#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hzb n VAL 2 N 0.00 0.00 -4.19 2.53 0.24 -0.20 -4.96 118.33 111.75 3hzb n VAL 2 Ca 0.00 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.34 61.89 3hzb n VAL 2 Cb 0.00 0.71 -0.15 0.00 -1.47 0.00 0.00 33.84 32.93 3hzb n VAL 2 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hzb s ILE 3 N -2.46 0.48 -0.08 1.34 -1.09 -0.97 -0.70 121.20 117.72 3hzb s ILE 3 Ca 0.01 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3hzb s ILE 3 Cb 0.09 -0.42 0.02 0.00 -1.58 0.00 0.00 42.46 40.57 3hzb s ILE 3 CO 0.53 0.15 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.44 3hzb s THR 4 N 0.04 0.81 -0.14 2.92 2.01 -0.83 0.35 115.64 120.81 3hzb s THR 4 Ca -0.00 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 3hzb s THR 4 Cb -0.04 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3hzb s THR 4 CO -0.00 0.31 0.04 0.68 -0.69 0.00 0.00 174.62 174.96 3hzb s VAL 5 N 1.36 4.63 0.07 3.82 -7.23 -0.45 -1.00 120.40 121.61 3hzb s VAL 5 Ca -0.03 -0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.10 3hzb s VAL 5 Cb -0.14 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 3hzb s VAL 5 CO -0.03 0.53 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.84 3hzb s TYR 6 N -0.16 2.68 0.14 2.82 1.51 0.66 -1.25 117.35 123.75 3hzb s TYR 6 Ca 0.06 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.80 3hzb s TYR 6 Cb -0.12 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3hzb s TYR 6 CO 0.02 0.37 1.61 -0.22 -1.11 0.00 0.00 175.55 176.22 3hzb h LYS 7 N 4.01 0.74 -6.09 -0.62 3.64 -0.99 0.00 116.57 117.25 3hzb h LYS 7 Ca -0.49 -0.20 -0.52 0.00 -1.27 0.00 0.00 60.65 58.17 3hzb h LYS 7 Cb 1.16 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 3hzb h LYS 7 CO 0.50 0.77 -0.44 -0.51 -2.27 0.00 0.00 179.45 177.51 3hzb s ASP 8 N -6.16 4.87 0.73 4.20 1.01 -0.37 -3.26 116.67 117.69 3hzb s ASP 8 Ca -0.13 -0.81 -0.12 0.00 0.71 0.00 0.00 52.55 52.21 3hzb s ASP 8 Cb 0.11 -0.61 0.04 0.00 1.01 0.00 0.00 42.92 43.46 3hzb s ASP 8 CO 0.79 -0.55 1.09 0.00 0.21 0.00 0.00 175.17 176.71 3hzb n ASN 10 N -3.22 -3.78 -3.61 0.00 5.03 0.22 -3.67 115.26 106.22 3hzb n ASN 10 Ca 0.09 -0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.33 3hzb n ASN 10 Cb 0.53 -2.99 0.05 0.00 -1.02 0.00 0.00 39.78 36.35 3hzb n ASN 10 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3hzb n TYR 11 N -3.98 -2.00 -4.31 3.10 4.02 -1.25 -5.01 117.16 107.72 3hzb n TYR 11 Ca -0.14 0.86 -0.16 0.00 -0.01 0.00 0.00 57.90 58.44 3hzb n TYR 11 Cb 0.60 -4.54 -0.10 0.00 -0.02 0.00 0.00 39.34 35.28 3hzb n TYR 11 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hzb s THR 12 N -3.58 0.68 0.00 -0.72 -4.23 -1.24 -5.06 115.64 101.50 3hzb s THR 12 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3hzb s THR 12 Cb -0.01 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3hzb s THR 12 CO 0.79 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 