44 N 0.98 1.62 0.00 1.68 4.81 0.97 -2.57 118.16 125.65 1ibz n LYS 44 Ca -0.11 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1ibz n LYS 44 Cb 0.53 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.42 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 2.12 3.28 3.85 3.14 0.00 0.26 -5.00 105.19 112.84 1ibz n GLY 45 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ibz n GLY 45 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ibz s ASP 46 N -0.70 6.78 0.18 1.61 3.84 -1.06 -4.73 116.67 122.59 1ibz s ASP 46 Ca 0.00 1.35 -0.30 0.00 -0.00 0.00 0.00 52.55 53.60 1ibz s ASP 46 Cb 0.00 -2.40 -0.07 0.00 -1.38 0.00 0.00 42.92 39.06 1ibz s ASP 46 CO 0.00 -0.26 1.03 0.00 -0.00 0.00 0.00 175.17 175.94 1ibz s ALA 47 N -2.06 3.33 -0.11 2.11 0.00 -1.26 -2.60 121.76 121.17 1ibz s ALA 47 Ca 0.56 0.71 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1ibz s ALA 47 Cb -0.10 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1ibz s ALA 47 CO 0.18 -0.07 -0.17 0.08 0.00 0.00 0.00 175.76 175.78 1ibz s VAL 48 N -0.41 2.75 -0.22 0.00 1.01 0.17 -4.82 120.40 118.88 1ibz s VAL 48 Ca 0.47 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1ibz s VAL 48 Cb -0.27 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1ibz s VAL 48 CO 0.33 0.54 -0.10 -0.54 0.00 0.00 0.00 175.10 175.34 1ibz s LYS 49 N 0.19 2.03 -0.24 2.72 3.01 -1.26 -1.05 119.74 125.13 1ibz s LYS 49 Ca -0.10 -1.01 -0.04 0.00 -1.01 0.00 0.00 55.97 53.82 1ibz s LYS 49 Cb -0.16 -2.59 0.00 0.00 -1.01 0.00 0.00 37.83 34.08 1ibz s LYS 49 CO 0.06 -0.49 -0.02 0.08 0.51 0.00 0.00 175.35 175.48 1ibz s VAL 50 N 1.32 3.37 -0.51 3.17 1.01 0.22 0.26 120.40 129.24 1ibz s VAL 50 Ca -0.04 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1ibz s VAL 50 Cb -0.18 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1ibz s VAL 50 CO -0.07 0.30 0.71 -0.69 0.00 0.00 0.00 175.10 175.35 1ibz s VAL 51 N 1.44 4.74 -0.36 2.92 1.01 0.69 0.32 120.40 131.17 1ibz s VAL 51 Ca 0.04 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1ibz s VAL 51 Cb -0.15 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1ibz s VAL 51 CO -0.02 -0.87 0.25 -0.69 0.00 0.00 0.00 175.10 173.76 1ibz s VAL 52 N 3.01 5.25 -0.30 2.92 1.01 0.05 -1.57 120.40 130.77 1ibz s VAL 52 Ca 0.20 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1ibz s VAL 52 Cb -0.17 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1ibz s VAL 52 CO 0.14 -0.08 0.20 -0.70 0.00 0.00 0.00 175.10 174.66 1ibz s GLU 53 N 1.71 3.72 -0.48 2.72 2.12 -0.04 -1.02 118.70 127.42 1ibz s GLU 53 Ca 0.06 -0.48 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 1ibz s GLU 53 Cb -0.18 -3.68 0.06 0.00 0.26 0.00 0.00 34.13 30.59 1ibz s GLU 53 CO 0.10 -0.29 0.52 1.21 -0.54 0.00 0.00 175.26 176.26 1ibz s ASN 54 N 1.72 6.20 -0.06 -1.70 2.47 0.13 -0.80 114.94 122.90 1ibz s ASN 54 Ca 0.06 -0.99 0.19 0.00 0.42 0.00 0.00 52.86 52.55 1ibz s ASN 54 Cb -0.17 -2.25 0.65 0.00 -1.45 0.00 0.00 41.25 38.04 1ibz s ASN 54 CO 0.10 -0.76 1.55 0.29 -3.72 0.00 0.00 