#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 1.16 -0.04 -1.44 2.04 -2.00 -2.81 117.51 114.41 3hsb h ILE 6 Ca 0.00 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hsb h ILE 6 Cb 0.00 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3hsb h ILE 6 CO 0.00 0.15 -0.20 -0.61 0.00 0.00 0.00 178.15 177.49 3hsb h GLN 7 N 0.79 -0.29 -0.14 2.37 4.15 -2.03 -1.05 115.11 118.91 3hsb h GLN 7 Ca 0.21 0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 3hsb h GLN 7 Cb -0.07 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3hsb h GLN 7 CO -0.04 -0.19 -0.48 -0.44 -1.93 0.00 0.00 178.83 175.74 3hsb h ASP 8 N -0.30 0.38 -0.17 -0.69 3.45 -1.98 -1.60 116.42 115.50 3hsb h ASP 8 Ca 0.07 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 3hsb h ASP 8 Cb 0.40 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3hsb h ASP 8 CO -0.22 0.81 -0.01 1.56 -1.57 0.00 0.00 179.24 179.81 3hsb h GLN 9 N 0.28 0.31 -0.09 3.56 4.20 -1.36 -1.22 115.11 120.79 3hsb h GLN 9 Ca 0.01 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.66 3hsb h GLN 9 Cb 0.96 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.66 3hsb h GLN 9 CO 0.08 0.54 -0.23 0.35 -0.67 0.00 0.00 178.83 178.90 3hsb h PHE 10 N 0.05 -0.60 -0.31 2.96 3.57 -1.04 0.64 116.94 122.21 3hsb h PHE 10 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3hsb h PHE 10 Cb 0.40 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3hsb h PHE 10 CO 0.04 -0.31 0.08 -0.07 -2.23 0.00 0.00 178.31 175.82 3hsb h LEU 11 N -0.31 0.47 -0.40 0.59 3.38 -1.29 -1.19 115.31 116.57 3hsb h LEU 11 Ca 0.09 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hsb h LEU 11 Cb 0.44 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3hsb h LEU 11 CO -0.27 0.58 -0.08 -1.13 0.09 0.00 0.00 178.44 177.63 3hsb h ASN 12 N 0.34 -0.34 -0.35 -0.43 -1.24 -1.11 -1.59 115.58 110.86 3hsb h ASN 12 Ca 0.10 0.12 0.04 0.00 0.71 0.00 0.00 56.30 57.26 3hsb h ASN 12 Cb 0.29 0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.53 3hsb h ASN 12 CO 0.00 -0.12 0.12 1.56 -1.29 0.00 0.00 177.43 177.70 3hsb h GLN 13 N 0.02 0.26 0.00 6.67 1.08 -0.75 0.55 115.11 122.94 3hsb h GLN 13 Ca 0.19 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.32 3hsb h GLN 13 Cb 0.29 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3hsb h GLN 13 CO -0.40 0.17 -0.27 -0.84 -0.95 0.00 0.00 178.83 176.55 3hsb h ILE 14 N 0.27 0.88 0.31 2.54 3.07 -1.12 -2.82 117.51 120.64 3hsb h ILE 14 Ca 0.16 -1.04 -0.02 0.00 1.55 0.00 0.00 64.86 65.51 3hsb h ILE 14 Cb 0.13 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3hsb h ILE 14 CO -0.16 0.26 -0.15 -0.09 -1.05 0.00 0.00 178.15 176.96 3hsb h ARG 15 N 0.00 -0.40 0.00 0.16 1.12 -0.91 -2.07 114.38 112.28 3hsb h ARG 15 Ca -0.00 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 3hsb h ARG 15 Cb 0.60 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 3hsb h ARG 15 CO 0.03 -0.27 0.06 1.63 -3.11 0.00 0.00 179.97 178.32 3hsb n LYS 16 N -4.42 0.00 0.00 0.20 4.01 0.15 -2.22 118.16 