#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsb s GLN 2 N 0.00 1.48 -0.09 6.28 -0.21 -1.26 -4.39 119.66 121.47 1hsb s GLN 2 Ca 0.00 -1.18 -0.06 0.00 0.02 0.00 0.00 55.36 54.14 1hsb s GLN 2 Cb 0.00 -1.78 0.04 0.00 1.00 0.00 0.00 33.01 32.26 1hsb s GLN 2 CO 0.00 0.44 0.23 1.03 -2.12 0.00 0.00 175.29 174.87 1hsb s ARG 3 N -1.64 0.22 0.31 2.91 0.52 -0.15 -4.88 118.95 116.24 1hsb s ARG 3 Ca 0.11 0.43 -0.27 0.00 -0.52 0.00 0.00 55.73 55.48 1hsb s ARG 3 Cb -0.10 -0.03 -0.10 0.00 0.52 0.00 0.00 34.95 35.25 1hsb s ARG 3 CO 0.04 -0.11 0.98 -0.08 0.02 0.00 0.00 175.30 176.14 1hsb s THR 4 N 0.81 4.03 0.27 0.02 -1.32 -1.26 -1.52 115.64 116.67 1hsb s THR 4 Ca -0.06 1.77 -0.30 0.00 -1.21 0.00 0.00 61.69 61.90 1hsb s THR 4 Cb -0.07 -4.02 -0.10 0.00 -1.51 0.00 0.00 72.50 66.80 1hsb s THR 4 CO -0.05 0.22 1.37 -2.16 -2.21 0.00 0.00 174.62 171.79 1hsb s PRO 5 N -1.88 4.31 0.36 7.08 0.04 -1.26 -4.20 135.00 139.45 1hsb s PRO 5 Ca 0.49 2.23 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 1hsb s PRO 5 Cb -0.22 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 1hsb s PRO 5 CO 0.28 -0.32 0.94 0.15 0.04 0.00 0.00 177.00 178.09 1hsb s LYS 6 N -0.81 4.43 -0.06 4.56 1.02 0.10 -4.91 119.74 124.07 1hsb s LYS 6 Ca 0.55 1.22 0.01 0.00 0.02 0.00 0.00 55.97 57.77 1hsb s LYS 6 Cb -0.40 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1hsb s LYS 6 CO 0.46 0.16 -0.06 0.42 -0.92 0.00 0.00 175.35 175.41 1hsb s ILE 7 N -1.84 0.67 -0.09 2.17 1.01 -1.26 -2.18 121.20 119.68 1hsb s ILE 7 Ca 0.55 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.06 1hsb s ILE 7 Cb -0.15 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1hsb s ILE 7 CO 0.19 0.27 -0.17 -1.10 0.00 0.00 0.00 174.94 174.13 1hsb s GLN 8 N 1.12 2.35 -0.13 2.79 -0.21 -0.71 -5.00 119.66 119.86 1hsb s GLN 8 Ca -0.08 -0.63 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 1hsb s GLN 8 Cb -0.14 -1.88 -0.02 0.00 1.00 0.00 0.00 33.01 31.98 1hsb s GLN 8 CO -0.01 0.05 -0.11 0.08 -2.12 0.00 0.00 175.29 173.19 1hsb s VAL 9 N 0.64 3.27 -0.03 1.09 1.01 -1.26 -0.95 120.40 124.17 1hsb s VAL 9 Ca -0.14 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1hsb s VAL 9 Cb -0.16 -2.39 0.11 0.00 0.00 0.00 0.00 36.38 33.93 1hsb s VAL 9 CO 0.04 0.52 0.91 -0.72 0.00 0.00 0.00 175.10 175.85 1hsb s TYR 10 N 0.32 -0.34 0.27 5.22 1.13 -0.53 -4.59 117.35 118.83 1hsb s TYR 10 Ca -0.09 0.25 -0.10 0.00 -1.41 0.00 0.00 57.07 55.73 1hsb s TYR 10 Cb -0.15 0.53 -0.07 0.00 -1.10 0.00 0.00 41.96 41.16 1hsb s TYR 10 CO 0.05 -0.51 0.60 -1.54 -2.51 0.00 0.00 175.55 171.65 1hsb s SER 11 N -2.32 6.62 0.12 -0.18 1.04 -1.26 -0.57 113.70 117.14 1hsb s SER 11 Ca 0.04 0.98 -0.18 0.00 0.48 0.00 0.00 55.95 57.27 1hsb s SER 11 Cb -0.01 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1hsb s SER 11 CO -0.08 -0.14 1.70 -0.09 0.98 0.00 0.00 173.24 175.61 1hsb h ARG 12 N 2.25 0.40 -6.19 4.02 2.43 -1.38 -3.46 114.38 112.45 1hsb h ARG 12 Ca -0.47 -0.05 -0.50 0.00 -0.81 0.00 0.00 59.98 58.14 1hsb h ARG 12 Cb 1.17 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 1hsb h ARG 12 CO 0.68 0.37 -0.48 -1.01 -1.51 0.00 0.00 179.97 178.01 1hsb s HIS 13 N -5.78 2.94 -0.15 2.20 3.76 -1.26 -5.03 115.29 111.97 1hsb s HIS 13 Ca -0.13 -0.25 -0.41 0.00 -0.15 0.00 0.00 55.06 54.12 1hsb s HIS 13 Cb 0.09 -1.65 -0.19 0.00 1.11 0.00 0.00 32.58 31.94 1hsb s HIS 