3hzb n GLY 13 N -0.43 -0.76 3.64 3.99 0.00 -1.26 -1.23 105.19 109.13 3hzb n GLY 13 Ca -0.02 -1.71 -0.47 0.00 0.00 0.00 0.00 46.02 43.82 3hzb n GLY 13 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hzb n PHE 14 N -0.79 1.94 -4.38 1.61 7.35 -1.26 -4.44 117.46 117.49 3hzb n PHE 14 Ca 0.00 0.47 -0.23 0.00 -0.76 0.00 0.00 57.45 56.93 3hzb n PHE 14 Cb 0.00 -2.43 -0.11 0.00 0.35 0.00 0.00 39.48 37.29 3hzb n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3hzb s SER 15 N 0.40 2.99 -0.04 -2.13 1.04 -1.26 -0.72 113.70 113.98 3hzb s SER 15 Ca 0.74 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 56.27 3hzb s SER 15 Cb -0.73 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.20 3hzb s SER 15 CO 0.47 -0.00 -0.06 -0.83 0.98 0.00 0.00 173.24 173.79 3hzb s GLY 16 N -2.88 0.49 -0.10 7.32 0.00 -0.38 -4.93 107.32 106.85 3hzb s GLY 16 Ca 0.20 -0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.62 3hzb s GLY 16 CO 0.09 0.24 0.33 -0.32 0.00 0.00 0.00 173.10 173.44 3hzb s GLY 17 N 0.65 2.31 0.20 0.20 0.00 -1.26 -1.34 107.32 108.08 3hzb s GLY 17 Ca -0.10 -0.37 0.11 0.00 0.00 0.00 0.00 44.72 44.36 3hzb s GLY 17 CO 0.01 0.27 -0.22 1.08 0.00 0.00 0.00 173.10 174.24 3hzb s LEU 18 N -0.23 2.46 0.44 0.66 1.43 0.16 -5.00 118.68 118.60 3hzb s LEU 18 Ca 0.20 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 3hzb s LEU 18 Cb -0.14 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3hzb s LEU 18 CO 0.08 0.07 0.10 0.42 0.23 0.00 0.00 176.35 177.24 3hzb s THR 19 N -1.91 0.75 0.22 5.49 -4.23 -1.26 -1.04 115.64 113.66 3hzb s THR 19 Ca 0.21 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.40 3hzb s THR 19 Cb -0.07 -2.29 -0.14 0.00 1.34 0.00 0.00 72.50 71.33 3hzb s THR 19 CO 0.10 0.00 1.29 -0.38 -0.54 0.00 0.00 174.62 175.08 3hzb n ILE 20 N -1.01 0.99 -0.10 2.99 2.08 -1.26 -4.67 119.36 118.37 3hzb n ILE 20 Ca -0.10 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 62.97 3hzb n ILE 20 Cb 0.65 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 3hzb n ILE 20 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hzb n GLY 21 N 2.03 0.62 3.62 7.39 0.00 -0.44 -4.96 105.19 113.45 3hzb n GLY 21 Ca 0.13 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3hzb n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hzb s ASP 22 N -0.94 5.37 -0.37 1.61 1.01 -1.26 -0.59 116.67 121.50 3hzb s ASP 22 Ca 0.00 0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.34 3hzb s ASP 22 Cb 0.00 -1.84 0.11 0.00 1.01 0.00 0.00 42.92 42.20 3hzb s ASP 22 CO 0.00 0.22 0.10 -0.31 0.21 0.00 0.00 175.17 175.39 3hzb s TYR 23 N 0.10 3.28 0.94 4.23 1.51 0.96 -5.02 117.35 123.35 3hzb s TYR 23 Ca 0.03 -2.82 -0.15 0.00 -1.01 0.00 0.00 57.07 53.12 3hzb s TYR 23 Cb -0.13 -2.68 0.18 0.00 -0.11 0.00 0.00 41.96 39.22 3hzb s TYR 23 CO 0.01 -0.89 1.30 0.54 -1.11 0.00 0.00 175.55 175.40 3hzb s ASN 24 N 0.77 3.33 0.23 2.29 6.03 -1.26 -1.05 114.94 125.28 3hzb s ASN 