#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsb h ILE 6 N 0.00 0.63 0.17 -1.44 2.04 -1.99 -2.62 117.51 114.29 3hsb h ILE 6 Ca 0.00 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3hsb h ILE 6 Cb 0.00 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 35.98 3hsb h ILE 6 CO 0.00 0.12 -0.26 -0.61 0.00 0.00 0.00 178.15 177.40 3hsb h GLN 7 N 0.65 -0.48 -0.06 2.37 4.15 -2.01 -0.89 115.11 118.84 3hsb h GLN 7 Ca 0.60 0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.93 3hsb h GLN 7 Cb 1.08 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 3hsb h GLN 7 CO -0.39 -0.32 -0.51 -0.44 -1.93 0.00 0.00 178.83 175.23 3hsb h ASP 8 N -0.50 0.17 -0.24 -0.69 3.45 -1.96 -1.15 116.42 115.50 3hsb h ASP 8 Ca 0.02 -0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.35 3hsb h ASP 8 Cb 0.50 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3hsb h ASP 8 CO -0.12 0.65 -0.02 1.56 -1.57 0.00 0.00 179.24 179.75 3hsb h GLN 9 N 0.12 0.44 0.18 3.56 4.20 -1.34 0.45 115.11 122.73 3hsb h GLN 9 Ca 0.00 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3hsb h GLN 9 Cb 0.95 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3hsb h GLN 9 CO 0.07 0.63 -0.39 0.35 -0.67 0.00 0.00 178.83 178.82 3hsb h PHE 10 N 0.20 -1.09 -0.37 2.96 3.57 -0.97 0.70 116.94 121.93 3hsb h PHE 10 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3hsb h PHE 10 Cb 0.44 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3hsb h PHE 10 CO 0.04 -0.51 0.05 -0.07 -2.23 0.00 0.00 178.31 175.60 3hsb h LEU 11 N -0.67 0.60 -1.38 0.59 3.38 -1.24 -0.88 115.31 115.72 3hsb h LEU 11 Ca 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3hsb h LEU 11 Cb 0.67 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hsb h LEU 11 CO -0.19 0.72 0.16 -1.13 0.09 0.00 0.00 178.44 178.08 3hsb h ASN 12 N 0.47 0.52 0.78 -0.43 -1.24 -0.83 -1.51 115.58 113.33 3hsb h ASN 12 Ca 0.11 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 3hsb h ASN 12 Cb 0.38 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.30 3hsb h ASN 12 CO 0.01 0.48 -0.37 1.56 -1.29 0.00 0.00 177.43 177.81 3hsb h GLN 13 N 0.57 -1.01 -0.01 6.67 1.08 -0.44 0.78 115.11 122.76 3hsb h GLN 13 Ca 0.14 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3hsb h GLN 13 Cb 0.12 0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3hsb h GLN 13 CO -0.01 -0.67 0.03 -0.84 -0.95 0.00 0.00 178.83 176.39 3hsb h ILE 14 N -1.24 0.07 0.10 2.54 3.07 -1.19 0.23 117.51 121.10 3hsb h ILE 14 Ca -0.11 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 66.12 3hsb h ILE 14 Cb 0.80 0.97 0.02 0.00 -0.27 0.00 0.00 36.82 38.34 3hsb h ILE 14 CO 0.18 0.00 -0.78 -0.09 -1.05 0.00 0.00 178.15 176.41 3hsb h ARG 15 N 0.00 0.34 -0.34 0.16 2.43 -1.14 -2.01 114.38 113.82 3hsb h ARG 15 Ca 0.00 -0.51 -0.07 0.00 -0.81 0.00 0.00 59.98 58.60 3hsb h ARG 15 Cb 0.07 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3hsb h ARG 15 CO -0.00 1.21 -0.05 0.87 -1.51 0.00 0.00 179.97 180.49 3hsb h LYS 16 N -0.27 0.63 -0.00 0.20 1.57 0.12 -2.92 116.57 115.89 3hsb h LYS 16 Ca -0.13 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3hsb h