13 CO 0.72 0.31 1.37 -2.30 -0.85 0.00 0.00 174.74 173.98 1hsb n PRO 14 N -1.29 0.43 -2.79 8.40 -0.02 -1.26 -4.90 135.00 133.57 1hsb n PRO 14 Ca -0.04 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 1hsb n PRO 14 Cb 0.59 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 1hsb n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hsb s ALA 15 N 1.40 3.24 -0.06 3.55 0.00 -1.26 -5.03 121.76 123.60 1hsb s ALA 15 Ca 0.94 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1hsb s ALA 15 Cb -1.23 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 18.69 1hsb s ALA 15 CO 0.62 -0.09 0.00 -1.21 0.00 0.00 0.00 175.76 175.08 1hsb s GLU 16 N 0.43 0.54 0.38 0.00 2.02 -1.26 -5.09 118.70 115.71 1hsb s GLU 16 Ca 0.47 0.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.30 1hsb s GLU 16 Cb -0.22 -0.88 -0.11 0.00 0.10 0.00 0.00 34.13 33.02 1hsb s GLU 16 CO 0.27 -0.27 1.31 0.09 0.02 0.00 0.00 175.26 176.67 1hsb n ASN 17 N 4.99 2.80 0.00 -0.19 3.02 -1.26 -1.03 115.26 123.58 1hsb n ASN 17 Ca -0.10 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1hsb n ASN 17 Cb 0.50 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 1hsb n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hsb n GLY 18 N 0.75 2.78 3.70 7.41 0.00 0.21 -4.97 105.19 115.07 1hsb n GLY 18 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1hsb n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hsb s LYS 19 N -0.21 4.12 0.42 1.61 1.02 -0.20 -4.95 119.74 121.56 1hsb s LYS 19 Ca 0.00 -0.25 -0.26 0.00 0.02 0.00 0.00 55.97 55.48 1hsb s LYS 19 Cb 0.00 -3.36 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 1hsb s LYS 19 CO 0.00 0.30 1.26 0.45 -0.92 0.00 0.00 175.35 176.44 1hsb n SER 20 N 3.50 2.51 -0.55 2.83 2.88 -1.26 -4.03 113.62 119.50 1hsb n SER 20 Ca -0.16 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1hsb n SER 20 Cb 0.52 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1hsb n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1hsb n ASN 21 N 0.24 0.00 -3.94 -3.46 2.85 0.11 -4.99 115.26 106.07 1hsb n ASN 21 Ca 0.07 -0.55 -0.20 0.00 -0.11 0.00 0.00 54.58 53.78 1hsb n ASN 21 Cb 0.39 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.25 1hsb n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hsb s PHE 22 N -6.30 0.87 -0.20 1.20 0.08 -1.26 -1.32 117.98 111.04 1hsb s PHE 22 Ca 0.00 -0.25 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 1hsb s PHE 22 Cb 0.00 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 1hsb s PHE 22 CO 0.00 -0.17 0.33 -1.17 -0.10 0.00 0.00 175.22 174.11 1hsb s LEU 23 N 0.64 4.17 -0.06 -0.37 2.96 0.76 -0.86 118.68 125.91 1hsb s LEU 23 Ca -0.09 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1hsb s LEU 23 Cb -0.13 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1hsb s LEU 23 CO 0.01 -0.01 -0.10 0.20 -1.32 0.00 0.00 176.35 175.13 1hsb s ASN 24 N 0.92 4.40 -0.25 3.68 0.01 0.26 -1.21 114.94 122.76 1hsb s ASN 24 Ca 0.16 -0.10 0.01 0.00 -0.71 0.00 0.00 52.86 52.22 1hsb s ASN 24 Cb -0.14 -1.04 0.07 0.00 0.41 0.00 0.00 41.25 40.55 1hsb s ASN 24 CO 0.06 0.35 -0.03 0.00 -1.51 0.00 0.00 177.10 175.98 1hsb s TYR 26 N 1.37 3.19 -0.17 0.00 5.04 -0.13 -0.87 117.35 125.79 1hsb s TYR 26 Ca -0.03 -0.59 -0.07 0.00 -2.44 0.00 0.00 57.07 53.94 1hsb s TYR 26 Cb -0.19 -2.94 -0.04 0.00 0.35 0.00 0.00 41.96 39.14 1hsb s TYR 26 CO -0.08 -0.73 