#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 1.03 0.35 -1.44 1.08 -1.99 -2.58 117.51 113.95 3hsb h ILE 6 Ca 0.00 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3hsb h ILE 6 Cb 0.00 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 3hsb h ILE 6 CO 0.00 0.11 -0.39 -0.61 -0.69 0.00 0.00 178.15 176.57 3hsb h GLN 7 N 0.61 -0.74 -0.60 2.37 4.15 -2.02 0.51 115.11 119.39 3hsb h GLN 7 Ca 0.22 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.74 3hsb h GLN 7 Cb 0.05 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 3hsb h GLN 7 CO -0.11 -0.49 0.32 -0.44 -1.93 0.00 0.00 178.83 176.18 3hsb h ASP 8 N -0.77 0.48 0.12 -0.69 3.45 -1.98 -0.73 116.42 116.31 3hsb h ASP 8 Ca -0.02 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 3hsb h ASP 8 Cb 0.70 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 3hsb h ASP 8 CO -0.09 0.32 -0.06 -0.61 -1.57 0.00 0.00 179.24 177.23 3hsb h GLN 9 N 0.62 -0.16 -0.07 3.56 4.15 -1.38 0.18 115.11 122.01 3hsb h GLN 9 Ca 0.26 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.71 3hsb h GLN 9 Cb 0.15 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3hsb h GLN 9 CO -0.16 -0.08 -0.06 0.35 -1.93 0.00 0.00 178.83 176.95 3hsb h PHE 10 N -0.19 -0.14 -0.33 3.99 3.57 -0.71 -0.51 116.94 122.63 3hsb h PHE 10 Ca -0.02 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 3hsb h PHE 10 Cb 0.15 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3hsb h PHE 10 CO -0.06 -0.09 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.44 3hsb h LEU 11 N -0.07 0.87 -0.63 0.59 3.38 -0.99 -1.24 115.31 117.23 3hsb h LEU 11 Ca 0.05 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 3hsb h LEU 11 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hsb h LEU 11 CO -0.11 1.17 -0.25 -1.13 0.09 0.00 0.00 178.44 178.20 3hsb h ASN 12 N 0.66 0.83 -0.09 -0.43 -1.24 -0.67 -0.69 115.58 113.95 3hsb h ASN 12 Ca 0.05 -0.32 -0.00 0.00 0.71 0.00 0.00 56.30 56.74 3hsb h ASN 12 Cb 0.98 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.80 3hsb h ASN 12 CO 0.09 1.05 0.04 1.56 -1.29 0.00 0.00 177.43 178.88 3hsb h GLN 13 N 0.70 0.13 0.00 6.67 1.08 -0.79 -1.55 115.11 121.34 3hsb h GLN 13 Ca 0.09 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 3hsb h GLN 13 Cb 0.78 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 3hsb h GLN 13 CO 0.06 0.23 -0.25 -0.84 -0.95 0.00 0.00 178.83 177.08 3hsb h ILE 14 N 0.01 0.69 0.33 2.54 3.07 -1.18 -0.04 117.51 122.92 3hsb h ILE 14 Ca 0.03 -1.11 -0.02 0.00 1.55 0.00 0.00 64.86 65.32 3hsb h ILE 14 Cb 0.14 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3hsb h ILE 14 CO -0.00 0.25 -0.16 -0.09 -1.05 0.00 0.00 178.15 177.10 3hsb h ARG 15 N 0.00 -0.43 0.00 0.16 2.43 -1.00 -1.10 114.38 114.44 3hsb h ARG 15 Ca -0.00 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3hsb h ARG 15 Cb 0.69 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3hsb h ARG 15 CO 0.03 -0.10 -0.37 1.57 -1.51 0.00 0.00 179.97 179.59 3hsb h LYS 16 