LYS 16 Cb 1.57 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3hsb h LYS 16 CO 0.15 0.78 -0.01 0.39 -0.57 0.00 0.00 179.45 180.19 3hsb n GLU 17 N -4.46 0.84 -3.81 3.15 4.71 0.61 -4.92 120.64 116.76 3hsb n GLU 17 Ca -0.02 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.16 56.78 3hsb n GLU 17 Cb 0.31 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3hsb n GLU 17 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hsb n ASN 18 N -1.03 -3.87 -4.76 1.62 4.13 -1.10 -4.92 115.26 105.32 3hsb n ASN 18 Ca 0.20 -0.70 -0.36 0.00 1.68 0.00 0.00 54.58 55.40 3hsb n ASN 18 Cb 0.17 -3.16 0.02 0.00 -1.54 0.00 0.00 39.78 35.28 3hsb n ASN 18 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hsb s THR 19 N -3.14 2.70 0.18 3.41 2.01 -0.77 -4.98 115.64 115.05 3hsb s THR 19 Ca 0.59 0.46 -0.19 0.00 0.31 0.00 0.00 61.69 62.85 3hsb s THR 19 Cb -0.31 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 3hsb s THR 19 CO 0.73 -0.08 0.68 -0.31 -0.69 0.00 0.00 174.62 174.95 3hsb s TYR 20 N -1.58 3.70 -0.02 4.92 1.51 -1.26 -4.50 117.35 120.12 3hsb s TYR 20 Ca 0.75 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 58.16 3hsb s TYR 20 Cb -0.30 -2.58 0.02 0.00 -0.11 0.00 0.00 41.96 38.99 3hsb s TYR 20 CO 0.34 0.41 0.01 0.54 -1.11 0.00 0.00 175.55 175.74 3hsb s VAL 21 N -1.40 0.10 -0.24 0.71 0.11 0.14 0.19 120.40 120.00 3hsb s VAL 21 Ca 0.39 0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 59.31 3hsb s VAL 21 Cb -0.18 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3hsb s VAL 21 CO 0.21 0.12 0.81 -0.89 -3.33 0.00 0.00 175.10 172.01 3hsb s THR 22 N 0.91 4.85 -0.33 5.04 2.01 -0.79 -0.56 115.64 126.76 3hsb s THR 22 Ca -0.09 1.52 -0.20 0.00 0.31 0.00 0.00 61.69 63.23 3hsb s THR 22 Cb -0.12 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 3hsb s THR 22 CO -0.02 -0.06 0.63 -0.69 -0.69 0.00 0.00 174.62 173.78 3hsb s VAL 23 N 2.81 4.92 -0.17 3.82 1.01 0.15 -0.96 120.40 131.98 3hsb s VAL 23 Ca 0.34 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 62.91 3hsb s VAL 23 Cb -0.15 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3hsb s VAL 23 CO 0.07 -0.21 0.26 -0.36 0.00 0.00 0.00 175.10 174.86 3hsb s PHE 24 N 2.64 3.45 0.11 5.22 0.08 0.23 -1.26 117.98 128.44 3hsb s PHE 24 Ca 0.25 0.54 0.03 0.00 0.12 0.00 0.00 56.93 57.86 3hsb s PHE 24 Cb -0.15 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3hsb s PHE 24 CO 0.13 0.24 0.17 -0.51 -0.10 0.00 0.00 175.22 175.14 3hsb s LEU 25 N 0.49 4.05 0.43 -0.37 1.43 0.64 -0.12 118.68 125.23 3hsb s LEU 25 Ca 0.15 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.41 3hsb s LEU 25 Cb -0.13 -2.67 0.95 0.00 0.03 0.00 0.00 46.19 44.37 3hsb s LEU 25 CO 0.03 0.12 2.07 -0.07 0.23 0.00 0.00 176.35 178.73 3hsb h LEU 26 N 2.79 0.37 0.00 1.79 3.38 -0.65 -2.59 115.31 120.40 3hsb h LEU 26 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hsb h LEU 26 Cb 1.