0.07 0.14 -1.34 0.00 0.00 175.55 173.61 1hsb s VAL 27 N 1.94 4.91 0.34 3.14 -7.23 -0.62 -1.74 120.40 121.14 1hsb s VAL 27 Ca 0.08 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.25 1hsb s VAL 27 Cb -0.20 -3.20 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 1hsb s VAL 27 CO 0.11 0.49 0.44 -0.94 -0.31 0.00 0.00 175.10 174.89 1hsb s SER 28 N 0.11 1.08 -1.10 4.85 1.04 -0.93 -1.54 113.70 117.22 1hsb s SER 28 Ca 0.06 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1hsb s SER 28 Cb -0.12 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1hsb s SER 28 CO 0.00 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.57 1hsb n GLY 29 N -0.58 1.10 3.75 7.32 0.00 -0.51 0.01 105.19 116.29 1hsb n GLY 29 Ca 0.02 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1hsb n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hsb s PHE 30 N -2.16 3.04 -0.21 1.61 -0.71 -1.19 -4.18 117.98 114.17 1hsb s PHE 30 Ca 0.00 -0.06 -0.16 0.00 -1.04 0.00 0.00 56.93 55.67 1hsb s PHE 30 Cb 0.00 -1.46 0.06 0.00 -1.21 0.00 0.00 43.02 40.41 1hsb s PHE 30 CO 0.00 0.52 0.55 -1.58 -1.34 0.00 0.00 175.22 173.37 1hsb s HIS 31 N -1.75 -0.72 1.22 3.49 2.46 -0.58 -0.90 115.29 118.51 1hsb s HIS 31 Ca 0.30 1.59 -0.16 0.00 0.47 0.00 0.00 55.06 57.26 1hsb s HIS 31 Cb -0.10 0.33 0.30 0.00 -0.13 0.00 0.00 32.58 32.98 1hsb s HIS 31 CO 0.22 -0.36 1.02 -1.25 -2.47 0.00 0.00 174.74 171.89 1hsb s PRO 32 N 0.93 -1.33 0.43 2.88 0.04 -1.26 -0.98 135.00 135.71 1hsb s PRO 32 Ca -0.05 0.49 0.30 0.00 0.04 0.00 0.00 61.00 61.78 1hsb s PRO 32 Cb -0.05 -1.53 1.21 0.00 0.04 0.00 0.00 34.50 34.17 1hsb s PRO 32 CO -0.08 -3.91 1.87 0.66 0.04 0.00 0.00 177.00 175.59 1hsb h SER 33 N -2.74 0.00 -3.35 6.66 4.64 -1.99 -3.44 113.55 113.34 1hsb h SER 33 Ca -0.55 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.24 1hsb h SER 33 Cb 1.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1hsb h SER 33 CO 0.45 0.00 0.48 -1.81 -0.87 0.00 0.00 176.83 175.08 1hsb s ASP 34 N -5.07 7.22 0.13 4.97 1.01 -1.26 -4.98 116.67 118.68 1hsb s ASP 34 Ca 0.02 1.92 -0.23 0.00 0.71 0.00 0.00 52.55 54.98 1hsb s ASP 34 Cb 0.09 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.50 1hsb s ASP 34 CO 0.48 -0.34 0.57 -0.51 0.21 0.00 0.00 175.17 175.58 1hsb s ILE 35 N 0.73 0.01 -0.10 0.77 2.07 -1.26 -4.61 121.20 118.80 1hsb s ILE 35 Ca 0.54 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1hsb s ILE 35 Cb -0.27 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1hsb s ILE 35 CO 0.30 -0.05 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.49 1hsb s GLU 36 N -3.42 1.52 -0.07 3.50 2.12 -0.37 -4.96 118.70 117.01 1hsb s GLU 36 Ca -0.00 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.06 1hsb s GLU 36 Cb -0.01 -1.49 0.02 0.00 0.26 0.00 0.00 34.13 32.91 1hsb s GLU 36 CO -0.10 -0.19 -0.10 0.08 -0.54 0.00 0.00 175.26 174.41 1hsb s VAL 37 N 1.41 1.06 -0.01 3.70 1.01 -1.26 -0.23 120.40 126.08 1hsb s VAL 37 Ca -0.01 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1hsb s VAL 37 Cb -0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1hsb s VAL 37 CO -0.05 0.35 -0.16 -1.81 0.00 0.00 0.00 175.10 173.43 1hsb s ASP 38 N 0.93 1.82 -0.12 3.32 1.01 0.20 -4.98 116.67 118.84 1hsb s ASP 38 Ca -0.10 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 52.80 1hsb s ASP 38 Cb -0.15 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 