N -0.91 0.00 -0.01 0.20 2.10 -1.15 -1.22 116.57 115.59 3hsb h LYS 16 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3hsb h LYS 16 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3hsb h LYS 16 CO 0.07 0.37 -0.00 0.39 -2.00 0.00 0.00 179.45 178.29 3hsb n GLU 17 N -3.38 1.33 -3.84 0.07 -0.58 -0.04 -4.95 120.64 109.25 3hsb n GLU 17 Ca 0.01 -0.48 -0.30 0.00 -0.42 0.00 0.00 57.16 55.97 3hsb n GLU 17 Cb 0.57 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.96 3hsb n GLU 17 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hsb n ASN 18 N -0.42 -4.55 -4.72 1.62 4.13 -0.46 -4.90 115.26 105.96 3hsb n ASN 18 Ca 0.21 -0.73 -0.42 0.00 1.68 0.00 0.00 54.58 55.33 3hsb n ASN 18 Cb 0.23 -3.66 -0.03 0.00 -1.54 0.00 0.00 39.78 34.79 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 -3.23 3.58 0.18 3.41 2.01 -0.48 -4.95 115.64 116.15 3hsb s THR 19 Ca 0.63 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 63.52 3hsb s THR 19 Cb -0.32 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 3hsb s THR 19 CO 0.77 0.13 1.34 -0.31 -0.69 0.00 0.00 174.62 175.86 3hsb s TYR 20 N 0.65 3.24 -0.01 4.92 1.51 -1.26 -4.52 117.35 121.88 3hsb s TYR 20 Ca 0.59 1.13 0.01 0.00 -1.01 0.00 0.00 57.07 57.79 3hsb s TYR 20 Cb -0.33 -3.64 0.00 0.00 -0.11 0.00 0.00 41.96 37.88 3hsb s TYR 20 CO 0.33 -2.06 -0.04 0.54 -1.11 0.00 0.00 175.55 173.20 3hsb s VAL 21 N 0.41 0.36 -0.06 0.71 0.11 -0.06 -0.55 120.40 121.32 3hsb s VAL 21 Ca 0.59 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 59.28 3hsb s VAL 21 Cb -0.37 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3hsb s VAL 21 CO 0.36 0.13 0.62 -0.89 -3.33 0.00 0.00 175.10 171.98 3hsb s THR 22 N 0.21 5.04 -0.31 5.04 2.01 -0.70 -1.14 115.64 125.78 3hsb s THR 22 Ca -0.02 1.27 -0.08 0.00 0.31 0.00 0.00 61.69 63.17 3hsb s THR 22 Cb -0.05 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.50 3hsb s THR 22 CO -0.00 0.32 0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 3hsb s VAL 23 N 0.45 4.32 -0.14 3.82 1.01 0.11 -0.82 120.40 129.14 3hsb s VAL 23 Ca 0.33 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 3hsb s VAL 23 Cb -0.17 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3hsb s VAL 23 CO 0.16 0.06 0.28 -0.36 0.00 0.00 0.00 175.10 175.24 3hsb s PHE 24 N 1.56 3.50 0.56 5.22 0.08 -0.30 -0.94 117.98 127.65 3hsb s PHE 24 Ca 0.04 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.70 3hsb s PHE 24 Cb -0.17 -2.29 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 3hsb s PHE 24 CO 0.05 0.33 0.79 -0.51 -0.10 0.00 0.00 175.22 175.77 3hsb s LEU 25 N 0.18 3.26 0.43 -0.37 1.43 -0.22 -0.42 118.68 122.98 3hsb s LEU 25 Ca 0.16 0.08 0.19 0.00 -1.03 0.00 0.00 54.13 53.54 3hsb s LEU 25 Cb -0.13 -2.94 1.13 0.00 0.03 0.00 0.00 46.19 44.28 3hsb s LEU 25 CO 0.04 -1.15 1.87 -0.07 0.23 0.00 0.00 176.35 177.27 3hsb h LEU 26 N 0.03 0.36 -1.01 1.79 3.38 -1.23 0.28 115.31 118.91 3hsb h LEU 26 Ca -0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hsb h LEU 26 Cb 1.