#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 1.13 0.16 -1.44 5.03 -2.02 -3.13 117.51 117.23 3hsb h ILE 6 Ca 0.00 -0.34 0.00 0.00 -0.12 0.00 0.00 64.86 64.40 3hsb h ILE 6 Cb 0.00 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 33.82 3hsb h ILE 6 CO 0.00 0.18 -0.14 -0.61 -0.68 0.00 0.00 178.15 176.90 3hsb h GLN 7 N 1.00 -0.30 0.00 2.37 4.15 -2.06 -0.91 115.11 119.36 3hsb h GLN 7 Ca 0.32 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.71 3hsb h GLN 7 Cb 0.04 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3hsb h GLN 7 CO -0.10 -0.20 -0.26 -0.44 -1.93 0.00 0.00 178.83 175.90 3hsb h ASP 8 N -0.32 0.00 0.33 -0.69 3.32 -2.00 -1.67 116.42 115.39 3hsb h ASP 8 Ca -0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.73 3hsb h ASP 8 Cb 0.29 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.87 3hsb h ASP 8 CO -0.03 0.26 -1.38 1.56 -1.72 0.00 0.00 179.24 177.94 3hsb h GLN 9 N 0.00 0.49 -0.51 3.56 4.20 -1.45 -3.12 115.11 118.28 3hsb h GLN 9 Ca -0.00 -0.80 -0.12 0.00 0.06 0.00 0.00 58.65 57.79 3hsb h GLN 9 Cb 0.69 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3hsb h GLN 9 CO 0.03 1.37 -0.15 0.35 -0.67 0.00 0.00 178.83 179.76 3hsb h PHE 10 N 0.16 1.13 -0.05 2.96 3.57 -0.96 -2.45 116.94 121.30 3hsb h PHE 10 Ca -0.21 -0.25 -0.21 0.00 3.53 0.00 0.00 57.97 60.82 3hsb h PHE 10 Cb 2.07 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.54 3hsb h PHE 10 CO 0.11 1.07 -0.84 -0.07 -2.23 0.00 0.00 178.31 176.35 3hsb h LEU 11 N 0.86 0.58 -0.91 0.59 3.38 -1.39 -2.52 115.31 115.90 3hsb h LEU 11 Ca 0.12 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hsb h LEU 11 Cb 0.73 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3hsb h LEU 11 CO 0.06 1.20 0.42 -1.13 0.09 0.00 0.00 178.44 179.08 3hsb h ASN 12 N 0.29 1.09 0.24 -0.43 -0.73 -1.61 -1.48 115.58 112.95 3hsb h ASN 12 Ca -0.06 -0.12 -0.27 0.00 1.87 0.00 0.00 56.30 57.72 3hsb h ASN 12 Cb 1.46 -0.28 0.02 0.00 0.27 0.00 0.00 38.32 39.78 3hsb h ASN 12 CO 0.15 0.90 -1.13 1.56 -0.37 0.00 0.00 177.43 178.54 3hsb h GLN 13 N 1.20 0.53 0.00 6.67 7.50 -1.30 -0.41 115.11 129.29 3hsb h GLN 13 Ca 0.29 -0.66 -0.02 0.00 0.50 0.00 0.00 58.65 58.76 3hsb h GLN 13 Cb 0.09 0.21 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 3hsb h GLN 13 CO -0.04 1.27 -0.08 -0.84 -1.50 0.00 0.00 178.83 177.65 3hsb h ILE 14 N 0.25 0.44 0.23 2.54 3.07 -1.52 -1.41 117.51 121.11 3hsb h ILE 14 Ca -0.14 -0.39 -0.34 0.00 1.55 0.00 0.00 64.86 65.54 3hsb h ILE 14 Cb 1.80 1.27 0.03 0.00 -0.27 0.00 0.00 36.82 39.64 3hsb h ILE 14 CO 0.21 0.08 -1.56 -0.09 -1.05 0.00 0.00 178.15 175.73 3hsb h ARG 15 N 0.00 0.49 0.12 0.16 2.43 -0.96 -0.34 114.38 116.27 3hsb h ARG 15 Ca -0.00 -0.83 -0.30 0.00 -0.81 0.00 0.00 59.98 58.04 3hsb h ARG 15 Cb 0.26 0.31 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3hsb h ARG 15 CO 0.01 1.40 -1.47 0.87 -1.51 0.00 0.00 179.97 179.27 3hsb h LYS 16 N 0.12 0.25 -0.75 0.20 1.57 -1.01 -3.05 116.57 113.89 3hsb h LYS 16 Ca -0.29 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3hsb h LYS 16 Cb 2.13 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.60 3hsb h LYS 16 CO 0.24 1.12 0.00 0.39 -0.57 0.00 0.00 179.45 180.63 3hsb n GLU 17 N -3.46 2.61 -3.58 3.15 4.71 -0.54 -4.92 120.64 118.62 3hsb n GLU 17 Ca -0.15 -1.37 -0.19 0.00 -0.01 0.00 0.00 57.16 55.44 3hsb n GLU 17 Cb 1.04 -1.77 -0.04 0.00 -1.01 0.00 0.00 31.44 29.66 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 0.30 -0.03 -4.74 1.62 3.02 -0.83 -4.80 115.26 109.80 3hsb n ASN 18 Ca 0.12 -0.70 -0.41 0.00 -0.03 0.00 0.00 54.58 53.56 3hsb n ASN 18 Cb 0.62 -0.86 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3hsb n ASN 18 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hsb s THR 19 N -3.84 3.49 -0.84 3.41 2.01 -0.20 -4.93 115.64 114.74 3hsb s THR 19 Ca 0.05 1.25 -0.22 0.00 0.31 0.00 0.00 61.69 63.09 3hsb s THR 19 Cb -0.03 -3.80 -0.19 0.00 0.01 0.00 0.00 72.50 68.50 3hsb s THR 19 CO 0.54 0.20 2.17 -1.22 -0.69 0.00 0.00 174.62 175.62 3hsb n TYR 20 N 2.53 0.83 -3.33 4.92 4.01 -1.26 -4.29 117.16 120.57 3hsb n TYR 20 Ca 0.05 -0.06 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3hsb n TYR 20 Cb 0.44 -2.16 -0.07 0.00 -0.31 0.00 0.00 39.34 37.24 3hsb n TYR 20 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hsb s VAL 21 N 12.48 5.16 0.35 -0.72 0.11 -0.74 -1.63 120.40 135.41 3hsb s VAL 21 Ca 0.87 0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 60.49 3hsb s VAL 21 Cb -0.19 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 30.79 3hsb s VAL 21 CO 0.17 0.20 0.89 -0.89 -3.33 0.00 0.00 175.10 172.14 3hsb s THR 22 N 1.58 4.39 -0.20 5.04 2.01 -0.60 -2.54 115.64 125.32 3hsb s THR 22 Ca 0.20 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.71 3hsb s THR 22 Cb -0.15 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.63 3hsb s THR 22 CO 0.09 -0.07 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 3hsb s VAL 23 N -1.87 1.36 -0.11 3.82 1.01 0.11 -0.76 120.40 123.95 3hsb s VAL 23 Ca 0.54 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3hsb s VAL 23 Cb -0.13 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3hsb s VAL 23 CO 0.18 0.02 0.27 -0.36 0.00 0.00 0.00 175.10 175.21 3hsb s PHE 24 N 1.50 3.56 0.30 5.22 0.08 0.20 -1.42 117.98 127.41 3hsb s PHE 24 Ca -0.03 0.66 0.06 0.00 0.12 0.00 0.00 56.93 57.74 3hsb s PHE 24 Cb -0.17 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 3hsb s PHE 24 CO -0.07 0.47 0.38 -0.51 -0.10 0.00 0.00 175.22 175.38 3hsb s LEU 25 N -0.29 4.01 0.32 -0.37 1.43 -0.16 -0.37 118.68 123.24 3hsb s LEU 25 Ca 0.17 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3hsb s LEU 25 Cb -0.13 -2.66 0.72 0.00 0.03 0.00 0.00 46.19 44.15 3hsb s LEU 25 CO 0.06 -0.26 1.84 -0.07 0.23 0.00 0.00 176.35 178.15 3hsb h LEU 26 N 1.10 0.76 0.00 1.79 3.38 -0.05 0.27 115.31 122.57 3hsb h LEU 26 Ca -0.48 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3hsb h LEU 26 Cb 1.