24 Ca 0.12 0.35 -0.06 0.00 -1.03 0.00 0.00 52.86 52.24 3hzb s ASN 24 Cb -0.20 -0.47 0.36 0.00 -3.03 0.00 0.00 41.25 37.92 3hzb s ASN 24 CO -0.09 -2.61 1.79 0.25 -2.03 0.00 0.00 177.10 174.41 3hzb h LEU 25 N -1.56 0.53 -0.56 3.54 6.46 -1.93 -0.70 115.31 121.09 3hzb h LEU 25 Ca -0.45 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.44 3hzb h LEU 25 Cb 1.25 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 3hzb h LEU 25 CO 0.42 0.30 0.24 0.00 -0.62 0.00 0.00 178.44 178.78 3hzb h ALA 26 N 1.44 0.72 -0.40 1.25 0.00 -1.92 0.54 119.26 120.89 3hzb h ALA 26 Ca 0.37 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 3hzb h ALA 26 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hzb h ALA 26 CO -0.27 -0.14 -0.21 -0.09 0.00 0.00 0.00 179.25 178.54 3hzb h ARG 27 N 0.45 0.79 -0.55 0.00 2.43 -1.56 -1.80 114.38 114.15 3hzb h ARG 27 Ca 0.27 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3hzb h ARG 27 Cb 0.26 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3hzb h ARG 27 CO -0.23 0.93 0.20 -0.07 -1.51 0.00 0.00 179.97 179.29 3hzb h LEU 28 N 0.69 0.77 -1.70 3.80 3.38 -0.54 -2.44 115.31 119.26 3hzb h LEU 28 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hzb h LEU 28 Cb 0.72 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hzb h LEU 28 CO 0.06 0.74 0.10 0.78 0.09 0.00 0.00 178.44 180.21 3hzb h ASN 29 N 0.75 0.26 0.55 -0.43 4.21 -0.62 -0.68 115.58 119.62 3hzb h ASN 29 Ca 0.18 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3hzb h ASN 29 Cb 0.22 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3hzb h ASN 29 CO -0.01 0.23 0.00 -1.54 -1.29 0.00 0.00 177.43 174.82 3hzb n SER 30 N -4.46 0.54 -0.42 5.81 3.41 -0.70 -0.92 113.62 116.87 3hzb n SER 30 Ca 0.00 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 3hzb n SER 30 Cb 0.11 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.29 3hzb n SER 30 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hzb n LEU 31 N -2.12 1.84 0.00 1.04 4.77 -0.37 -4.95 117.00 117.20 3hzb n LEU 31 Ca 0.02 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3hzb n LEU 31 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hzb n LEU 31 CO 0.16 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3hzb n GLY 32 N 1.34 0.68 3.69 -0.72 0.00 -0.10 -4.83 105.19 105.25 3hzb n GLY 32 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hzb n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hzb s VAL 33 N -2.69 4.84 0.39 1.61 1.01 -0.53 -4.94 120.40 120.08 3hzb s VAL 33 Ca 0.00 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.86 3hzb s VAL 33 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3hzb s VAL 33 CO 0.00 0.05 0.66 -0.76 0.00 0.00 0.00 175.10 175.05 3hzb s LEU 34 N 1.77 3.86 0.57 3.92 1.43 -1.26 -2.82 118.68 126.15 3hzb s LEU 34 Ca 0.46 0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 3hzb s LEU 34 Cb -0.18 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3hzb