177.10 174.56 1ibz n LYS 55 N 5.78 3.15 -2.83 0.43 5.02 -0.02 -0.67 118.16 129.02 1ibz n LYS 55 Ca -0.08 -2.60 -0.34 0.00 -2.02 0.00 0.00 58.31 53.27 1ibz n LYS 55 Cb 0.45 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.92 7.05 0.31 4.39 0.15 -1.13 -4.62 113.70 118.92 1ibz s SER 56 Ca 0.47 1.71 0.24 0.00 0.70 0.00 0.00 55.95 59.07 1ibz s SER 56 Cb 0.28 -2.54 1.10 0.00 -1.71 0.00 0.00 66.02 63.15 1ibz s SER 56 CO 0.27 -0.26 1.72 1.55 1.20 0.00 0.00 173.24 177.72 1ibz h PRO 57 N 2.33 0.00 -5.45 5.44 0.13 -1.94 -3.34 132.00 129.16 1ibz h PRO 57 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 1ibz h PRO 57 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1ibz h PRO 57 CO 0.62 0.00 -0.63 0.96 -0.23 0.00 0.00 178.00 178.72 1ibz s ILE 58 N -3.44 1.57 0.35 -3.56 -4.36 -1.26 -4.77 121.20 105.73 1ibz s ILE 58 Ca 0.01 -2.05 -0.28 0.00 -0.26 0.00 0.00 60.65 58.07 1ibz s ILE 58 Cb 0.08 -2.72 -0.10 0.00 1.25 0.00 0.00 42.46 40.98 1ibz s ILE 58 CO 0.33 -0.11 1.29 -0.94 0.24 0.00 0.00 174.94 175.75 1ibz s SER 59 N -3.53 6.65 0.26 4.36 1.04 -1.26 -4.06 113.70 117.16 1ibz s SER 59 Ca 0.34 2.65 0.10 0.00 0.48 0.00 0.00 55.95 59.52 1ibz s SER 59 Cb 0.07 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 1ibz s SER 59 CO 0.15 -0.62 -0.17 -1.61 0.98 0.00 0.00 173.24 171.98 1ibz s GLU 60 N -1.93 1.58 0.17 4.02 0.41 -0.26 -4.93 118.70 117.76 1ibz s GLU 60 Ca 0.51 -1.73 0.07 0.00 -0.41 0.00 0.00 54.97 53.41 1ibz s GLU 60 Cb -0.39 -1.54 -0.04 0.00 -1.78 0.00 0.00 34.13 30.38 1ibz s GLU 60 CO 0.51 0.26 -0.03 0.20 -0.49 0.00 0.00 175.26 175.71 1ibz s GLY 61 N -3.46 1.74 -0.16 -1.39 0.00 -1.26 -0.45 107.32 102.34 1ibz s GLY 61 Ca 0.28 -1.37 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 1ibz s GLY 61 CO 0.13 -1.39 0.11 -0.12 0.00 0.00 0.00 173.10 171.83 1ibz s PHE 62 N -1.68 0.08 0.02 1.90 5.36 -0.85 -4.19 117.98 118.63 1ibz s PHE 62 Ca 0.26 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1ibz s PHE 62 Cb -0.09 -0.60 -0.02 0.00 -0.34 0.00 0.00 43.02 41.97 1ibz s PHE 62 CO 0.18 -0.49 -0.08 -1.12 -1.46 0.00 0.00 175.22 172.25 1ibz s SER 63 N 2.18 0.92 -0.33 6.13 0.01 0.17 -1.40 113.70 121.39 1ibz s SER 63 Ca 0.03 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ibz s SER 63 Cb -0.15 -0.03 0.14 0.00 0.21 0.00 0.00 66.02 66.18 1ibz s SER 63 CO -0.09 -0.05 0.27 -0.63 0.41 0.00 0.00 173.24 173.15 1ibz s ILE 64 N -0.77 -0.21 0.17 1.44 1.01 -0.35 -1.03 121.20 121.46 1ibz s ILE 64 Ca -0.03 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 1ibz s ILE 64 Cb -0.06 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.58 1ibz s ILE 64 CO 0.00 -0.66 1.62 0.44 0.00 0.00 0.00 174.94 176.34 1ibz h ASP 65 N 7.65 -0.81 -1.20 3.58 3.45 -1.80 -1.56 116.42 125.74 1ibz h ASP 65 Ca -0.05 0.17 0.34 0.00 0.43 0.00 0.00 57.03 57.92 1ibz h ASP 65 Cb 1.03 0.41 -0.08 0.00 -0.56 0.00 0.00 39.33 40.14 1ibz h ASP 65 CO 0.30 -0.26 0.82 0.00 -1.57 0.00 0.00 179.24 178.52 1ibz h ALA 66 N 1.01 2.79 -0.24 3.45 0.00 -1.94 0.18 119.26 