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hsb h LEU 26 CO 0.57 0.37 0.00 -0.46 0.09 0.00 0.00 178.44 179.01 3hsb n ASN 27 N -4.61 0.00 0.00 -0.43 0.23 -1.26 -4.88 115.26 104.31 3hsb n ASN 27 Ca 0.19 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.91 3hsb n ASN 27 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 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 0.40 2.79 3.77 4.83 0.00 0.93 -5.02 105.19 112.89 3hsb n GLY 28 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.50 2.50 -0.00 1.61 2.19 -1.26 -4.61 117.98 115.91 3hsb s PHE 29 Ca 0.00 1.23 0.07 0.00 0.33 0.00 0.00 56.93 58.56 3hsb s PHE 29 Cb 0.00 -3.95 -0.02 0.00 -1.31 0.00 0.00 43.02 37.74 3hsb s PHE 29 CO 0.00 -2.96 -0.23 1.14 1.83 0.00 0.00 175.22 175.00 3hsb s GLN 30 N -2.34 1.76 0.02 10.12 -2.07 -1.26 -0.99 119.66 124.90 3hsb s GLN 30 Ca 0.58 -0.85 0.02 0.00 -1.82 0.00 0.00 55.36 53.29 3hsb s GLN 30 Cb -0.45 -1.74 -0.02 0.00 -1.09 0.00 0.00 33.01 29.71 3hsb s GLN 30 CO 0.58 0.47 -0.07 -0.48 -1.32 0.00 0.00 175.29 174.47 3hsb s LEU 31 N -0.69 2.16 0.05 2.60 2.34 -0.51 -4.95 118.68 119.68 3hsb s LEU 31 Ca 0.09 -0.37 0.07 0.00 0.06 0.00 0.00 54.13 53.97 3hsb s LEU 31 Cb -0.09 -0.24 -0.03 0.00 -0.56 0.00 0.00 46.19 45.27 3hsb s LEU 31 CO -0.00 -0.08 -0.15 -0.13 -1.06 0.00 0.00 176.35 174.93 3hsb s ARG 32 N -0.99 2.14 0.00 1.48 1.81 -1.26 0.04 118.95 122.16 3hsb s ARG 32 Ca -0.05 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 3hsb s ARG 32 Cb -0.07 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 3hsb s ARG 32 CO 0.00 0.54 0.00 0.41 -0.68 0.00 0.00 175.30 175.57 3hsb n GLY 33 N 1.36 -0.75 3.21 -3.53 0.00 -1.05 -4.49 105.19 99.94 3hsb n GLY 33 Ca -0.16 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.35 1.12 0.09 1.61 -0.21 -0.75 -1.80 119.66 119.38 3hsb s GLN 34 Ca 0.00 -0.93 -0.26 0.00 0.02 0.00 0.00 55.36 54.19 3hsb s GLN 34 Cb 0.00 -1.22 -0.06 0.00 1.00 0.00 0.00 33.01 32.73 3hsb s GLN 34 CO 0.00 0.30 0.82 0.08 -2.12 0.00 0.00 175.29 174.37 3hsb s VAL 35 N -0.94 4.57 -0.09 1.09 1.01 -1.26 -1.16 120.40 123.62 3hsb s VAL 35 Ca 0.04 1.76 0.03 0.00 0.00 0.00 0.00 61.98 63.82 3hsb s VAL 35 Cb -0.09 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3hsb s VAL 35 CO 0.02 0.39 0.11 0.29 0.00 0.00 0.00 175.10 175.91 3hsb n LYS 36 N 2.49 3.64 -3.61 2.72 4.76 0.68 -4.52 118.16 124.31 3hsb n LYS 36 Ca -0.02 -0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.36 3hsb n LYS 36 Cb 0.49 -0.82 -0.04 0.00 -1.84 0.00 0.00 35.03 32.83 3hsb n LYS 36 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hsb s GLY 37 N -1.72 -0.14 0.04 0.72 0.00 -1.20 -5.00 107.32 100.02 3hsb s GLY 37 Ca 0.00 2.18 -0.21 0.00 0.00 0.00 0.00 44.72 46.69 3hsb s GLY 37 CO 0.13 0.88 0.49 -0.11 0.00 0.00 0.00 173.10 174.49 3hsb s PHE 38 N -1.55 -0.38 0.00 1.90 -0.12 -1.26 -0.87 117.98 115.71 3hsb s PHE 38 Ca 0.06 