1hsb s ASP 38 CO 0.01 0.19 0.16 -0.76 0.21 0.00 0.00 175.17 174.97 1hsb s LEU 39 N -0.38 4.38 -0.04 1.23 1.43 -1.26 -1.32 118.68 122.72 1hsb s LEU 39 Ca 0.06 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1hsb s LEU 39 Cb -0.06 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1hsb s LEU 39 CO -0.01 0.38 -0.22 -0.76 0.23 0.00 0.00 176.35 175.98 1hsb s LEU 40 N -0.91 2.02 -0.20 1.79 1.43 0.10 -0.59 118.68 122.33 1hsb s LEU 40 Ca 0.15 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1hsb s LEU 40 Cb -0.12 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1hsb s LEU 40 CO 0.04 0.23 -0.16 -0.75 0.23 0.00 0.00 176.35 175.95 1hsb s LYS 41 N -0.24 2.99 -1.37 1.70 2.20 0.72 -1.65 119.74 124.08 1hsb s LYS 41 Ca 0.01 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1hsb s LYS 41 Cb -0.11 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1hsb s LYS 41 CO 0.02 -0.25 0.55 0.09 -0.36 0.00 0.00 175.35 175.40 1hsb n ASN 42 N 4.64 -0.76 0.00 1.43 3.02 0.38 -1.05 115.26 122.92 1hsb n ASN 42 Ca -0.20 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1hsb n ASN 42 Cb 0.49 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 1hsb n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hsb n GLY 43 N -1.80 2.19 3.87 7.41 0.00 -1.26 -4.97 105.19 110.62 1hsb n GLY 43 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1hsb n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hsb s GLU 44 N 0.00 3.83 0.00 1.61 8.01 -0.21 -4.95 118.70 127.00 1hsb s GLU 44 Ca 0.00 0.51 -0.30 0.00 0.01 0.00 0.00 54.97 55.19 1hsb s GLU 44 Cb 0.00 -2.41 -0.05 0.00 -4.31 0.00 0.00 34.13 27.36 1hsb s GLU 44 CO 0.00 0.02 1.28 0.50 0.01 0.00 0.00 175.26 177.08 1hsb s ARG 45 N -3.60 4.34 0.36 1.61 3.52 -1.26 -0.20 118.95 123.72 1hsb s ARG 45 Ca 0.52 1.83 -0.26 0.00 -0.13 0.00 0.00 55.73 57.69 1hsb s ARG 45 Cb -0.10 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 1hsb s ARG 45 CO 0.27 -0.45 1.06 0.42 -0.81 0.00 0.00 175.30 175.80 1hsb s ILE 46 N 1.93 3.67 -0.15 4.11 1.01 0.25 -4.89 121.20 127.13 1hsb s ILE 46 Ca 0.60 1.39 -0.11 0.00 0.00 0.00 0.00 60.65 62.53 1hsb s ILE 46 Cb -0.29 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 1hsb s ILE 46 CO 0.26 0.11 0.02 -0.33 0.00 0.00 0.00 174.94 175.00 1hsb h GLU 47 N 2.89 0.00 -3.25 2.79 4.39 -1.95 -3.40 114.58 116.04 1hsb h GLU 47 Ca -0.48 0.00 -0.80 0.00 0.34 0.00 0.00 59.36 58.43 1hsb h GLU 47 Cb 1.21 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.61 1hsb h GLU 47 CO 0.64 0.29 0.94 1.17 -1.16 0.00 0.00 179.01 180.89 1hsb n LYS 48 N -4.61 4.09 -3.49 2.33 4.81 -1.26 -4.96 118.16 115.07 1hsb n LYS 48 Ca -0.11 -4.34 -0.38 0.00 -0.87 0.00 0.00 58.31 52.61 1hsb n LYS 48 Cb 0.31 -2.61 -0.06 0.00 0.02 0.00 0.00 35.03 32.69 1hsb n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1hsb s VAL 49 N -1.74 5.08 0.22 3.15 1.01 -1.26 -4.80 120.40 122.06 1hsb s VAL 49 Ca 0.33 0.82 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1hsb s VAL 49 Cb 0.02 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1hsb s VAL 49 CO 0.05 0.53 0.06 -0.70 0.00 0.00 0.00 175.10 175.03 1hsb s GLU 50 N -0.74 2.54 0.06 2.72 2.56 -0.49 -4.93 118.70 120.42 1hsb s GLU 50 Ca 0.23 -1.17 -0.04 0.00 0.00 0.00 0.00 54.97 54.00 1hsb s GLU 50 Cb -0.16 -2.37 -0.02 0.00 2.00 0.00 0.00 34.13 33.57 1hsb s GLU 50 CO 0.12 0.42 0.06 -3.38 -0.56 0.00 0.00 175.26 171.91 1hsb s HIS 51 N -2.00 0.34 1.10 5.30 -3.43 -1.26 -0.66 115.29 114.68 1hsb s HIS 51 Ca 0.30 -0.80 -0.15 0.00 -0.80 0.00 0.00 55.06 53.61 1hsb s HIS 51 Cb -0.08 -0.24 0.24 0.00 -1.43 0.00 0.00 32.58 31.07 1hsb s HIS 51 CO 0.21 -0.42 1.08 -1.54 -2.00 0.00 0.00 174.74 172.08 1hsb s SER 52 N -2.69 1.72 0.02 7.38 1.04 -0.14 -4.97 113.70 116.07 1hsb s SER 52 Ca 0.03 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.20 1hsb s SER 52 Cb 0.05 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 1hsb s SER 52 CO -0.09 -3.67 0.93 -1.81 0.98 0.00 0.00 173.24 169.58 1hsb s ASP 53 N -3.46 7.34 0.13 7.02 1.01 -1.26 -4.80 116.67 122.65 1hsb s ASP 53 Ca 0.67 1.62 -0.35 0.00 0.71 0.00 0.00 52.55 55.21 1hsb s ASP 53 Cb -0.17 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.07 1hsb s ASP 53 CO 0.58 -0.18 1.52 -0.11 0.21 0.00 0.00 175.17 177.19 1hsb n LEU 54 N 3.57 2.69 -4.21 1.23 7.94 -1.26 -4.95 117.00 122.01 1hsb n LEU 54 Ca 0.04 1.09 -0.18 0.00 -1.11 0.00 0.00 56.01 55.85 1hsb n LEU 54 Cb 0.51 -1.36 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 1hsb n LEU 54 CO 0.51 -0.49 -0.01 -0.55 -1.11 0.00 0.00 177.39 175.74 1hsb s SER 55 N 0.93 1.45 0.13 1.96 0.15 -1.21 -5.05 113.70 112.06 1hsb s SER 55 Ca 0.81 -1.68 -0.07 0.00 0.70 0.00 0.00 55.95 55.71 1hsb s SER 55 Cb -0.76 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1hsb s SER 55 CO 0.41 -1.17 0.20 0.72 1.20 0.00 0.00 173.24 174.60 1hsb s PHE 56 N -3.24 0.40 0.53 3.44 -0.12 -1.26 -1.52 117.98 116.22 1hsb s PHE 56 Ca 0.37 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 1hsb s PHE 56 Cb 0.01 -0.14 0.11 0.00 -0.63 0.00 0.00 43.02 42.36 1hsb s PHE 56 CO 0.26 -0.62 0.73 0.43 -0.05 0.00 0.00 175.22 175.97 1hsb n SER 57 N -0.13 1.01 0.24 1.98 7.64 0.89 -4.93 113.62 120.32 1hsb n SER 57 Ca -0.10 -1.85 0.07 0.00 1.01 0.00 0.00 58.87 58.01 1hsb n SER 57 Cb 0.63 -0.47 0.60 0.00 -1.01 0.00 0.00 64.21 63.96 1hsb n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1hsb h LYS 58 N 0.00 0.03 -0.57 1.43 1.63 -2.03 -1.07 116.57 116.00 1hsb h LYS 58 Ca -0.24 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1hsb h LYS 58 Cb 0.90 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1hsb h LYS 58 CO 0.26 0.05 0.00 -0.40 -3.45 0.00 0.00 179.45 175.92 1hsb n ASP 59 N -4.50 2.38 -0.18 4.20 5.75 -1.26 -4.85 116.55 118.10 1hsb n ASP 59 Ca -0.03 -2.20 -0.02 0.00 -0.01 0.00 0.00 54.79 52.53 1hsb n ASP 59 Cb 0.12 -0.39 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 1hsb n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1hsb n TRP 60 N 0.36 0.00 -3.09 2.11 7.02 -0.40 -5.02 117.44 118.42 1hsb n TRP 60 Ca 0.11 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.20 1hsb n TRP 60 Cb 0.46 -1.13 -0.06 0.00 -2.42 0.00 0.00 31.31 28.16 1hsb n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1hsb s SER 61 N -2.22 7.24 0.66 -0.99 1.04 -1.26 -4.70 113.70 113.47 1hsb s SER 61 Ca 0.00 1.47 -0.11 0.00 0.48 0.00 0.00 55.95 57.79 1hsb s SER 61 Cb 0.00 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 1hsb s SER 61 CO 0.00 0.20 1.05 -0.36 0.98 0.00 0.00 173.24 175.11 1hsb s PHE 62 N -0.92 3.44 -0.01 5.02 0.08 -0.08 -0.08 117.98 125.44 1hsb s PHE 62 Ca 0.34 1.24 -0.08 0.00 0.12 0.00 0.00 56.93 58.54 1hsb s PHE 62 Cb -0.21 -2.85 0.01 0.00 -0.57 0.00 0.00 43.02 39.39 1hsb s