124.51 1ibz h ALA 66 Ca 0.19 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1ibz h ALA 66 Cb 0.47 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1ibz h ALA 66 CO -0.50 -1.20 -0.12 1.19 0.00 0.00 0.00 179.25 178.62 1ibz n PHE 67 N -4.40 0.77 -2.21 0.00 3.01 -0.97 -4.96 117.46 108.69 1ibz n PHE 67 Ca 0.28 -1.37 -0.13 0.00 1.01 0.00 0.00 57.45 57.24 1ibz n PHE 67 Cb 1.18 -0.38 -0.02 0.00 -0.01 0.00 0.00 39.48 40.25 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 -1.04 -0.12 3.76 1.37 0.00 0.63 -4.94 105.19 104.84 1ibz n GLY 68 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.54 4.85 -0.30 1.61 1.01 -0.63 -4.97 120.40 119.43 1ibz s VAL 69 Ca 0.00 1.35 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 1ibz s VAL 69 Cb 0.00 -3.98 0.18 0.00 0.00 0.00 0.00 36.38 32.58 1ibz s VAL 69 CO 0.00 0.41 0.98 -1.58 0.00 0.00 0.00 175.10 174.91 1ibz s GLN 70 N -0.18 0.23 0.19 2.72 0.74 -1.24 -1.21 119.66 120.90 1ibz s GLN 70 Ca 0.33 0.34 0.06 0.00 0.05 0.00 0.00 55.36 56.15 1ibz s GLN 70 Cb -0.19 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.06 1ibz s GLN 70 CO 0.19 -0.31 -0.12 -1.21 -0.55 0.00 0.00 175.29 173.29 1ibz s GLU 71 N 2.94 1.25 -0.19 1.67 0.41 -0.49 -4.99 118.70 119.29 1ibz s GLU 71 Ca 0.09 -1.56 0.01 0.00 -0.41 0.00 0.00 54.97 53.10 1ibz s GLU 71 Cb -0.08 -0.92 0.04 0.00 -1.78 0.00 0.00 34.13 31.39 1ibz s GLU 71 CO -0.16 0.12 -0.10 0.08 -0.49 0.00 0.00 175.26 174.71 1ibz s VAL 72 N -3.12 1.61 -0.27 2.63 1.01 -1.26 -2.00 120.40 118.99 1ibz s VAL 72 Ca 0.21 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1ibz s VAL 72 Cb 0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1ibz s VAL 72 CO 0.05 0.18 0.13 -0.63 0.00 0.00 0.00 175.10 174.84 1ibz s ILE 73 N 1.41 4.75 0.68 2.22 1.01 0.41 -4.94 121.20 126.74 1ibz s ILE 73 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1ibz s ILE 73 Cb -0.16 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1ibz s ILE 73 CO -0.08 0.25 1.21 -0.54 0.00 0.00 0.00 174.94 175.77 1ibz s LYS 74 N 1.67 2.45 0.19 2.79 1.02 -1.26 -1.10 119.74 125.50 1ibz s LYS 74 Ca 0.06 1.77 -0.33 0.00 0.02 0.00 0.00 55.97 57.49 1ibz s LYS 74 Cb -0.16 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.14 1ibz s LYS 74 CO 0.07 -1.60 1.51 0.00 -0.92 0.00 0.00 175.35 174.41 1ibz n ALA 75 N -2.33 1.20 -0.92 5.17 0.00 -1.26 -0.89 120.51 121.49 1ibz n ALA 75 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1ibz n ALA 75 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 2.92 0.94 3.95 0.00 0.00 0.15 -5.00 105.19 108.14 1ibz n GLY 76 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1ibz n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ibz s GLU 77 N -0.11 3.42 -0.08 1.61 0.41 -0.07 -4.84 118.70 119.05 1ibz s GLU 77 Ca 0.00 -0.42 0.02 0.00 -0.41 0.00 0.00 54.97 54.16 1ibz s GLU 77 Cb 0.00 -2.68 0.01 0.00 -1.78 0.00 0.00 34.13 29.68 1ibz s GLU 77 CO 0.00 0.13 -0.14 0.99 -0.49 0.00 0.00 175.26 175.75 1ibz s THR 78 N -2.30 1.32 -0.02 3.63 2.01 -1.26 -0.69 