s LEU 34 CO 0.19 -0.39 1.09 0.21 0.23 0.00 0.00 176.35 177.68 3hzb s ASN 35 N -3.79 5.69 -1.45 2.29 3.84 -1.26 -3.67 114.94 116.58 3hzb s ASN 35 Ca 0.45 2.02 -0.10 0.00 0.21 0.00 0.00 52.86 55.43 3hzb s ASN 35 Cb -0.10 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.05 3hzb s ASN 35 CO 0.38 -1.24 0.20 0.47 -2.79 0.00 0.00 177.10 174.12 3hzb n ASP 36 N -1.67 -0.49 0.00 -4.21 8.00 -0.70 -4.78 116.55 112.70 3hzb n ASP 36 Ca 0.10 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3hzb n ASP 36 Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 3hzb n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hzb n ASP 37 N -2.67 0.00 -4.74 -2.24 4.64 -1.24 -4.43 116.55 105.87 3hzb n ASP 37 Ca -0.27 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.73 3hzb n ASP 37 Cb 0.66 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.72 3hzb n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hzb s ILE 38 N -0.67 2.55 0.00 5.18 1.01 -1.26 -4.57 121.20 123.45 3hzb s ILE 38 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3hzb s ILE 38 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3hzb s ILE 38 CO 0.00 0.07 0.00 -1.20 0.00 0.00 0.00 174.94 173.81 3hzb n SER 39 N 2.55 4.87 -3.67 3.58 7.64 -0.02 -1.92 113.62 126.65 3hzb n SER 39 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 3hzb n SER 39 Cb 0.39 0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 64.45 3hzb n SER 39 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hzb s SER 40 N -2.09 -0.20 -0.06 6.43 1.04 -1.18 -0.75 113.70 116.89 3hzb s SER 40 Ca 0.00 -0.37 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 3hzb s SER 40 Cb 0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.64 3hzb s SER 40 CO 0.00 -0.86 0.54 -1.48 0.98 0.00 0.00 173.24 172.42 3hzb s LEU 41 N -2.82 -0.09 -0.17 2.42 0.05 -0.62 -0.24 118.68 117.20 3hzb s LEU 41 Ca 0.04 0.55 -0.08 0.00 0.05 0.00 0.00 54.13 54.69 3hzb s LEU 41 Cb 0.02 2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 46.16 3hzb s LEU 41 CO -0.11 -0.51 0.10 -0.13 -0.55 0.00 0.00 176.35 175.15 3hzb s ARG 42 N -1.08 3.92 -0.24 1.48 0.52 -0.17 -1.47 118.95 121.93 3hzb s ARG 42 Ca -0.11 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3hzb s ARG 42 Cb -0.02 -3.27 0.04 0.00 0.52 0.00 0.00 34.95 32.22 3hzb s ARG 42 CO 0.07 0.39 -0.10 0.42 0.02 0.00 0.00 175.30 176.09 3hzb s ILE 43 N 0.07 2.47 0.23 1.52 -1.09 -1.26 -1.96 121.20 121.18 3hzb s ILE 43 Ca 0.07 -1.22 -0.30 0.00 -2.23 0.00 0.00 60.65 56.97 3hzb s ILE 43 Cb -0.12 -2.28 -0.09 0.00 -1.58 0.00 0.00 42.46 38.39 3hzb s ILE 43 CO -0.00 0.18 1.23 -0.89 -1.23 0.00 0.00 174.94 174.24 3hzb s THR 44 N 1.24 3.31 0.13 2.92 2.01 0.12 -4.44 115.64 120.94 3hzb s THR 44 Ca -0.02 1.16 -0.35 0.00 0.31 0.00 0.00 61.69 62.79 3hzb s THR 44 Cb -0.17 -3.74 -0.16 0.00 0.01 0.00 0.00 72.50 68.44 3hzb s THR 44 CO -0.06 0.21 1.32 1.67 -0.69 0.00 0.00 174.62 177.07 3hzb n GLN 45 N 