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.35 3hsb s PHE 38 Cb -0.01 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.69 3hsb s PHE 38 CO -0.04 -0.62 0.00 -0.40 -0.05 0.00 0.00 175.22 174.11 3hsb n ASP 39 N 0.44 0.83 0.10 1.98 5.68 -0.12 -5.00 116.55 120.47 3hsb n ASP 39 Ca -0.18 -0.34 0.18 0.00 -0.50 0.00 0.00 54.79 53.95 3hsb n ASP 39 Cb 0.60 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.32 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 -3.26 115.58 111.51 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 0.00 -0.69 0.49 -1.65 0.00 0.00 177.43 175.58 3hsb n PHE 41 N -4.12 0.00 -3.88 1.19 3.01 -1.26 -4.96 117.46 107.44 3hsb n PHE 41 Ca 0.06 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.41 3hsb n PHE 41 Cb 0.48 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.85 3hsb n PHE 41 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3hsb s THR 42 N -1.73 0.11 -0.07 4.37 -1.32 -1.23 0.04 115.64 115.80 3hsb s THR 42 Ca -0.00 -0.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.65 3hsb s THR 42 Cb 0.01 -0.70 -0.00 0.00 -1.51 0.00 0.00 72.50 70.30 3hsb s THR 42 CO 0.04 -0.48 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.07 3hsb s VAL 43 N -2.06 1.80 -0.47 5.08 1.01 0.90 -0.94 120.40 125.72 3hsb s VAL 43 Ca -0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 3hsb s VAL 43 Cb -0.04 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.87 3hsb s VAL 43 CO -0.02 0.50 0.38 -0.22 0.00 0.00 0.00 175.10 175.74 3hsb s LEU 44 N 0.21 5.59 -0.20 3.92 2.96 -0.04 0.25 118.68 131.36 3hsb s LEU 44 Ca -0.12 -1.42 -0.08 0.00 -0.22 0.00 0.00 54.13 52.30 3hsb s LEU 44 Cb -0.15 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3hsb s LEU 44 CO 0.06 -0.65 0.07 -0.22 -1.32 0.00 0.00 176.35 174.29 3hsb s LEU 45 N 1.59 3.76 -0.16 -0.68 2.96 -0.30 -0.23 118.68 125.61 3hsb s LEU 45 Ca 0.04 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 3hsb s LEU 45 Cb -0.25 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3hsb s LEU 45 CO 0.05 0.13 0.47 -1.61 -1.32 0.00 0.00 176.35 174.07 3hsb s GLU 46 N 0.66 4.26 -0.11 1.98 2.02 -0.31 0.54 118.70 127.74 3hsb s GLU 46 Ca 0.04 0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.41 3hsb s GLU 46 Cb -0.13 -3.49 0.02 0.00 0.10 0.00 0.00 34.13 30.62 3hsb s GLU 46 CO 0.02 0.03 -0.12 -1.12 0.02 0.00 0.00 175.26 174.08 3hsb s SER 47 N 0.86 2.28 -1.22 -0.19 0.01 -0.20 -1.81 113.70 113.43 3hsb s SER 47 Ca 0.24 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 56.97 3hsb s SER 47 Cb -0.15 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.09 3hsb s SER 47 CO 0.09 -0.03 0.68 -0.62 0.41 0.00 0.00 173.24 173.78 3hsb n GLU 48 N 4.43 -1.96 0.00 12.44 -0.58 -1.26 -1.03 120.64 132.67 3hsb n GLU 48 Ca -0.18 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 3hsb n GLU 48 Cb 0.51 -4.23 0.00 0.00 -0.57 0.00 0.00 31.44 27.15 3hsb n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hsb