115.64 118.33 1ibz s THR 78 Ca 0.40 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1ibz s THR 78 Cb -0.10 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 1ibz s THR 78 CO 0.35 0.40 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.83 1ibz s LYS 79 N 0.65 0.97 -0.33 4.92 2.20 -0.19 -4.98 119.74 122.98 1ibz s LYS 79 Ca -0.14 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 54.94 1ibz s LYS 79 Cb -0.16 -0.92 -0.01 0.00 -1.51 0.00 0.00 37.83 35.23 1ibz s LYS 79 CO 0.04 0.18 0.41 0.99 -0.36 0.00 0.00 175.35 176.61 1ibz s THR 80 N -0.04 5.13 -0.14 3.43 2.01 -1.26 -0.77 115.64 124.00 1ibz s THR 80 Ca 0.00 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 1ibz s THR 80 Cb -0.07 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1ibz s THR 80 CO 0.00 -0.09 0.27 -0.63 -0.69 0.00 0.00 174.62 173.49 1ibz s ILE 81 N 2.13 5.31 -0.02 1.82 -1.09 0.15 -4.92 121.20 124.58 1ibz s ILE 81 Ca 0.14 0.51 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1ibz s ILE 81 Cb -0.16 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1ibz s ILE 81 CO 0.12 0.45 -0.02 -0.94 -1.23 0.00 0.00 174.94 173.31 1ibz s SER 82 N 0.06 0.48 0.29 3.58 1.04 -1.26 0.72 113.70 118.61 1ibz s SER 82 Ca 0.16 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.34 1ibz s SER 82 Cb -0.13 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.87 1ibz s SER 82 CO 0.05 -0.02 0.79 0.72 0.98 0.00 0.00 173.24 175.76 1ibz s PHE 83 N 0.46 -0.07 -0.17 5.02 -0.71 -0.22 -5.00 117.98 117.30 1ibz s PHE 83 Ca -0.05 -0.43 -0.01 0.00 -1.04 0.00 0.00 56.93 55.39 1ibz s PHE 83 Cb -0.08 0.74 -0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1ibz s PHE 83 CO -0.01 -1.27 -0.11 0.99 -1.34 0.00 0.00 175.22 173.49 1ibz s THR 84 N -3.23 3.05 -1.34 -4.49 2.01 -1.26 0.45 115.64 110.83 1ibz s THR 84 Ca 0.13 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1ibz s THR 84 Cb -0.05 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.18 1ibz s THR 84 CO 0.08 0.49 1.98 0.00 -0.69 0.00 0.00 174.62 176.48 1ibz n ALA 85 N 4.11 4.39 1.77 7.40 0.00 -1.07 -4.70 120.51 132.41 1ibz n ALA 85 Ca -0.18 -3.80 0.06 0.00 0.00 0.00 0.00 53.44 49.51 1ibz n ALA 85 Cb 0.52 -3.57 0.30 0.00 0.00 0.00 0.00 19.45 16.69 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 7.55 0.43 -3.85 0.00 3.85 -1.26 0.92 116.55 124.19 1ibz n ASP 86 Ca 0.50 -1.71 -0.15 0.00 -0.71 0.00 0.00 54.79 52.72 1ibz n ASP 86 Cb 0.43 -0.04 -0.15 0.00 -1.35 0.00 0.00 41.12 40.00 1ibz n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1ibz s LYS 87 N -1.92 0.20 0.26 0.11 1.02 -1.26 -4.80 119.74 113.34 1ibz s LYS 87 Ca 0.19 0.02 -0.16 0.00 0.02 0.00 0.00 55.97 56.03 1ibz s LYS 87 Cb 0.09 -0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.02 1ibz s LYS 87 CO 0.14 -0.05 0.70 0.00 -0.92 0.00 0.00 175.35 175.22 1ibz s ALA 88 N 0.51 3.40 0.00 5.17 0.00 -1.26 -4.72 121.76 124.85 1ibz s ALA 88 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1ibz s ALA 88 Cb -0.07 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1ibz