115.88 3hsb n LYS 16 Ca -0.05 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 3hsb n LYS 16 Cb 0.16 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 3hsb n LYS 16 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3hsb n GLU 17 N -1.26 -0.24 -2.57 1.97 -0.58 -1.07 -5.01 120.64 111.89 3hsb n GLU 17 Ca 0.00 -0.46 -0.15 0.00 -0.42 0.00 0.00 57.16 56.13 3hsb n GLU 17 Cb 0.06 -0.83 -0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.05 -4.13 -4.74 1.62 3.02 -0.94 -4.93 115.26 105.10 3hsb n ASN 18 Ca 0.00 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 3hsb n ASN 18 Cb 0.12 -3.48 -0.00 0.00 -0.61 0.00 0.00 39.78 35.81 3hsb n ASN 18 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3hsb n THR 19 N -3.55 1.90 -2.74 3.41 -1.04 -0.82 -4.95 114.28 106.50 3hsb n THR 19 Ca -0.14 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.05 61.01 3hsb n THR 19 Cb 0.61 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 67.24 3hsb n THR 19 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3hsb s TYR 20 N -1.00 3.88 0.00 -1.42 1.51 -1.26 -4.47 117.35 114.59 3hsb s TYR 20 Ca 0.55 1.87 0.01 0.00 -1.01 0.00 0.00 57.07 58.48 3hsb s TYR 20 Cb -0.51 -2.98 -0.00 0.00 -0.11 0.00 0.00 41.96 38.35 3hsb s TYR 20 CO 0.62 0.32 -0.02 0.54 -1.11 0.00 0.00 175.55 175.90 3hsb s VAL 21 N -1.30 0.17 -0.18 0.71 0.11 -0.20 -0.31 120.40 119.39 3hsb s VAL 21 Ca 0.44 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.18 3hsb s VAL 21 Cb -0.24 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3hsb s VAL 21 CO 0.30 -0.01 0.24 -0.89 -3.33 0.00 0.00 175.10 171.41 3hsb s THR 22 N -0.20 5.34 -0.32 5.04 2.01 -0.70 -1.23 115.64 125.58 3hsb s THR 22 Ca -0.01 0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 3hsb s THR 22 Cb -0.02 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.95 3hsb s THR 22 CO -0.00 0.39 0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 3hsb s VAL 23 N 0.54 3.43 0.08 3.82 1.01 0.92 -0.81 120.40 129.39 3hsb s VAL 23 Ca 0.13 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 3hsb s VAL 23 Cb -0.12 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 3hsb s VAL 23 CO 0.02 -0.11 0.56 -0.36 0.00 0.00 0.00 175.10 175.21 3hsb s PHE 24 N 1.35 3.77 0.41 5.22 0.08 -0.16 -1.44 117.98 127.20 3hsb s PHE 24 Ca -0.03 1.22 0.08 0.00 0.12 0.00 0.00 56.93 58.32 3hsb s PHE 24 Cb -0.19 -2.47 -0.00 0.00 -0.57 0.00 0.00 43.02 39.79 3hsb s PHE 24 CO 0.01 0.56 0.50 -0.51 -0.10 0.00 0.00 175.22 175.68 3hsb s LEU 25 N -1.25 3.62 0.60 -0.37 1.43 -0.06 -0.56 118.68 122.09 3hsb s LEU 25 Ca 0.30 -0.48 0.38 0.00 -1.03 0.00 0.00 54.13 53.30 3hsb s LEU 25 Cb -0.19 -2.50 1.87 0.00 0.03 0.00 0.00 46.19 45.40 3hsb s LEU 25 CO 0.19 -0.68 2.17 -0.07 0.23 0.00 0.00 176.35 178.18 3hsb h LEU 26 N 0.79 0.00 -2.52 1.79 3.38 -1.17 -0.37 115.31 117.21 3hsb h LEU 26 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3hsb h LEU 26 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3hsb h LEU 26 CO 0.49 0.01 0.00 -0.46 0.09 0.00 0.00 178.44 178.57 3hsb n ASN 27 N -3.12 3.70 0.00 -0.43 0.23 -1.26 -4.96 115.26 109.41 3hsb n ASN 27 Ca -0.01 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 3hsb n ASN 27 Cb 0.19 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 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 1.58 3.13 3.61 4.83 0.00 -0.15 -5.04 105.19 113.15 3hsb n GLY 28 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3hsb n GLY 28 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hsb n PHE 29 N -1.40 0.48 -4.14 1.61 0.99 -1.26 -4.62 117.46 109.12 3hsb n PHE 29 Ca 0.00 0.37 -0.17 0.00 -0.00 0.00 0.00 57.45 57.66 3hsb n PHE 29 Cb 0.00 -2.03 -0.12 0.00 -1.00 0.00 0.00 39.48 36.33 3hsb n PHE 29 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3hsb s GLN 30 N -3.67 0.72 0.04 -1.08 0.74 -1.26 -0.88 119.66 114.27 3hsb s GLN 30 Ca 0.70 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 55.26 3hsb s GLN 30 Cb -0.30 -0.65 -0.02 0.00 1.10 0.00 0.00 33.01 33.14 3hsb s GLN 30 CO 0.54 0.14 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.84 3hsb s LEU 31 N -1.64 2.25 0.04 3.68 1.02 -0.52 -4.99 118.68 118.51 3hsb s LEU 31 Ca -0.04 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.62 3hsb s LEU 31 Cb -0.10 -0.15 -0.02 0.00 0.02 0.00 0.00 46.19 45.94 3hsb s LEU 31 CO 0.02 -0.20 -0.14 -0.60 0.02 0.00 0.00 176.35 175.44 3hsb s ARG 32 N -1.52 0.96 0.00 1.70 3.52 -1.26 -0.06 118.95 122.29 3hsb s ARG 32 Ca -0.10 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 3hsb s ARG 32 Cb -0.10 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.32 3hsb s ARG 32 CO 0.00 0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 3hsb n GLY 33 N 1.87 -0.51 3.37 8.12 0.00 -0.36 -4.44 105.19 113.24 3hsb n GLY 33 Ca -0.18 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.55 1.68 -0.28 1.61 -0.21 -0.37 -1.03 119.66 119.50 3hsb s GLN 34 Ca 0.00 -1.19 -0.27 0.00 0.02 0.00 0.00 55.36 53.92 3hsb s GLN 34 Cb 0.00 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.05 3hsb s GLN 34 CO 0.00 0.49 0.97 0.08 -2.12 0.00 0.00 175.29 174.71 3hsb s VAL 35 N -0.90 4.66 -0.76 1.09 1.01 -1.26 0.87 120.40 125.11 3hsb s VAL 35 Ca 0.13 1.66 0.24 0.00 0.00 0.00 0.00 61.98 64.01 3hsb s VAL 35 Cb -0.10 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3hsb s VAL 35 CO 0.04 -0.30 1.24 0.29 0.00 0.00 0.00 175.10 176.36 3hsb n LYS 36 N 6.47 0.19 0.00 2.72 4.76 0.84 -4.51 118.16 128.63 3hsb n LYS 36 Ca 0.09 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3hsb n LYS 36 Cb 0.47 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 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 1.40 2.00 3.40 0.72 0.00 -1.16 -4.97 105.19 106.58 3hsb n GLY 37 Ca 0.04 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.43 0.00 1.61 -0.12 -1.26 0.23 117.98 116.01 3hsb s PHE 38 Ca 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 56.93 57.32 3hsb s PHE 38 Cb 0.00 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3hsb s PHE 