PHE 62 CO 0.23 -0.94 0.17 1.52 -0.10 0.00 0.00 175.22 176.10 1hsb s TYR 63 N -3.20 -0.02 -0.05 0.36 -0.85 -0.57 -1.42 117.35 111.59 1hsb s TYR 63 Ca 0.57 -0.01 -0.06 0.00 -0.52 0.00 0.00 57.07 57.05 1hsb s TYR 63 Cb -0.12 -0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.22 1hsb s TYR 63 CO 0.54 -0.29 0.17 -0.51 -1.52 0.00 0.00 175.55 173.93 1hsb s LEU 64 N -1.24 1.38 -0.22 -3.49 1.43 -0.59 -3.34 118.68 112.62 1hsb s LEU 64 Ca -0.13 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1hsb s LEU 64 Cb -0.07 0.61 -0.03 0.00 0.03 0.00 0.00 46.19 46.74 1hsb s LEU 64 CO 0.02 -0.13 0.03 -0.22 0.23 0.00 0.00 176.35 176.28 1hsb s LEU 65 N -0.24 3.36 -0.08 1.79 2.96 -1.26 -1.59 118.68 123.62 1hsb s LEU 65 Ca -0.03 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1hsb s LEU 65 Cb -0.03 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1hsb s LEU 65 CO 0.01 0.03 0.08 -0.31 -1.32 0.00 0.00 176.35 174.83 1hsb s TYR 66 N 1.23 3.37 0.04 5.38 1.51 -0.05 -0.96 117.35 127.88 1hsb s TYR 66 Ca 0.04 0.34 -0.19 0.00 -1.01 0.00 0.00 57.07 56.25 1hsb s TYR 66 Cb -0.15 -1.84 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1hsb s TYR 66 CO 0.02 0.60 0.42 1.52 -1.11 0.00 0.00 175.55 177.00 1hsb s TYR 67 N -1.01 -0.28 -0.01 2.71 1.13 0.17 -0.54 117.35 119.52 1hsb s TYR 67 Ca 0.16 0.25 -0.22 0.00 -1.41 0.00 0.00 57.07 55.85 1hsb s TYR 67 Cb -0.12 0.23 0.05 0.00 -1.10 0.00 0.00 41.96 41.02 1hsb s TYR 67 CO 0.06 -0.58 0.49 -0.08 -2.51 0.00 0.00 175.55 172.92 1hsb s THR 68 N -2.47 0.03 0.37 -3.49 -1.32 -0.35 -1.40 115.64 107.02 1hsb s THR 68 Ca -0.05 -0.27 -0.27 0.00 -1.21 0.00 0.00 61.69 59.89 1hsb s THR 68 Cb -0.01 -0.86 -0.10 0.00 -1.51 0.00 0.00 72.50 70.03 1hsb s THR 68 CO -0.02 -0.15 1.33 -0.70 -2.21 0.00 0.00 174.62 172.86 1hsb s GLU 69 N -1.63 4.15 0.22 7.08 2.12 -1.26 -0.17 118.70 129.21 1hsb s GLU 69 Ca -0.10 2.23 -0.15 0.00 0.36 0.00 0.00 54.97 57.31 1hsb s GLU 69 Cb -0.02 -2.91 0.01 0.00 0.26 0.00 0.00 34.13 31.47 1hsb s GLU 69 CO 0.04 -0.37 0.50 -0.59 -0.54 0.00 0.00 175.26 174.31 1hsb s PHE 70 N -1.19 0.12 -0.20 5.30 -0.71 -0.43 -4.75 117.98 116.11 1hsb s PHE 70 Ca 0.53 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.95 1hsb s PHE 70 Cb -0.40 0.30 0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1hsb s PHE 70 CO 0.52 -0.97 -0.17 0.99 -1.34 0.00 0.00 175.22 174.26 1hsb s THR 71 N -3.95 2.05 0.56 -4.49 2.01 -1.26 0.05 115.64 110.60 1hsb s THR 71 Ca 0.15 -1.12 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 1hsb s THR 71 Cb -0.01 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1hsb s THR 71 CO 0.03 0.36 1.36 -2.65 -0.69 0.00 0.00 174.62 173.03 1hsb n PRO 72 N 4.58 1.62 -4.15 4.92 -0.02 -1.26 -4.81 135.00 135.89 1hsb n PRO 72 Ca -0.19 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 1hsb n PRO 72 Cb 0.48 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 1hsb n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1hsb s THR 73 N -1.30 0.00 0.15 3.45 -4.23 -1.26 -0.62 115.64 111.83 1hsb s THR 73 Ca 0.73 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.35 1hsb s THR 73 Cb -0.41 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 1hsb s THR 73 CO 0.48 0.00 1.44 -0.33 -0.54 0.00 0.00 174.62 175.67 1hsb h GLU 74 N 2.42 0.74 0.00 3.99 5.08 -1.98 -3.37 114.58 121.46 1hsb h GLU 74 Ca -0.32 