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hsb h LEU 26 CO 0.54 0.14 0.00 -0.46 0.09 0.00 0.00 178.44 178.75 3hsb n ASN 27 N -4.48 1.46 0.00 -0.43 6.94 -1.26 -4.90 115.26 112.58 3hsb n ASN 27 Ca 0.19 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 3hsb n ASN 27 Cb 0.71 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3hsb n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hsb n GLY 28 N 0.87 2.70 3.77 4.83 0.00 0.98 -5.03 105.19 113.31 3hsb n GLY 28 Ca 0.09 0.00 -0.40 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 -2.99 2.61 -0.13 1.61 2.19 -1.26 -4.68 117.98 115.34 3hsb s PHE 29 Ca 0.00 1.32 0.02 0.00 0.33 0.00 0.00 56.93 58.60 3hsb s PHE 29 Cb 0.00 -3.82 -0.00 0.00 -1.31 0.00 0.00 43.02 37.89 3hsb s PHE 29 CO 0.00 -2.59 -0.18 -0.65 1.83 0.00 0.00 175.22 173.63 3hsb s GLN 30 N -2.35 3.19 0.05 10.12 -0.21 -1.26 -1.05 119.66 128.15 3hsb s GLN 30 Ca 0.59 -0.79 0.08 0.00 0.02 0.00 0.00 55.36 55.26 3hsb s GLN 30 Cb -0.41 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 3hsb s GLN 30 CO 0.53 0.14 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.14 3hsb s LEU 31 N 0.49 2.56 -0.03 2.90 1.43 -0.11 -4.96 118.68 120.96 3hsb s LEU 31 Ca -0.12 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3hsb s LEU 31 Cb -0.17 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3hsb s LEU 31 CO 0.05 0.25 -0.17 -0.60 0.23 0.00 0.00 176.35 176.11 3hsb s ARG 32 N -1.51 1.59 0.00 1.70 6.06 -1.26 0.03 118.95 125.56 3hsb s ARG 32 Ca 0.15 -0.59 0.00 0.00 -2.50 0.00 0.00 55.73 52.79 3hsb s ARG 32 Cb -0.10 -1.44 0.00 0.00 0.06 0.00 0.00 34.95 33.47 3hsb s ARG 32 CO 0.05 0.28 0.00 0.41 -2.50 0.00 0.00 175.30 173.54 3hsb n GLY 33 N 2.98 -0.60 3.28 8.12 0.00 -0.29 -4.48 105.19 114.20 3hsb n GLY 33 Ca -0.17 -0.67 -0.28 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 -0.85 1.69 -0.08 1.61 -0.21 -0.24 -0.88 119.66 120.69 3hsb s GLN 34 Ca 0.00 -0.94 -0.21 0.00 0.02 0.00 0.00 55.36 54.23 3hsb s GLN 34 Cb 0.00 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 3hsb s GLN 34 CO 0.00 0.46 0.59 0.08 -2.12 0.00 0.00 175.29 174.30 3hsb s VAL 35 N -0.70 5.10 -0.88 1.09 1.01 -1.26 0.49 120.40 125.25 3hsb s VAL 35 Ca 0.09 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.38 3hsb s VAL 35 Cb -0.09 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3hsb s VAL 35 CO 0.01 0.30 0.61 0.29 0.00 0.00 0.00 175.10 176.31 3hsb n LYS 36 N 3.64 2.35 0.00 2.72 4.76 0.13 -4.39 118.16 127.38 3hsb n LYS 36 Ca -0.04 -0.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 3hsb n LYS 36 Cb 0.51 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 0.98 0.76 3.58 0.72 0.00 -1.22 -4.98 105.19 105.03 3hsb n GLY 37 Ca 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.26 0.00 1.61 -0.12 -1.26 -0.37 117.98 115.57 3hsb s PHE 38 Ca 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 3hsb s PHE 38 Cb 0.00 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 