38 CO 0.00 -0.67 0.00 -0.40 -0.05 0.00 0.00 175.22 174.10 3hsb n ASP 39 N 0.27 1.15 0.02 1.98 5.68 -0.65 -4.99 116.55 120.02 3hsb n ASP 39 Ca -0.18 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.14 3hsb n ASP 39 Cb 0.61 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.99 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 0.44 0.00 -1.12 -0.26 -2.04 -3.32 115.58 109.28 3hsb h ASN 40 Ca 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3hsb h ASN 40 Cb 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 3hsb h ASN 40 CO 0.00 0.38 -1.23 0.49 -1.06 0.00 0.00 177.43 176.00 3hsb n PHE 41 N -4.43 0.00 -4.06 1.19 3.01 -1.26 -4.96 117.46 106.96 3hsb n PHE 41 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 3hsb n PHE 41 Cb 0.11 -0.19 -0.09 0.00 -0.01 0.00 0.00 39.48 39.30 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 -2.69 0.16 -0.08 4.37 -4.23 -1.25 -0.77 115.64 111.15 3hsb s THR 42 Ca -0.01 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 58.83 3hsb s THR 42 Cb 0.10 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.29 3hsb s THR 42 CO 0.57 -0.75 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.07 3hsb s VAL 43 N -3.95 1.36 -0.38 2.29 1.01 -0.40 -1.63 120.40 118.70 3hsb s VAL 43 Ca 0.12 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 3hsb s VAL 43 Cb 0.07 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3hsb s VAL 43 CO -0.06 0.41 0.48 -0.22 0.00 0.00 0.00 175.10 175.71 3hsb s LEU 44 N 0.62 4.52 0.05 3.92 2.96 0.14 -0.73 118.68 130.16 3hsb s LEU 44 Ca -0.15 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3hsb s LEU 44 Cb -0.16 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3hsb s LEU 44 CO 0.05 -0.52 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.33 3hsb s LEU 45 N 2.32 3.47 -0.17 -0.68 2.96 -0.00 -0.11 118.68 126.46 3hsb s LEU 45 Ca 0.16 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 3hsb s LEU 45 Cb -0.16 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.41 3hsb s LEU 45 CO 0.14 0.22 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.54 3hsb s GLU 46 N -2.00 3.18 -0.20 1.98 2.12 0.25 -0.04 118.70 124.00 3hsb s GLU 46 Ca 0.23 -0.75 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 3hsb s GLU 46 Cb -0.12 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.60 3hsb s GLU 46 CO 0.15 -0.09 -0.11 -1.12 -0.54 0.00 0.00 175.26 173.55 3hsb s SER 47 N 1.07 3.82 -1.10 -1.70 0.01 -0.33 -1.24 113.70 114.23 3hsb s SER 47 Ca -0.00 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.50 3hsb s SER 47 Cb -0.14 -1.63 0.04 0.00 0.21 0.00 0.00 66.02 64.50 3hsb s SER 47 CO -0.04 0.00 0.64 -1.84 0.41 0.00 0.00 173.24 172.41 3hsb n GLU 48 N 4.63 -0.49 0.00 12.44 0.28 -1.26 -0.88 120.64 135.36 3hsb n GLU 48 Ca -0.19 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 3hsb n GLU 48 Cb 0.51 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.09 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 -1.98 3.04 3.47 -1.84 0.00 -1.26 -5.03 105.19 101.59 3hsb n GLY 49 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.10 3.62 0.34 1.61 -2.85 -0.06 -5.08 119.74 117.21 3hsb s LYS 50 Ca 0.00 -0.55 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 3hsb s LYS 50 Cb 0.00 -2.87 -0.11 0.00 -2.06 0.00 0.00 37.83 32.79 3hsb s LYS 50 CO 0.00 0.22 1.41 -0.65 0.10 0.00 0.00 175.35 176.43 3hsb s GLN 51 N 0.40 4.23 -0.08 1.78 -0.21 -1.26 -1.19 119.66 123.33 3hsb s GLN 51 Ca -0.05 2.39 -0.00 0.00 0.02 0.00 0.00 55.36 57.72 3hsb s GLN 51 Cb -0.14 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 30.86 3hsb s GLN 51 CO 0.03 -0.38 -0.04 -0.65 -2.12 0.00 0.00 175.29 172.13 3hsb s GLN 52 N -1.66 1.08 -0.27 2.91 -0.21 0.95 -4.93 119.66 117.54 3hsb s GLN 52 Ca 0.53 -0.10 -0.21 0.00 0.02 0.00 0.00 55.36 55.59 3hsb s GLN 52 Cb -0.43 -1.23 -0.01 0.00 1.00 0.00 0.00 33.01 32.33 3hsb s GLN 52 CO 0.56 -0.24 0.67 -1.17 -2.12 0.00 0.00 175.29 172.99 3hsb s LEU 53 N 1.63 4.08 -0.14 2.90 2.96 -1.26 -0.82 118.68 128.03 3hsb s LEU 53 Ca 0.01 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3hsb s LEU 53 Cb -0.13 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 3hsb s LEU 53 CO -0.05 -0.43 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.85 3hsb s ILE 54 N 2.61 3.62 0.12 6.68 1.01 0.10 -4.97 121.20 130.38 3hsb s ILE 54 Ca 0.28 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 3hsb s ILE 54 Cb -0.15 -2.56 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 3hsb s ILE 54 CO 0.09 0.51 1.17 -0.31 0.00 0.00 0.00 174.94 176.41 3hsb s TYR 55 N 0.24 3.47 0.45 3.97 2.02 -1.26 -1.28 117.35 124.97 3hsb s TYR 55 Ca -0.05 1.41 0.14 0.00 -0.37 0.00 0.00 57.07 58.20 3hsb s TYR 55 Cb -0.14 -3.39 1.07 0.00 -0.40 0.00 0.00 41.96 39.10 3hsb s TYR 55 CO 0.04 -1.09 2.03 0.87 -1.57 0.00 0.00 175.55 175.82 3hsb h LYS 56 N 5.97 0.32 0.00 -0.62 1.57 -1.27 -0.43 116.57 122.11 3hsb h LYS 56 Ca -0.43 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3hsb h LYS 56 Cb 1.21 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3hsb h LYS 56 CO 0.77 0.21 -0.06 1.12 -0.57 0.00 0.00 179.45 180.92 3hsb h HIS 57 N 0.33 0.00 -0.01 -1.35 2.07 -1.92 -0.16 115.15 114.12 3hsb h HIS 57 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 3hsb h HIS 57 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 3hsb h HIS 57 CO -0.00 0.06 -0.21 0.00 -3.07 0.00 0.00 177.93 174.71 3hsb n ALA 58 N -2.32 2.98 -2.55 6.11 0.00 -0.18 -4.90 120.51 119.66 3hsb n ALA 58 Ca -0.02 -0.37 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 3hsb n ALA 58 Cb 0.16 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.48 5.01 -0.16 0.00 1.01 -0.07 -0.66 121.20 123.84 3hsb s ILE 59 Ca 0.26 1.07 -0.19 0.00 0.00 0.00 0.00 60.65 61.80 3hsb s ILE 59 Cb 0.19 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.66 3hsb s ILE 59 CO 0.50 0.43 0.27 -1.28 0.00 0.00 0.00 174.94 174.86 3hsb h SER 60 N 5.73 0.00 -3.61 3.58 0.87 -1.03 -3.43 113.55 115.66 3hsb h SER 60 Ca -0.45 -0.49 -0.08 0.00 -1.23 0.00 