2.09 1.33 0.00 4.92 7.27 -1.26 -1.63 117.38 130.09 3hzb n GLN 45 Ca 0.03 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.58 3hzb n GLN 45 Cb 0.44 -2.10 0.00 0.00 2.41 0.00 0.00 30.24 30.99 3hzb n GLN 45 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hzb n GLY 46 N 2.47 0.44 3.32 1.69 0.00 -1.21 -4.96 105.19 106.93 3hzb n GLY 46 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3hzb n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hzb s TYR 47 N -2.00 1.55 -0.02 1.61 2.02 -0.65 0.13 117.35 119.99 3hzb s TYR 47 Ca 0.00 -1.17 -0.23 0.00 -0.37 0.00 0.00 57.07 55.30 3hzb s TYR 47 Cb 0.00 -0.91 0.05 0.00 -0.40 0.00 0.00 41.96 40.70 3hzb s TYR 47 CO 0.00 -0.32 0.50 1.14 -1.57 0.00 0.00 175.55 175.30 3hzb s GLN 48 N -4.03 0.91 -0.13 -0.62 -2.07 -0.80 -4.61 119.66 108.32 3hzb s GLN 48 Ca 0.37 -0.02 -0.00 0.00 -1.82 0.00 0.00 55.36 53.89 3hzb s GLN 48 Cb 0.08 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.40 3hzb s GLN 48 CO 0.13 -0.28 -0.13 0.00 -1.32 0.00 0.00 175.29 173.70 3hzb s ALA 49 N -1.52 2.64 -0.35 2.60 0.00 -0.54 -2.13 121.76 122.46 3hzb s ALA 49 Ca -0.11 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 3hzb s ALA 49 Cb -0.02 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.88 3hzb s ALA 49 CO 0.05 0.25 0.21 0.42 0.00 0.00 0.00 175.76 176.69 3hzb s ILE 50 N 0.35 4.85 0.06 0.00 1.01 0.47 -0.74 121.20 127.20 3hzb s ILE 50 Ca -0.11 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 3hzb s ILE 50 Cb -0.16 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 3hzb s ILE 50 CO 0.06 -0.11 0.53 -0.76 0.00 0.00 0.00 174.94 174.66 3hzb s LEU 51 N 1.63 4.50 0.00 2.97 1.43 0.04 -1.47 118.68 127.79 3hzb s LEU 51 Ca 0.04 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.40 3hzb s LEU 51 Cb -0.18 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 3hzb s LEU 51 CO 0.08 0.28 -0.23 -0.31 0.23 0.00 0.00 176.35 176.40 3hzb s TYR 52 N -1.13 2.04 0.10 0.29 2.02 -0.46 -1.61 117.35 118.60 3hzb s TYR 52 Ca 0.28 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.43 3hzb s TYR 52 Cb -0.19 -1.29 -0.07 0.00 -0.40 0.00 0.00 41.96 40.02 3hzb s TYR 52 CO 0.18 0.01 1.51 1.96 -1.57 0.00 0.00 175.55 177.63 3hzb h GLN 53 N 5.34 0.57 -6.22 -0.62 1.08 -1.12 -1.80 115.11 112.33 3hzb h GLN 53 Ca -0.42 -0.21 -0.48 0.00 -1.45 0.00 0.00 58.65 56.09 3hzb h GLN 53 Cb 1.14 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 3hzb h GLN 53 CO 0.46 0.75 -0.37 -0.51 -0.95 0.00 0.00 178.83 178.21 3hzb s ASP 54 N -6.15 5.22 0.99 1.46 1.01 -0.41 -3.52 116.67 115.27 3hzb s ASP 54 Ca -0.13 -0.63 -0.12 0.00 0.71 0.00 0.00 52.55 52.38 3hzb s ASP 54 Cb 0.08 -0.68 0.18 0.00 1.01 0.00 0.00 42.92 43.52 3hzb s ASP 54 CO 0.78 -0.61 1.08 -0.62 0.21 0.00 0.00 175.17 176.01 3hzb s ASP 55 N -4.14 2.65 -1.41 0.27 2.15 -1.26 -3.36 116.67 111.57 3hzb s ASP 55 Ca 0.48 1.38 -0.10 0.00 0.43 0.00 0.00 52.55 54.74 3hzb s ASP 55 Cb -0.05 -2.06 0.06 