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hsb h LEU 26 CO 0.68 0.27 0.00 -0.46 0.09 0.00 0.00 178.44 179.02 3hsb n ASN 27 N -4.49 0.00 0.00 -0.43 0.23 -1.26 -4.80 115.26 104.51 3hsb n ASN 27 Ca 0.02 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 3hsb n ASN 27 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3hsb n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hsb n GLY 28 N 0.04 1.93 3.79 4.83 0.00 -0.98 -5.04 105.19 109.75 3hsb n GLY 28 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3hsb n GLY 28 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hsb s PHE 29 N -2.49 3.71 -0.01 1.61 2.19 -1.26 -4.84 117.98 116.90 3hsb s PHE 29 Ca 0.00 1.69 0.05 0.00 0.33 0.00 0.00 56.93 59.00 3hsb s PHE 29 Cb 0.00 -2.85 -0.01 0.00 -1.31 0.00 0.00 43.02 38.85 3hsb s PHE 29 CO 0.00 0.27 -0.16 1.14 1.83 0.00 0.00 175.22 178.30 3hsb s GLN 30 N -1.93 1.29 -0.03 10.12 -2.07 -1.26 -0.26 119.66 125.51 3hsb s GLN 30 Ca 0.47 -0.61 0.04 0.00 -1.82 0.00 0.00 55.36 53.44 3hsb s GLN 30 Cb -0.19 -1.26 -0.01 0.00 -1.09 0.00 0.00 33.01 30.47 3hsb s GLN 30 CO 0.24 0.34 -0.15 -0.51 -1.32 0.00 0.00 175.29 173.89 3hsb s LEU 31 N -0.48 1.93 -0.10 2.60 1.43 -0.39 -4.98 118.68 118.68 3hsb s LEU 31 Ca 0.06 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3hsb s LEU 31 Cb -0.06 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3hsb s LEU 31 CO -0.00 0.15 -0.09 -0.60 0.23 0.00 0.00 176.35 176.04 3hsb s ARG 32 N -0.08 3.08 0.00 1.70 3.52 -1.26 0.35 118.95 126.25 3hsb s ARG 32 Ca 0.00 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 3hsb s ARG 32 Cb -0.09 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 3hsb s ARG 32 CO 0.01 0.46 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 3hsb n GLY 33 N 2.84 0.91 3.47 8.12 0.00 0.27 -4.49 105.19 116.31 3hsb n GLY 33 Ca -0.18 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3hsb n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hsb s GLN 34 N 0.12 2.31 -0.23 1.61 -0.21 -0.55 -0.68 119.66 122.02 3hsb s GLN 34 Ca 0.00 -0.83 -0.28 0.00 0.02 0.00 0.00 55.36 54.27 3hsb s GLN 34 Cb 0.00 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.73 3hsb s GLN 34 CO 0.00 0.58 1.01 0.08 -2.12 0.00 0.00 175.29 174.85 3hsb s VAL 35 N -0.82 4.70 -0.15 1.09 1.01 -1.26 -0.18 120.40 124.78 3hsb s VAL 35 Ca 0.13 1.97 0.21 0.00 0.00 0.00 0.00 61.98 64.30 3hsb s VAL 35 Cb -0.11 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.84 3hsb s VAL 35 CO 0.03 -0.17 0.78 0.29 0.00 0.00 0.00 175.10 176.03 3hsb n LYS 36 N 6.29 0.63 0.00 2.72 4.76 0.90 -4.53 118.16 128.92 3hsb n LYS 36 Ca 0.11 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3hsb n LYS 36 Cb 0.46 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3hsb n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hsb n GLY 37 N 1.27 0.96 3.50 0.72 0.00 -1.14 -4.99 105.19 105.50 3hsb n GLY 37 Ca -0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 3hsb n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hsb s PHE 38 N -2.00 -0.45 0.00 1.61 -0.12 -1.26 -0.28 117.98 115.48 3hsb s PHE 38 Ca 0.00 0.48 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 3hsb s PHE 38 Cb 0.00 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 3hsb s PHE 38 CO 0.00 -0.58 0.00 -0.40 -0.05 0.00 0.00 175.22 174.19 3hsb n ASP 39 N 0.12 0.79 0.26 1.98 