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 -0.30 0.00 -0.24 1.98 5.68 -0.39 -4.99 116.55 118.29 3hsb n ASP 39 Ca -0.07 -0.80 0.14 0.00 -0.50 0.00 0.00 54.79 53.56 3hsb n ASP 39 Cb 0.61 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.03 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 0.54 0.00 -1.12 2.35 -2.04 -3.31 115.58 112.00 3hsb h ASN 40 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hsb h ASN 40 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3hsb h ASN 40 CO 0.00 0.26 -0.71 0.49 -1.65 0.00 0.00 177.43 175.82 3hsb n PHE 41 N -4.54 0.00 -4.03 1.19 3.01 -1.26 -4.95 117.46 106.89 3hsb n PHE 41 Ca 0.17 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.55 3hsb n PHE 41 Cb 0.54 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.99 0.15 -0.02 4.37 -4.23 -1.25 -0.17 115.64 112.51 3hsb s THR 42 Ca 0.01 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3hsb s THR 42 Cb 0.05 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.23 3hsb s THR 42 CO 0.30 -0.67 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.93 3hsb s VAL 43 N -3.95 0.72 -0.38 2.29 1.01 0.06 -1.26 120.40 118.90 3hsb s VAL 43 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3hsb s VAL 43 Cb 0.06 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.84 3hsb s VAL 43 CO -0.06 0.22 0.21 -0.22 0.00 0.00 0.00 175.10 175.25 3hsb s LEU 44 N 0.00 4.74 -0.15 3.92 2.96 0.50 -1.00 118.68 129.65 3hsb s LEU 44 Ca 0.00 -1.00 -0.07 0.00 -0.22 0.00 0.00 54.13 52.84 3hsb s LEU 44 Cb -0.06 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3hsb s LEU 44 CO -0.00 -0.39 0.09 -0.22 -1.32 0.00 0.00 176.35 174.51 3hsb s LEU 45 N 1.56 4.06 -0.23 -0.68 2.96 -0.43 0.19 118.68 126.10 3hsb s LEU 45 Ca 0.02 0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3hsb s LEU 45 Cb -0.19 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3hsb s LEU 45 CO 0.07 0.28 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.68 3hsb s GLU 46 N -0.28 3.50 -0.23 1.98 2.12 0.18 0.15 118.70 126.11 3hsb s GLU 46 Ca 0.10 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.88 3hsb s GLU 46 Cb -0.12 -3.12 0.04 0.00 0.26 0.00 0.00 34.13 31.19 3hsb s GLU 46 CO 0.01 -0.17 -0.13 -1.12 -0.54 0.00 0.00 175.26 173.31 3hsb s SER 47 N 1.47 3.98 -1.45 -1.70 0.01 -0.37 -1.07 113.70 114.57 3hsb s SER 47 Ca 0.05 -1.07 -0.09 0.00 1.31 0.00 0.00 55.95 56.15 3hsb s SER 47 Cb -0.15 -1.54 0.05 0.00 0.21 0.00 0.00 66.02 64.59 3hsb s SER 47 CO -0.00 -0.12 0.92 -1.84 0.41 0.00 0.00 173.24 172.61 3hsb n GLU 48 N 4.53 -5.58 -0.33 12.44 0.28 -1.26 -0.54 120.64 130.18 3hsb n GLU 48 Ca -0.17 0.63 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 3hsb n GLU 48 Cb 0.45 -5.44 0.00 0.00 1.43 0.00 0.00 31.44 27.89 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 -1.68 1.24 3.71 -1.84 0.00 -1.26 -5.00 105.19 100.36 3hsb n GLY 49 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.18 4.56 0.04 1.61 2.20 0.30 -5.05 119.74 123.22 