n GLY 49 N -1.77 0.53 3.73 0.62 0.00 -1.26 -4.94 105.19 102.10 3hsb n GLY 49 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3hsb n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsb s LYS 50 N 0.00 4.29 0.26 1.61 -2.85 -0.20 -5.05 119.74 117.81 3hsb s LYS 50 Ca 0.00 0.34 -0.22 0.00 -1.00 0.00 0.00 55.97 55.10 3hsb s LYS 50 Cb 0.00 -3.42 -0.09 0.00 -2.06 0.00 0.00 37.83 32.26 3hsb s LYS 50 CO 0.00 0.21 0.81 -0.65 0.10 0.00 0.00 175.35 175.82 3hsb s GLN 51 N 0.49 4.36 -0.04 1.78 -0.21 -1.26 -1.03 119.66 123.74 3hsb s GLN 51 Ca 0.23 1.03 -0.01 0.00 0.02 0.00 0.00 55.36 56.63 3hsb s GLN 51 Cb -0.15 -2.82 0.03 0.00 1.00 0.00 0.00 33.01 31.07 3hsb s GLN 51 CO 0.09 0.34 0.02 -0.65 -2.12 0.00 0.00 175.29 172.97 3hsb s GLN 52 N -2.06 0.22 -0.34 2.91 -0.21 0.19 -4.96 119.66 115.42 3hsb s GLN 52 Ca 0.46 0.20 -0.17 0.00 0.02 0.00 0.00 55.36 55.87 3hsb s GLN 52 Cb -0.17 -0.61 -0.01 0.00 1.00 0.00 0.00 33.01 33.22 3hsb s GLN 52 CO 0.22 -0.25 0.48 -1.17 -2.12 0.00 0.00 175.29 172.44 3hsb s LEU 53 N 1.71 4.34 -0.17 2.90 2.96 -1.26 -1.15 118.68 128.01 3hsb s LEU 53 Ca -0.00 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3hsb s LEU 53 Cb -0.13 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3hsb s LEU 53 CO -0.03 -0.44 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.89 3hsb s ILE 54 N 2.31 3.66 0.10 6.68 1.01 0.14 -4.97 121.20 130.13 3hsb s ILE 54 Ca 0.17 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 3hsb s ILE 54 Cb -0.16 -2.62 -0.08 0.00 0.01 0.00 0.00 42.46 39.62 3hsb s ILE 54 CO 0.13 0.47 1.41 -0.31 0.00 0.00 0.00 174.94 176.64 3hsb s TYR 55 N 0.70 3.14 0.29 3.97 2.02 -1.26 -0.07 117.35 126.14 3hsb s TYR 55 Ca -0.02 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.59 3hsb s TYR 55 Cb -0.15 -3.70 0.62 0.00 -0.40 0.00 0.00 41.96 38.33 3hsb s TYR 55 CO 0.02 -2.51 1.80 0.87 -1.57 0.00 0.00 175.55 174.16 3hsb h LYS 56 N 7.03 0.81 0.00 -0.62 1.57 -0.73 -0.69 116.57 123.94 3hsb h LYS 56 Ca -0.42 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hsb h LYS 56 Cb 1.20 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3hsb h LYS 56 CO 0.88 0.54 0.05 1.12 -0.57 0.00 0.00 179.45 181.46 3hsb h HIS 57 N 0.84 0.00 0.00 -1.35 2.07 -1.93 -0.98 115.15 113.80 3hsb h HIS 57 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 3hsb h HIS 57 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3hsb h HIS 57 CO -0.02 0.00 -1.14 0.00 -3.07 0.00 0.00 177.93 173.70 3hsb n ALA 58 N -1.83 3.53 -2.71 6.11 0.00 -0.27 -4.91 120.51 120.42 3hsb n ALA 58 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 3hsb n ALA 58 Cb 0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.21 4.90 -0.10 0.00 1.01 -0.37 0.66 121.20 124.08 3hsb s ILE 59 Ca 0.03 1.94 -0.02 0.00 0.00 0.00 0.00 60.65 62.60 3hsb s ILE 59 Cb 0.15 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3hsb s ILE 59 CO 0.82 0.16 0.05 -1.28 0.00 0.00 0.00 