5.68 -0.73 -5.01 116.55 119.64 3hsb n ASP 39 Ca -0.13 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.27 3hsb n ASP 39 Cb 0.61 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.27 3hsb n ASP 39 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3hsb h ASN 40 N 0.00 0.00 0.00 -1.12 2.35 -2.04 -3.32 115.58 111.45 3hsb h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hsb h ASN 40 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hsb h ASN 40 CO 0.00 0.12 -1.42 0.49 -1.65 0.00 0.00 177.43 174.97 3hsb n PHE 41 N -3.93 0.00 -4.06 1.19 3.01 -1.26 -4.96 117.46 107.46 3hsb n PHE 41 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.36 3hsb n PHE 41 Cb 0.21 -0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 39.36 3hsb n PHE 41 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3hsb s THR 42 N -2.67 0.20 -0.11 4.37 -4.23 -1.25 -0.09 115.64 111.86 3hsb s THR 42 Ca -0.03 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 3hsb s THR 42 Cb 0.06 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.71 3hsb s THR 42 CO 0.42 -0.87 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.75 3hsb s VAL 43 N -3.30 1.73 -0.38 2.29 1.01 -0.07 -1.77 120.40 119.91 3hsb s VAL 43 Ca 0.01 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3hsb s VAL 43 Cb 0.03 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3hsb s VAL 43 CO -0.08 0.49 0.81 -0.22 0.00 0.00 0.00 175.10 176.10 3hsb s LEU 44 N 0.80 4.12 0.14 3.92 2.96 0.62 -1.07 118.68 130.18 3hsb s LEU 44 Ca -0.09 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 3hsb s LEU 44 Cb -0.16 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3hsb s LEU 44 CO 0.00 -0.79 -0.03 -0.22 -1.32 0.00 0.00 176.35 173.99 3hsb s LEU 45 N 3.21 3.25 -0.14 -0.68 2.96 -0.58 -0.07 118.68 126.62 3hsb s LEU 45 Ca 0.32 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3hsb s LEU 45 Cb -0.13 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3hsb s LEU 45 CO 0.18 0.13 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.44 3hsb s GLU 46 N -2.65 2.83 -0.18 1.98 2.12 0.75 -0.23 118.70 123.31 3hsb s GLU 46 Ca 0.25 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.81 3hsb s GLU 46 Cb -0.10 -2.34 0.03 0.00 0.26 0.00 0.00 34.13 31.98 3hsb s GLU 46 CO 0.17 -0.07 -0.14 0.45 -0.54 0.00 0.00 175.26 175.14 3hsb s SER 47 N 0.96 3.20 -1.24 -1.70 0.15 -0.63 -1.49 113.70 112.96 3hsb s SER 47 Ca -0.04 -0.75 -0.34 0.00 0.70 0.00 0.00 55.95 55.52 3hsb s SER 47 Cb -0.15 -1.31 0.05 0.00 -1.71 0.00 0.00 66.02 62.90 3hsb s SER 47 CO -0.04 -0.08 0.65 -1.84 1.20 0.00 0.00 173.24 173.12 3hsb n GLU 48 N 4.67 -0.25 0.00 5.44 0.28 -1.26 -1.42 120.64 128.10 3hsb n GLU 48 Ca -0.17 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3hsb n GLU 48 Cb 0.48 -2.53 0.00 0.00 1.43 0.00 0.00 31.44 30.82 3hsb n GLU 48 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hsb n GLY 49 N -2.13 2.32 3.71 -1.84 0.00 -1.26 -5.00 105.19 100.99 3hsb n GLY 49 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3hsb n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hsb s LYS 50 N 0.00 4.17 0.34 1.61 