s ALA 88 CO -0.01 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1ibz n GLY 89 N 0.20 0.24 2.99 0.00 0.00 -0.09 -4.95 105.19 103.57 1ibz n GLY 89 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 1.68 -0.04 4.61 0.00 -1.26 -0.50 121.76 125.25 1ibz s ALA 90 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1ibz s ALA 90 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1ibz s ALA 90 CO 0.00 -0.36 -0.20 -0.06 0.00 0.00 0.00 175.76 175.13 1ibz s PHE 91 N 1.51 1.92 0.10 0.00 0.40 0.32 -4.97 117.98 117.26 1ibz s PHE 91 Ca 0.04 -0.49 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 1ibz s PHE 91 Cb -0.13 -1.26 -0.07 0.00 0.51 0.00 0.00 43.02 42.06 1ibz s PHE 91 CO -0.09 -0.13 1.33 0.99 0.70 0.00 0.00 175.22 178.02 1ibz s THR 92 N -0.19 3.49 -0.32 0.64 2.01 -1.26 -0.26 115.64 119.74 1ibz s THR 92 Ca 0.00 1.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.96 1ibz s THR 92 Cb -0.11 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1ibz s THR 92 CO 0.01 0.09 0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 1ibz s ILE 93 N 1.05 5.21 0.17 1.82 1.01 -0.80 -4.41 121.20 125.26 1ibz s ILE 93 Ca 0.63 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.12 1ibz s ILE 93 Cb -0.35 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1ibz s ILE 93 CO 0.30 0.05 0.04 -1.66 0.00 0.00 0.00 174.94 173.67 1ibz s TRP 94 N 1.72 1.14 -0.24 3.97 1.48 -0.20 -0.58 118.94 126.22 1ibz s TRP 94 Ca 0.06 -1.12 -0.09 0.00 -1.06 0.00 0.00 56.10 53.89 1ibz s TRP 94 Cb -0.17 -0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 31.45 1ibz s TRP 94 CO 0.10 -0.34 0.13 0.00 -4.06 0.00 0.00 176.95 172.78 1ibz n GLN 96 N 4.48 1.42 -0.08 0.00 0.00 -1.26 -4.01 117.38 117.93 1ibz n GLN 96 Ca -0.15 -0.61 -0.14 0.00 0.00 0.00 0.00 57.00 56.09 1ibz n GLN 96 Cb 0.52 -1.49 -0.14 0.00 0.00 0.00 0.00 30.24 29.13 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 -0.25 1.56 -4.49 2.61 4.77 -1.26 -5.02 117.00 114.92 1ibz n LEU 97 Ca 0.21 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 1ibz n LEU 97 Cb 0.27 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1ibz n LEU 97 CO 0.17 0.69 -0.46 -1.00 -1.33 0.00 0.00 177.39 175.45 1ibz s HIS 98 N -2.53 2.33 0.29 -1.77 3.76 -1.26 -5.10 115.29 111.02 1ibz s HIS 98 Ca -0.19 -0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.11 1ibz s HIS 98 Cb 0.07 -1.02 -0.14 0.00 1.11 0.00 0.00 32.58 32.61 1ibz s HIS 98 CO 0.74 0.71 1.12 -2.30 -0.85 0.00 0.00 174.74 174.17 1ibz n PRO 99 N -0.65 1.59 -0.06 8.40 -0.02 -1.26 -4.74 135.00 138.27 1ibz n PRO 99 Ca -0.05 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1ibz n PRO 99 Cb 0.60 -2.02 0.54 0.00 -0.02 0.00 0.00 33.50 32.61 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 2.41 0.30 -0.51 -0.52 1.79 -1.88 -0.86 116.57 117.30 1ibz h LYS 100 Ca -0.42 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1ibz h LYS 100 Cb 1.32 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1ibz h LYS 100 CO 0.63 