3hsb s LYS 50 Ca 0.00 1.43 -0.30 0.00 -0.36 0.00 0.00 55.97 56.74 3hsb s LYS 50 Cb 0.00 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3hsb s LYS 50 CO 0.00 -0.05 0.99 -0.65 -0.36 0.00 0.00 175.35 175.28 3hsb s GLN 51 N 1.00 4.60 -0.13 4.03 -0.21 -1.26 -1.23 119.66 126.45 3hsb s GLN 51 Ca 0.52 1.45 0.00 0.00 0.02 0.00 0.00 55.36 57.35 3hsb s GLN 51 Cb -0.21 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.40 3hsb s GLN 51 CO 0.28 0.03 -0.11 -0.65 -2.12 0.00 0.00 175.29 172.72 3hsb s GLN 52 N 0.66 1.94 -0.45 2.91 -0.21 0.12 -4.99 119.66 119.64 3hsb s GLN 52 Ca 0.51 -0.42 -0.25 0.00 0.02 0.00 0.00 55.36 55.22 3hsb s GLN 52 Cb -0.22 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 31.95 3hsb s GLN 52 CO 0.29 -0.25 0.88 -1.17 -2.12 0.00 0.00 175.29 172.93 3hsb s LEU 53 N 1.57 4.07 -0.14 2.90 2.96 -1.26 -1.32 118.68 127.46 3hsb s LEU 53 Ca 0.05 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3hsb s LEU 53 Cb -0.13 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 3hsb s LEU 53 CO -0.09 -0.99 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.27 3hsb s ILE 54 N 3.59 3.83 0.04 6.68 1.01 -0.17 -4.97 121.20 131.20 3hsb s ILE 54 Ca 0.35 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 3hsb s ILE 54 Cb -0.11 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.64 3hsb s ILE 54 CO 0.24 0.51 1.29 -0.31 0.00 0.00 0.00 174.94 176.67 3hsb s TYR 55 N 0.23 3.21 0.37 3.97 2.02 -1.26 -0.76 117.35 125.13 3hsb s TYR 55 Ca -0.03 1.10 0.14 0.00 -0.37 0.00 0.00 57.07 57.90 3hsb s TYR 55 Cb -0.14 -3.53 0.97 0.00 -0.40 0.00 0.00 41.96 38.86 3hsb s TYR 55 CO 0.03 -1.80 1.81 0.87 -1.57 0.00 0.00 175.55 174.89 3hsb h LYS 56 N 7.18 0.51 -0.00 -0.62 1.57 -0.89 0.11 116.57 124.43 3hsb h LYS 56 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3hsb h LYS 56 Cb 1.20 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3hsb h LYS 56 CO 0.86 0.34 0.00 1.12 -0.57 0.00 0.00 179.45 181.20 3hsb h HIS 57 N 0.53 0.00 -0.01 -1.35 2.07 -1.93 0.61 115.15 115.08 3hsb h HIS 57 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 3hsb h HIS 57 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3hsb h HIS 57 CO -0.00 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 174.58 3hsb n ALA 58 N -2.19 3.12 -2.59 6.11 0.00 0.36 -4.89 120.51 120.44 3hsb n ALA 58 Ca -0.03 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 3hsb n ALA 58 Cb 0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.55 5.13 -0.19 0.00 1.01 0.20 -0.78 121.20 124.03 3hsb s ILE 59 Ca 0.23 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 3hsb s ILE 59 Cb 0.19 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 3hsb s ILE 59 CO 0.54 0.57 -0.03 -0.24 0.00 0.00 0.00 174.94 175.77 3hsb n SER 60 N 2.02 1.85 -3.72 3.58 2.88 0.44 -4.67 113.62 115.99 3hsb n SER 60 Ca -0.15 0.49 -0.13 0.00 -1.33 0.00 0.00 58.87 57.76 3hsb n SER 60 Cb 0.53 -0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 62.99 3hsb n SER 