2.20 -0.51 -5.08 119.74 122.47 3hsb s LYS 50 Ca 0.00 -0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 3hsb s LYS 50 Cb 0.00 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.75 3hsb s LYS 50 CO 0.00 0.20 1.51 -0.65 -0.36 0.00 0.00 175.35 176.05 3hsb s GLN 51 N 0.62 4.14 -0.08 4.03 -0.21 -1.26 -1.60 119.66 125.30 3hsb s GLN 51 Ca 0.10 2.53 0.00 0.00 0.02 0.00 0.00 55.36 58.02 3hsb s GLN 51 Cb -0.12 -3.00 0.02 0.00 1.00 0.00 0.00 33.01 30.91 3hsb s GLN 51 CO 0.01 -0.53 -0.06 -0.65 -2.12 0.00 0.00 175.29 171.95 3hsb s GLN 52 N -1.46 1.13 -0.32 2.91 -0.21 0.68 -4.92 119.66 117.46 3hsb s GLN 52 Ca 0.56 -0.15 -0.21 0.00 0.02 0.00 0.00 55.36 55.59 3hsb s GLN 52 Cb -0.46 -1.20 -0.00 0.00 1.00 0.00 0.00 33.01 32.35 3hsb s GLN 52 CO 0.56 -0.18 0.66 -1.17 -2.12 0.00 0.00 175.29 173.05 3hsb s LEU 53 N 1.39 4.17 -0.11 2.90 2.96 -1.26 -1.53 118.68 127.20 3hsb s LEU 53 Ca -0.03 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3hsb s LEU 53 Cb -0.13 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 3hsb s LEU 53 CO -0.03 -0.54 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.70 3hsb s ILE 54 N 2.71 3.11 0.07 6.68 1.01 -0.24 -4.98 121.20 129.57 3hsb s ILE 54 Ca 0.26 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 3hsb s ILE 54 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 3hsb s ILE 54 CO 0.13 0.54 1.10 -0.31 0.00 0.00 0.00 174.94 176.39 3hsb s TYR 55 N 0.11 3.56 0.28 3.97 2.02 -1.26 -0.89 117.35 125.14 3hsb s TYR 55 Ca -0.06 1.52 0.02 0.00 -0.37 0.00 0.00 57.07 58.17 3hsb s TYR 55 Cb -0.15 -3.27 0.59 0.00 -0.40 0.00 0.00 41.96 38.73 3hsb s TYR 55 CO 0.04 -0.65 1.79 0.87 -1.57 0.00 0.00 175.55 176.03 3hsb h LYS 56 N 6.37 0.77 0.00 -0.62 1.57 -0.82 0.63 116.57 124.47 3hsb h LYS 56 Ca -0.42 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3hsb h LYS 56 Cb 1.22 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3hsb h LYS 56 CO 0.77 0.51 0.34 1.12 -0.57 0.00 0.00 179.45 181.62 3hsb h HIS 57 N 0.80 0.00 -0.02 -1.35 2.07 -1.92 -1.17 115.15 113.55 3hsb h HIS 57 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 3hsb h HIS 57 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 3hsb h HIS 57 CO -0.03 0.00 -0.20 0.00 -3.07 0.00 0.00 177.93 174.63 3hsb n ALA 58 N -1.78 2.93 -2.86 6.11 0.00 0.21 -4.92 120.51 120.20 3hsb n ALA 58 Ca -0.02 -0.65 -0.37 0.00 0.00 0.00 0.00 53.44 52.41 3hsb n ALA 58 Cb 0.38 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 3hsb n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsb s ILE 59 N -2.21 5.47 -0.24 0.00 1.01 -0.44 0.08 121.20 124.86 3hsb s ILE 59 Ca 0.25 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 61.01 3hsb s ILE 59 Cb 0.19 -3.40 -0.17 0.00 0.01 0.00 0.00 42.46 39.10 3hsb s ILE 59 CO 0.42 0.60 -0.14 -1.54 0.00 0.00 0.00 174.94 174.28 3hsb n SER 60 N 2.16 1.98 -3.77 3.58 3.41 0.83 -4.76 113.62 117.05 3hsb n SER 60 Ca -0.20 0.16 -0.13 0.00 -0.26 0.00 0.00 58.87 58.45 3hsb n SER 60 Cb 0.55 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 3hsb n SER 60 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hsb s THR 61 N -2.50 