0.20 0.00 0.27 -1.08 0.00 0.00 179.45 179.47 1ibz n ASN 101 N -4.46 2.75 -0.05 0.86 6.94 -1.26 -3.52 115.26 116.51 1ibz n ASN 101 Ca 0.10 -2.04 -0.09 0.00 -0.02 0.00 0.00 54.58 52.53 1ibz n ASN 101 Cb 0.42 -0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 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 0.92 1.33 -3.29 1.53 2.08 -0.42 -4.75 119.36 116.75 1ibz n ILE 102 Ca 0.17 0.14 -0.47 0.00 0.56 0.00 0.00 62.75 63.15 1ibz n ILE 102 Cb 0.45 -2.02 -0.02 0.00 -0.75 0.00 0.00 39.64 37.29 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 -2.54 3.64 0.21 1.39 2.46 -0.65 -1.47 115.29 118.32 1ibz s HIS 103 Ca -0.20 -1.84 -0.32 0.00 0.47 0.00 0.00 55.06 53.17 1ibz s HIS 103 Cb 0.04 -3.86 -0.14 0.00 -0.13 0.00 0.00 32.58 28.50 1ibz s HIS 103 CO 0.29 -1.04 1.47 1.28 -2.47 0.00 0.00 174.74 174.27 1ibz n LEU 104 N 4.37 3.10 -4.78 8.88 4.77 -1.00 -4.60 117.00 127.75 1ibz n LEU 104 Ca 0.11 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.89 1ibz n LEU 104 Cb 0.46 -1.43 0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1ibz n LEU 104 CO 0.38 -0.41 0.71 -2.84 -1.33 0.00 0.00 177.39 173.90 1ibz s PRO 105 N 0.09 2.58 0.00 3.23 0.02 -1.26 -4.53 135.00 135.14 1ibz s PRO 105 Ca 0.72 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1ibz s PRO 105 Cb -0.66 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1ibz s PRO 105 CO 0.45 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.13 1ibz n GLY 106 N -1.09 6.49 3.11 0.52 0.00 0.25 -4.96 105.19 109.51 1ibz n GLY 106 Ca 0.09 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 0.13 -0.01 -0.25 2.61 2.01 -0.86 -1.90 115.64 117.37 1ibz s THR 107 Ca 0.00 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1ibz s THR 107 Cb 0.00 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1ibz s THR 107 CO 0.00 0.01 0.05 -0.22 -0.69 0.00 0.00 174.62 173.77 1ibz s LEU 108 N 0.39 3.36 -0.20 4.42 2.96 0.64 -0.36 118.68 129.89 1ibz s LEU 108 Ca -0.02 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1ibz s LEU 108 Cb -0.04 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1ibz s LEU 108 CO -0.02 -0.05 -0.02 0.20 -1.32 0.00 0.00 176.35 175.14 1ibz s ASN 109 N 1.57 4.63 -0.39 3.68 0.01 0.19 -0.52 114.94 124.10 1ibz s ASN 109 Ca 0.06 -0.26 -0.07 0.00 -0.71 0.00 0.00 52.86 51.88 1ibz s ASN 109 Cb -0.15 -1.78 0.08 0.00 0.41 0.00 0.00 41.25 39.80 1ibz s ASN 109 CO 0.02 0.05 0.20 -0.69 -1.51 0.00 0.00 177.10 175.17 1ibz s VAL 110 N 1.05 3.84 0.03 1.60 1.01 0.34 -0.40 120.40 127.88 1ibz s VAL 110 Ca 0.01 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.32 1ibz s VAL 110 Cb -0.14 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1ibz s VAL 110 CO 0.01 -0.46 0.49 -0.69 0.00 0.00 0.00 175.10 174.45 1ibz s VAL 111 N 1.34 4.90 -2.00 2.92 1.01 0.13 -0.91 120.40 127.80 1ibz s VAL 111 Ca 0.03 1.03 0.22 0.00 0.00 0.00 0.00 61.98 63.25 1ibz s VAL 111 Cb -0.22 -3.81 0.63 0.00 0.00 0.00 0.00 36.38 32.98 1ibz s VAL 111 CO 0.00 0.55 1.69 -0.62 0.00 0.00 0.00 175.10 176.73