0.00 -0.30 0.00 0.00 42.92 40.57 3hzb s ASP 55 CO 0.29 -3.14 0.63 0.59 -0.17 0.00 0.00 175.17 173.36 3hzb n ASN 56 N -4.20 -4.45 -3.79 -0.34 3.02 -1.26 -2.29 115.26 101.95 3hzb n ASN 56 Ca 0.06 -0.47 -0.27 0.00 -0.03 0.00 0.00 54.58 53.87 3hzb n ASN 56 Cb 0.56 -3.63 0.04 0.00 -0.61 0.00 0.00 39.78 36.14 3hzb n ASN 56 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hzb n PHE 57 N -4.23 -2.35 -3.84 3.10 3.01 -1.24 -4.99 117.46 106.91 3hzb n PHE 57 Ca -0.02 0.92 -0.22 0.00 1.01 0.00 0.00 57.45 59.14 3hzb n PHE 57 Cb 0.55 -4.33 -0.05 0.00 -0.01 0.00 0.00 39.48 35.64 3hzb n PHE 57 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hzb s GLY 58 N -3.56 2.18 0.00 1.37 0.00 -0.97 -5.00 107.32 101.34 3hzb s GLY 58 Ca 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3hzb s GLY 58 CO 0.80 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 172.73 3hzb n GLY 59 N -1.38 -1.84 3.74 0.20 0.00 -1.26 -1.29 105.19 103.36 3hzb n GLY 59 Ca 0.01 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 3hzb n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hzb s ALA 60 N -1.14 2.30 0.12 4.61 0.00 -1.26 -4.68 121.76 121.71 3hzb s ALA 60 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hzb s ALA 60 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3hzb s ALA 60 CO 0.00 -1.57 0.01 -1.54 0.00 0.00 0.00 175.76 172.66 3hzb s SER 61 N -2.10 0.71 -0.09 0.00 1.04 -1.26 -1.03 113.70 110.97 3hzb s SER 61 Ca 0.73 -1.13 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 3hzb s SER 61 Cb -0.27 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.09 3hzb s SER 61 CO 0.42 -0.62 0.44 0.28 0.98 0.00 0.00 173.24 174.73 3hzb s THR 62 N -3.86 0.02 -0.20 2.02 -1.32 -0.63 -4.98 115.64 106.70 3hzb s THR 62 Ca 0.19 -0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.40 3hzb s THR 62 Cb 0.07 -0.69 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 3hzb s THR 62 CO -0.01 -0.10 0.11 -0.69 -2.21 0.00 0.00 174.62 171.73 3hzb s VAL 63 N -0.59 5.23 -0.27 5.08 1.01 -1.26 -0.78 120.40 128.82 3hzb s VAL 63 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3hzb s VAL 63 Cb -0.03 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.98 3hzb s VAL 63 CO 0.04 0.44 0.01 -0.63 0.00 0.00 0.00 175.10 174.95 3hzb s ILE 64 N 0.40 3.42 -0.23 2.22 -1.09 0.08 -4.97 121.20 121.03 3hzb s ILE 64 Ca 0.07 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.72 3hzb s ILE 64 Cb -0.12 -2.74 0.17 0.00 -1.58 0.00 0.00 42.46 38.19 3hzb s ILE 64 CO -0.01 0.15 1.12 -0.46 -1.23 0.00 0.00 174.94 174.51 3hzb n ASN 65 N 4.77 2.42 -3.59 3.58 0.23 -1.26 -1.47 115.26 119.94 3hzb n ASN 65 Ca -0.16 -2.31 -0.14 0.00 -0.53 0.00 0.00 54.58 51.45 3hzb n ASN 65 Cb 0.48 -0.18 -0.05 0.00 -2.08 0.00 0.00 39.78 37.94 3hzb n ASN 65 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3hzb s SER 66 N -1.47 -0.41 0.13 0.53 1.04 -1.26 -4.92 113.70 107.34 3hzb s SER 66 Ca 0.15 0.13 -0.35 0.00 