0.03 -0.09 6.66 2.01 -1.10 -5.02 115.64 115.63 3hsb s THR 61 Ca -0.34 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3hsb s THR 61 Cb 0.11 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 3hsb s THR 61 CO 0.58 -0.12 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.90 3hsb s PHE 62 N -0.50 2.79 -0.32 4.92 0.40 -1.26 -0.60 117.98 123.41 3hsb s PHE 62 Ca -0.06 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3hsb s PHE 62 Cb -0.04 -1.73 0.09 0.00 0.51 0.00 0.00 43.02 41.85 3hsb s PHE 62 CO 0.02 0.06 0.02 0.00 0.70 0.00 0.00 175.22 176.01 3hsb s ALA 63 N -0.30 2.76 0.70 5.36 0.00 -0.13 -4.99 121.76 125.16 3hsb s ALA 63 Ca 0.03 -2.33 -0.12 0.00 0.00 0.00 0.00 51.96 49.54 3hsb s ALA 63 Cb -0.13 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.14 3hsb s ALA 63 CO 0.03 -1.58 1.07 -1.25 0.00 0.00 0.00 175.76 174.03 3hsb s PRO 64 N 0.98 2.76 0.16 0.00 0.04 -1.26 -1.89 135.00 135.78 3hsb s PRO 64 Ca 0.07 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 3hsb s PRO 64 Cb -0.19 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.43 3hsb s PRO 64 CO -0.08 -1.25 1.70 -0.56 0.04 0.00 0.00 177.00 176.85 3hsb h GLN 65 N -0.62 0.78 -4.70 4.56 3.07 -0.63 -3.43 115.11 114.13 3hsb h GLN 65 Ca -0.44 -0.15 -0.44 0.00 0.09 0.00 0.00 58.65 57.71 3hsb h GLN 65 Cb 1.22 -0.12 -0.30 0.00 0.08 0.00 0.00 27.48 28.35 3hsb h GLN 65 CO 0.55 0.69 -0.79 0.15 0.09 0.00 0.00 178.83 179.52 3hsb s LYS 66 N -5.52 1.00 0.44 0.06 -0.14 -1.26 -5.08 119.74 109.25 3hsb s LYS 66 Ca -0.13 -0.34 -0.24 0.00 -1.36 0.00 0.00 55.97 53.90 3hsb s LYS 66 Cb 0.12 -0.94 -0.10 0.00 -1.68 0.00 0.00 37.83 35.23 3hsb s LYS 66 CO 0.78 0.14 0.99 0.09 -0.76 0.00 0.00 175.35 176.59 3hsb n ASN 67 N 3.19 1.14 -4.87 2.83 3.02 -1.26 -4.97 115.26 114.33 3hsb n ASN 67 Ca -0.17 1.00 -0.36 0.00 -0.03 0.00 0.00 54.58 55.03 3hsb n ASN 67 Cb 0.55 -1.35 -0.06 0.00 -0.61 0.00 0.00 39.78 38.31 3hsb n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hsb s VAL 68 N -1.31 5.27 -0.08 2.41 1.01 -1.26 -5.07 120.40 121.37 3hsb s VAL 68 Ca 0.64 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 3hsb s VAL 68 Cb -0.54 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3hsb s VAL 68 CO 0.56 0.44 0.56 -1.58 0.00 0.00 0.00 175.10 175.07 3hsb s GLN 69 N -1.54 4.35 0.09 2.72 0.74 -1.26 -5.06 119.66 119.70 3hsb s GLN 69 Ca 0.25 0.61 0.02 0.00 0.05 0.00 0.00 55.36 56.30 3hsb s GLN 69 Cb -0.14 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 3hsb s GLN 69 CO 0.14 0.18 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.47 3hsb s LEU 70 N 0.51 2.44 -0.24 3.68 1.43 -1.26 -4.98 118.68 120.26 3hsb s LEU 70 Ca 0.30 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 3hsb s LEU 70 Cb -0.16 -0.15 -0.05 0.00 0.03 0.00 0.00 46.19 45.85 3hsb s LEU 70 CO 0.14 -0.37 0.18 -1.83 0.23 0.00 0.00 176.35 174.70 3hsb s GLU 71 N -3.19 4.06 0.00 1.70 1.03 -1.26 -5.20 118.70 115.84 3hsb s GLU 71 Ca 0.07 -0.24 0.10 0.00 0.03 0.00 0.00 54.97 54.92 3hsb s GLU 71 Cb 0.01 -3.56 0.08 0.00 -0.80 0.00 0.00 34.13 29.86 3hsb s GLU 71 CO -0.02 0.02 0.81 1.28 -1.33 0.00 0.00 175.26 176.01