0.00 61.79 59.54 3hsb h SER 60 Cb 1.20 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.92 3hsb h SER 60 CO 0.69 1.10 -0.12 -0.89 -0.53 0.00 0.00 176.83 177.08 3hsb s THR 61 N -2.20 -0.01 -0.23 2.23 2.01 -1.08 -5.00 115.64 111.36 3hsb s THR 61 Ca -0.20 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 3hsb s THR 61 Cb 0.02 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 3hsb s THR 61 CO 0.48 0.01 0.08 -0.36 -0.69 0.00 0.00 174.62 174.14 3hsb s PHE 62 N 0.77 3.14 -0.42 4.92 0.40 -1.26 -0.99 117.98 124.55 3hsb s PHE 62 Ca -0.04 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.06 3hsb s PHE 62 Cb -0.05 -2.21 0.11 0.00 0.51 0.00 0.00 43.02 41.38 3hsb s PHE 62 CO -0.06 -0.19 0.20 0.00 0.70 0.00 0.00 175.22 175.87 3hsb s ALA 63 N 1.29 3.15 0.49 5.36 0.00 0.01 -4.98 121.76 127.07 3hsb s ALA 63 Ca 0.05 -2.61 -0.19 0.00 0.00 0.00 0.00 51.96 49.21 3hsb s ALA 63 Cb -0.15 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 3hsb s ALA 63 CO 0.04 -1.81 1.01 -1.25 0.00 0.00 0.00 175.76 173.75 3hsb s PRO 64 N 0.98 3.86 0.08 0.00 0.04 -1.26 -1.73 135.00 136.96 3hsb s PRO 64 Ca 0.10 1.24 -0.34 0.00 0.04 0.00 0.00 61.00 62.04 3hsb s PRO 64 Cb -0.22 -2.11 -0.17 0.00 0.04 0.00 0.00 34.50 32.04 3hsb s PRO 64 CO -0.05 -0.36 1.53 0.37 0.04 0.00 0.00 177.00 178.52 3hsb h GLN 65 N 1.44 -0.97 -5.88 4.56 4.15 -1.03 -3.44 115.11 113.94 3hsb h GLN 65 Ca -0.49 0.07 -0.64 0.00 0.77 0.00 0.00 58.65 58.36 3hsb h GLN 65 Cb 1.21 0.22 -0.06 0.00 0.21 0.00 0.00 27.48 29.06 3hsb h GLN 65 CO 0.60 -0.65 -0.52 0.15 -1.93 0.00 0.00 178.83 176.48 3hsb s LYS 66 N -5.69 3.34 0.36 1.69 -0.14 -1.26 -5.08 119.74 112.95 3hsb s LYS 66 Ca -0.17 -0.39 -0.24 0.00 -1.36 0.00 0.00 55.97 53.81 3hsb s LYS 66 Cb 0.04 -3.03 -0.10 0.00 -1.68 0.00 0.00 37.83 33.06 3hsb s LYS 66 CO 0.56 0.66 0.95 -0.80 -0.76 0.00 0.00 175.35 175.96 3hsb s ASN 67 N -1.99 7.18 0.21 2.83 0.01 -1.26 -5.02 114.94 116.91 3hsb s ASN 67 Ca 0.27 1.80 -0.09 0.00 -0.71 0.00 0.00 52.86 54.13 3hsb s ASN 67 Cb -0.13 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.90 3hsb s ASN 67 CO 0.19 -0.18 0.52 -0.69 -1.51 0.00 0.00 177.10 175.43 3hsb s VAL 68 N -1.80 4.96 -0.14 1.60 1.01 -1.26 -5.09 120.40 119.69 3hsb s VAL 68 Ca 0.54 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.79 3hsb s VAL 68 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3hsb s VAL 68 CO 0.20 -0.04 0.36 -1.10 0.00 0.00 0.00 175.10 174.53 3hsb s GLN 69 N -2.75 4.26 0.03 2.72 -0.21 -1.26 -5.07 119.66 117.38 3hsb s GLN 69 Ca 0.46 0.23 -0.13 0.00 0.02 0.00 0.00 55.36 55.94 3hsb s GLN 69 Cb -0.11 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.49 3hsb s GLN 69 CO 0.21 0.24 0.27 -0.51 -2.12 0.00 0.00 175.29 173.39 3hsb s LEU 70 N 0.43 1.02 0.00 2.90 1.43 -1.26 -4.93 118.68 118.27 3hsb s LEU 70 Ca 0.20 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3hsb s LEU 70 Cb -0.14 1.21 0.00 0.00 0.03 0.00 0.00 46.19 47.29 3hsb s LEU 70 CO 0.07 -0.55 0.43 -1.84 0.23 0.00 0.00 176.35 174.68