60 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3hsb s THR 61 N -2.37 0.00 -0.15 2.46 2.01 -0.98 -5.00 115.64 111.61 3hsb s THR 61 Ca -0.24 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 3hsb s THR 61 Cb 0.05 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3hsb s THR 61 CO 0.42 -0.00 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.94 3hsb s PHE 62 N 0.23 2.98 -0.29 4.92 0.40 -1.26 -1.16 117.98 123.80 3hsb s PHE 62 Ca -0.00 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 3hsb s PHE 62 Cb -0.03 -1.93 0.08 0.00 0.51 0.00 0.00 43.02 41.65 3hsb s PHE 62 CO 0.01 -0.06 0.01 0.00 0.70 0.00 0.00 175.22 175.87 3hsb s ALA 63 N 0.34 2.28 0.50 5.36 0.00 0.00 -5.00 121.76 125.24 3hsb s ALA 63 Ca -0.05 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 49.83 3hsb s ALA 63 Cb -0.14 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.22 3hsb s ALA 63 CO 0.04 -1.46 1.03 -1.25 0.00 0.00 0.00 175.76 174.11 3hsb s PRO 64 N 1.23 3.77 0.12 0.00 0.04 -1.26 -1.72 135.00 137.17 3hsb s PRO 64 Ca 0.03 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 3hsb s PRO 64 Cb -0.19 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 3hsb s PRO 64 CO -0.10 -0.45 1.66 0.37 0.04 0.00 0.00 177.00 178.52 3hsb h GLN 65 N 1.32 -0.29 -6.49 4.56 5.75 -1.19 -3.45 115.11 115.33 3hsb h GLN 65 Ca -0.49 0.02 -0.67 0.00 -0.15 0.00 0.00 58.65 57.36 3hsb h GLN 65 Cb 1.21 0.07 -0.17 0.00 1.07 0.00 0.00 27.48 29.66 3hsb h GLN 65 CO 0.59 -0.19 -0.74 0.15 -2.65 0.00 0.00 178.83 175.99 3hsb s LYS 66 N -6.12 2.23 0.67 1.69 -0.14 -1.26 -5.11 119.74 111.70 3hsb s LYS 66 Ca -0.15 -0.94 -0.16 0.00 -1.36 0.00 0.00 55.97 53.36 3hsb s LYS 66 Cb 0.09 -2.34 0.01 0.00 -1.68 0.00 0.00 37.83 33.90 3hsb s LYS 66 CO 0.66 0.54 1.19 -0.80 -0.76 0.00 0.00 175.35 176.18 3hsb s ASN 67 N -1.90 4.68 -0.16 2.83 0.01 -1.26 -5.00 114.94 114.14 3hsb s ASN 67 Ca 0.19 2.32 -0.04 0.00 -0.71 0.00 0.00 52.86 54.62 3hsb s ASN 67 Cb -0.11 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 3hsb s ASN 67 CO 0.11 -1.93 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.04 3hsb s VAL 68 N -1.90 3.93 -0.02 1.60 1.01 -1.26 -5.09 120.40 118.67 3hsb s VAL 68 Ca 0.74 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 3hsb s VAL 68 Cb -0.28 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3hsb s VAL 68 CO 0.40 0.49 0.78 -1.10 0.00 0.00 0.00 175.10 175.68 3hsb s GLN 69 N 0.35 4.48 0.24 2.72 -0.21 -1.26 -5.03 119.66 120.96 3hsb s GLN 69 Ca -0.04 1.05 0.01 0.00 0.02 0.00 0.00 55.36 56.40 3hsb s GLN 69 Cb -0.14 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 3hsb s GLN 69 CO 0.03 0.10 0.14 -0.51 -2.12 0.00 0.00 175.29 172.93 3hsb s LEU 70 N 0.59 1.41 0.00 2.90 1.43 -1.26 -5.00 118.68 118.76 3hsb s LEU 70 Ca 0.41 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 3hsb s LEU 70 Cb -0.19 0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.30 3hsb s LEU 70 CO 0.22 -0.84 0.34 -0.62 0.23 0.00 0.00 176.35 175.68