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.57 1hsb h GLU 74 Cb 1.25 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1hsb h GLU 74 CO 0.45 1.10 -1.65 1.63 -1.00 0.00 0.00 179.01 179.54 1hsb n LYS 75 N -3.98 0.65 -2.29 2.33 5.02 -1.26 -4.97 118.16 113.67 1hsb n LYS 75 Ca -0.04 -0.14 -0.41 0.00 -2.02 0.00 0.00 58.31 55.70 1hsb n LYS 75 Cb 0.63 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1hsb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hsb s ASP 76 N -3.87 6.99 -0.17 4.39 1.01 -1.26 -5.03 116.67 118.73 1hsb s ASP 76 Ca -0.04 2.38 -0.06 0.00 0.71 0.00 0.00 52.55 55.53 1hsb s ASP 76 Cb 0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1hsb s ASP 76 CO 0.78 -0.42 0.04 -1.61 0.21 0.00 0.00 175.17 174.16 1hsb s GLU 77 N -0.61 3.90 0.16 8.23 2.02 -1.26 -4.75 118.70 126.39 1hsb s GLU 77 Ca 0.52 -0.39 0.11 0.00 0.02 0.00 0.00 54.97 55.24 1hsb s GLU 77 Cb -0.35 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1hsb s GLU 77 CO 0.40 0.27 -0.24 0.71 0.02 0.00 0.00 175.26 176.42 1hsb s TYR 78 N 0.35 2.33 0.25 1.61 2.02 -1.26 -0.47 117.35 122.19 1hsb s TYR 78 Ca 0.01 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.17 1hsb s TYR 78 Cb -0.13 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1hsb s TYR 78 CO 0.01 0.42 0.63 0.00 -1.57 0.00 0.00 175.55 175.04 1hsb s ALA 79 N -1.37 -0.98 -0.05 3.71 0.00 -0.66 -0.56 121.76 121.85 1hsb s ALA 79 Ca 0.18 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1hsb s ALA 79 Cb -0.09 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1hsb s ALA 79 CO 0.08 -0.95 -0.16 0.00 0.00 0.00 0.00 175.76 174.73 1hsb s ARG 81 N 0.18 2.83 -0.06 0.00 3.52 -0.43 -0.29 118.95 124.70 1hsb s ARG 81 Ca -0.07 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 1hsb s ARG 81 Cb -0.13 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.85 1hsb s ARG 81 CO 0.03 -0.16 -0.17 0.08 -0.81 0.00 0.00 175.30 174.26 1hsb s VAL 82 N 1.20 1.48 -0.00 7.11 1.01 -0.10 -0.63 120.40 130.46 1hsb s VAL 82 Ca 0.02 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1hsb s VAL 82 Cb -0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1hsb s VAL 82 CO -0.09 0.43 -0.16 0.21 0.00 0.00 0.00 175.10 175.48 1hsb s ASN 83 N 0.24 1.87 0.09 3.32 3.84 0.67 -0.53 114.94 124.44 1hsb s ASN 83 Ca -0.09 -0.32 -0.20 0.00 0.21 0.00 0.00 52.86 52.46 1hsb s ASN 83 Cb -0.14 -0.20 0.05 0.00 -0.55 0.00 0.00 41.25 40.42 1hsb s ASN 83 CO 0.04 0.18 0.49 -2.28 -2.79 0.00 0.00 177.10 172.74 1hsb s HIS 84 N -0.44 -0.37 0.48 0.43 5.65 -1.26 -1.23 115.29 118.55 1hsb s HIS 84 Ca 0.06 0.26 0.26 0.00 0.25 0.00 0.00 55.06 55.89 1hsb s HIS 84 Cb -0.06 0.35 1.31 0.00 -1.18 0.00 0.00 32.58 32.99 1hsb s HIS 84 CO -0.00 -0.69 1.85 -0.24 -0.65 0.00 0.00 174.74 175.00 1hsb h VAL 85 N 2.54 0.56 0.00 0.89 3.04 -1.95 0.19 116.25 121.52 1hsb h VAL 85 Ca -0.32 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1hsb h VAL 85 Cb 1.24 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1hsb h VAL 85 CO 0.42 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.37 1hsb n THR 86 N -4.39 0.04 -4.33 3.17 -2.24 -1.26 -4.76 114.28 100.52 1hsb n THR 86 Ca 0.21 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.66 1hsb n THR 86 Cb 0.91 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 68.47 1hsb n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1hsb s LEU 87 N -2.30 3.34 0.35 