174.94 174.69 3hsb h SER 60 N 6.82 -0.01 -3.60 3.58 0.87 -0.91 -3.43 113.55 116.88 3hsb h SER 60 Ca -0.40 -0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 59.96 3hsb h SER 60 Cb 1.21 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.91 3hsb h SER 60 CO 0.76 0.52 -0.36 -0.89 -0.53 0.00 0.00 176.83 176.33 3hsb s THR 61 N -1.61 -0.01 -0.25 2.23 2.01 -0.96 -5.00 115.64 112.05 3hsb s THR 61 Ca -0.01 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 3hsb s THR 61 Cb -0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 3hsb s THR 61 CO 0.04 0.02 0.16 -0.36 -0.69 0.00 0.00 174.62 173.79 3hsb s PHE 62 N 0.68 3.28 -0.50 4.92 0.40 -1.26 -0.63 117.98 124.87 3hsb s PHE 62 Ca -0.04 0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.42 3hsb s PHE 62 Cb -0.05 -2.29 0.13 0.00 0.51 0.00 0.00 43.02 41.31 3hsb s PHE 62 CO -0.04 -0.00 0.32 0.00 0.70 0.00 0.00 175.22 176.19 3hsb s ALA 63 N 1.24 3.35 1.32 5.36 0.00 0.06 -4.97 121.76 128.12 3hsb s ALA 63 Ca 0.07 -2.79 -0.18 0.00 0.00 0.00 0.00 51.96 49.05 3hsb s ALA 63 Cb -0.14 -2.59 0.33 0.00 0.00 0.00 0.00 23.12 20.73 3hsb s ALA 63 CO 0.06 -1.93 0.97 -1.25 0.00 0.00 0.00 175.76 173.61 3hsb s PRO 64 N 0.76 -2.11 -0.18 0.00 0.04 -1.26 -1.56 135.00 130.68 3hsb s PRO 64 Ca 0.11 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 3hsb s PRO 64 Cb -0.22 -1.45 -0.14 0.00 0.04 0.00 0.00 34.50 32.74 3hsb s PRO 64 CO -0.04 -4.41 0.09 0.37 0.04 0.00 0.00 177.00 173.05 3hsb h GLN 65 N -3.10 0.00 -6.48 4.56 5.75 -1.66 -3.45 115.11 110.74 3hsb h GLN 65 Ca -0.52 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.33 3hsb h GLN 65 Cb 1.34 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.75 3hsb h GLN 65 CO 0.39 0.65 -0.71 0.15 -2.65 0.00 0.00 178.83 176.65 3hsb s LYS 66 N -2.30 2.19 0.52 1.69 -0.14 -1.26 -5.10 119.74 115.33 3hsb s LYS 66 Ca -0.23 -1.08 -0.06 0.00 -1.36 0.00 0.00 55.97 53.23 3hsb s LYS 66 Cb 0.04 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 3hsb s LYS 66 CO 0.46 0.48 0.84 -0.80 -0.76 0.00 0.00 175.35 175.57 3hsb s ASN 67 N -2.49 6.14 0.02 2.83 0.01 -1.26 -5.04 114.94 115.13 3hsb s ASN 67 Ca 0.24 0.95 0.03 0.00 -0.71 0.00 0.00 52.86 53.36 3hsb s ASN 67 Cb -0.10 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 3hsb s ASN 67 CO 0.15 -0.70 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.32 3hsb s VAL 68 N -2.84 3.95 -0.13 1.60 1.01 -1.26 -5.09 120.40 117.64 3hsb s VAL 68 Ca 0.49 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 3hsb s VAL 68 Cb -0.10 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3hsb s VAL 68 CO 0.46 0.34 0.66 -1.10 0.00 0.00 0.00 175.10 175.46 3hsb s GLN 69 N -1.64 4.34 0.00 2.72 -0.21 -1.26 -5.13 119.66 118.48 3hsb s GLN 69 Ca 0.20 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.33 3hsb s GLN 69 Cb -0.11 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.39 3hsb s GLN 69 CO 0.11 -0.07 0.07 1.28 -2.12 0.00 0.00 175.29 174.56