0.48 0.00 0.00 55.95 56.36 3hzb s SER 66 Cb 0.11 0.48 -0.16 0.00 0.10 0.00 0.00 66.02 66.55 3hzb s SER 66 CO 0.04 -0.72 1.25 0.47 0.98 0.00 0.00 173.24 175.27 3hzb n ASP 67 N 0.38 1.51 -4.04 7.02 8.00 -1.26 -4.65 116.55 123.49 3hzb n ASP 67 Ca -0.18 1.13 -0.32 0.00 0.71 0.00 0.00 54.79 56.13 3hzb n ASP 67 Cb 0.60 -1.21 -0.15 0.00 -0.02 0.00 0.00 41.12 40.34 3hzb n ASP 67 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3hzb s ASN 68 N 0.24 3.97 0.06 -2.24 3.84 -0.54 -4.98 114.94 115.30 3hzb s ASN 68 Ca 0.79 -1.16 0.26 0.00 0.21 0.00 0.00 52.86 52.96 3hzb s ASN 68 Cb -0.90 -1.43 1.06 0.00 -0.55 0.00 0.00 41.25 39.43 3hzb s ASN 68 CO 0.49 -0.16 1.83 -1.54 -2.79 0.00 0.00 177.10 174.94 3hzb n SER 69 N 4.54 0.23 -3.15 -4.21 3.41 -1.26 -1.59 113.62 111.59 3hzb n SER 69 Ca -0.15 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.04 3hzb n SER 69 Cb 0.44 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3hzb n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hzb n LEU 71 N 5.30 5.89 0.00 0.00 4.77 0.07 -5.00 117.00 128.03 3hzb n LEU 71 Ca 0.03 0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 56.57 3hzb n LEU 71 Cb 0.55 -1.56 0.25 0.00 -2.33 0.00 0.00 43.42 40.33 3hzb n LEU 71 CO -0.11 -0.92 0.68 -0.46 -1.33 0.00 0.00 177.39 175.24 3hzb n ASN 72 N -1.68 -1.62 0.20 -1.43 2.04 -1.26 -4.34 115.26 107.17 3hzb n ASN 72 Ca 0.15 -1.25 0.06 0.00 -0.44 0.00 0.00 54.58 53.10 3hzb n ASN 72 Cb 0.47 -1.03 0.55 0.00 -2.53 0.00 0.00 39.78 37.24 3hzb n ASN 72 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 3hzb h THR 73 N -2.54 1.07 -0.03 5.53 2.02 -1.94 0.44 112.91 117.46 3hzb h THR 73 Ca -0.42 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 3hzb h THR 73 Cb 1.26 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3hzb h THR 73 CO 0.28 0.09 -0.60 0.74 0.37 0.00 0.00 175.52 176.39 3hzb h THR 74 N 0.10 1.41 0.00 3.16 2.02 -2.03 -3.36 112.91 114.22 3hzb h THR 74 Ca 0.03 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.18 3hzb h THR 74 Cb 0.11 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3hzb h THR 74 CO 0.00 0.59 -1.51 0.79 0.37 0.00 0.00 175.52 175.76 3hzb n TRP 75 N -3.84 0.00 -2.24 3.16 7.02 -0.86 -4.82 117.44 115.86 3hzb n TRP 75 Ca -0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 3hzb n TRP 75 Cb 0.61 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 29.21 3hzb n TRP 75 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3hzb s ASN 76 N -3.32 6.90 -1.45 -0.99 2.47 0.15 -2.81 114.94 115.89 3hzb s ASN 76 Ca -0.04 2.29 -0.08 0.00 0.42 0.00 0.00 52.86 55.45 3hzb s ASN 76 Cb 0.08 -2.59 0.04 0.00 -1.45 0.00 0.00 41.25 37.32 3hzb s ASN 76 CO 0.49 -0.57 0.71 0.47 -3.72 0.00 0.00 177.10 174.47 3hzb n ASP 77 N 3.46 -5.26 0.00 -4.21 8.00 -0.81 -4.84 116.55 112.89 3hzb n ASP 77 Ca 0.09 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.16 3hzb n ASP 77 Cb 0.43 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 