3.22 1.43 0.65 -4.99 118.68 120.38 1hsb s LEU 87 Ca 0.35 -0.10 0.18 0.00 -1.03 0.00 0.00 54.13 53.53 1hsb s LEU 87 Cb 0.20 -1.81 0.54 0.00 0.03 0.00 0.00 46.19 45.14 1hsb s LEU 87 CO 0.39 0.17 1.66 0.77 0.23 0.00 0.00 176.35 179.57 1hsb h SER 88 N 6.72 0.00 -4.85 2.29 4.64 -1.85 -3.44 113.55 117.06 1hsb h SER 88 Ca -0.32 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.80 1hsb h SER 88 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1hsb h SER 88 CO 0.64 0.41 -0.68 0.00 -0.87 0.00 0.00 176.83 176.33 1hsb s GLN 89 N -3.45 0.83 0.54 4.77 0.00 -1.26 -5.14 119.66 115.94 1hsb s GLN 89 Ca 0.01 -1.35 -0.21 0.00 -0.00 0.00 0.00 55.36 53.81 1hsb s GLN 89 Cb 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 33.01 32.99 1hsb s GLN 89 CO 0.70 -0.09 1.03 -2.30 0.00 0.00 0.00 175.29 174.63 1hsb n PRO 90 N -0.04 1.17 -3.61 9.60 -0.02 -1.26 -4.91 135.00 135.93 1hsb n PRO 90 Ca -0.11 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 1hsb n PRO 90 Cb 0.62 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 1hsb n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hsb s LYS 91 N -2.53 3.98 -0.19 -0.52 2.20 0.31 -4.91 119.74 118.09 1hsb s LYS 91 Ca 0.71 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.96 1hsb s LYS 91 Cb -0.46 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 1hsb s LYS 91 CO 0.51 -0.12 0.02 0.42 -0.36 0.00 0.00 175.35 175.82 1hsb s ILE 92 N 1.59 4.25 -0.18 5.43 1.01 -1.26 -0.92 121.20 131.11 1hsb s ILE 92 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1hsb s ILE 92 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1hsb s ILE 92 CO 0.09 0.44 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 1hsb s VAL 93 N 0.75 2.25 0.15 2.92 1.01 0.61 -4.96 120.40 123.13 1hsb s VAL 93 Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 1hsb s VAL 93 Cb -0.14 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 1hsb s VAL 93 CO 0.02 0.53 0.90 -1.59 0.00 0.00 0.00 175.10 174.95 1hsb s LYS 94 N 1.24 4.70 0.02 2.72 -2.85 -1.26 -0.52 119.74 123.79 1hsb s LYS 94 Ca 0.03 1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 56.06 1hsb s LYS 94 Cb -0.14 -3.33 -0.07 0.00 -2.06 0.00 0.00 37.83 32.24 1hsb s LYS 94 CO -0.10 0.38 1.55 -0.46 0.10 0.00 0.00 175.35 176.82 1hsb s TRP 95 N -0.57 2.54 -0.19 1.78 -0.00 0.28 -4.91 118.94 117.88 1hsb s TRP 95 Ca 0.42 0.51 -0.02 0.00 -0.00 0.00 0.00 56.10 57.01 1hsb s TRP 95 Cb -0.24 -3.83 -0.00 0.00 -0.00 0.00 0.00 33.47 29.40 1hsb s TRP 95 CO 0.29 -3.27 -0.10 0.34 -0.00 0.00 0.00 176.95 174.21 1hsb s ASP 96 N 2.31 3.99 0.09 5.86 -1.08 -1.26 -4.75 116.67 121.82 1hsb s ASP 96 Ca 0.70 -0.42 0.18 0.00 -0.52 0.00 0.00 52.55 52.48 1hsb s ASP 96 Cb -0.35 -1.65 0.76 0.00 -1.46 0.00 0.00 42.92 40.21 1hsb s ASP 96 CO 0.29 0.04 1.56 -2.11 0.52 0.00 0.00 175.17 175.47 1hsb n ARG 97 N 4.40 0.07 0.00 4.34 1.85 -1.26 -2.21 116.66 123.85 1hsb n ARG 97 Ca -0.19 0.30 0.14 0.00 -1.00 0.00 0.00 57.85 57.11 1hsb n ARG 97 Cb 0.51 -1.63 0.64 0.00 -1.05 0.00 0.00 32.46 30.94 1hsb n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1hsb n ASP 98 N -1.75 0.84 0.00 2.89 8.00 -1.26 -4.85 116.55 120.42 1hsb n ASP 98 Ca 0.03 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1hsb n ASP 98 Cb 0.20 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1hsb n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04