3hzb n ASP 77 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hzb n LYS 78 N -4.17 2.57 -2.22 -1.24 4.76 -1.12 -4.25 118.16 112.48 3hzb n LYS 78 Ca -0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 3hzb n LYS 78 Cb 0.57 -0.26 -0.03 0.00 -1.84 0.00 0.00 35.03 33.48 3hzb n LYS 78 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hzb s VAL 79 N -0.37 3.39 -0.04 -0.18 1.01 -1.25 -4.57 120.40 118.38 3hzb s VAL 79 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3hzb s VAL 79 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3hzb s VAL 79 CO 0.00 0.10 0.05 -1.20 0.00 0.00 0.00 175.10 174.05 3hzb n SER 80 N 3.55 1.95 -3.50 3.32 7.64 -0.68 -1.71 113.62 124.20 3hzb n SER 80 Ca 0.09 -0.31 -0.14 0.00 1.01 0.00 0.00 58.87 59.52 3hzb n SER 80 Cb 0.43 1.03 -0.04 0.00 -1.01 0.00 0.00 64.21 64.61 3hzb n SER 80 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hzb s SER 81 N -1.56 -0.56 -0.01 6.43 1.04 -1.23 -3.05 113.70 114.76 3hzb s SER 81 Ca 0.00 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 3hzb s SER 81 Cb 0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3hzb s SER 81 CO 0.06 -0.68 0.09 -0.63 0.98 0.00 0.00 173.24 173.06 3hzb s ILE 82 N -2.13 0.05 -0.07 -1.02 1.01 -0.21 -1.35 121.20 117.48 3hzb s ILE 82 Ca -0.05 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.25 3hzb s ILE 82 Cb -0.00 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 3hzb s ILE 82 CO 0.00 -0.22 -0.24 -0.13 0.00 0.00 0.00 174.94 174.35 3hzb s ARG 83 N -0.72 2.69 -0.15 2.79 0.52 -0.54 -0.02 118.95 123.51 3hzb s ARG 83 Ca -0.08 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 3hzb s ARG 83 Cb -0.05 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 3hzb s ARG 83 CO 0.00 0.34 -0.14 0.08 0.02 0.00 0.00 175.30 175.60 3hzb s VAL 84 N -0.05 2.78 0.24 3.52 1.01 0.24 -0.39 120.40 127.75 3hzb s VAL 84 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3hzb s VAL 84 Cb -0.15 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3hzb s VAL 84 CO 0.05 0.51 0.11 0.27 0.00 0.00 0.00 175.10 176.04 3hzb s ILE 85 N 0.71 0.37 0.20 2.22 -4.36 -0.90 -1.33 121.20 118.11 3hzb s ILE 85 Ca -0.07 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.02 3hzb s ILE 85 Cb -0.15 -2.59 -0.08 0.00 1.25 0.00 0.00 42.46 40.88 3hzb s ILE 85 CO 0.02 0.00 0.95 0.00 0.24 0.00 0.00 174.94 176.14 3hzb s ALA 86 N -3.89 3.31 0.00 2.27 0.00 -1.26 -1.90 121.76 120.29 3hzb s ALA 86 Ca 0.38 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3hzb s ALA 86 Cb 0.08 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3hzb s ALA 86 CO 0.13 0.14 0.00 -1.71 0.00 0.00 0.00 175.76 174.32 3hzb n ASN 87 N 1.88 0.00 0.00 0.00 4.05 0.34 -4.80 115.26 116.73 3hzb n ASN 87 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 3hzb n ASN 87 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 3hzb n ASN 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82