#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 -4.25 2.53 0.24 -0.40 -4.98 118.33 111.47 3hzb n VAL 2 Ca 0.00 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 3hzb n VAL 2 Cb 0.00 0.67 -0.15 0.00 -1.47 0.00 0.00 33.84 32.89 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 -2.01 0.58 -0.08 1.34 -1.09 -0.93 -0.61 121.20 118.40 3hzb s ILE 3 Ca -0.00 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 3hzb s ILE 3 Cb 0.04 -0.52 0.02 0.00 -1.58 0.00 0.00 42.46 40.42 3hzb s ILE 3 CO 0.25 0.19 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.18 3hzb s THR 4 N 0.16 0.90 -0.15 2.92 2.01 -0.85 0.25 115.64 120.89 3hzb s THR 4 Ca -0.02 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3hzb s THR 4 Cb -0.07 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3hzb s THR 4 CO -0.00 0.32 -0.00 0.68 -0.69 0.00 0.00 174.62 174.93 3hzb s VAL 5 N 1.22 4.20 0.07 3.82 -7.23 -0.36 -0.89 120.40 121.23 3hzb s VAL 5 Ca -0.05 -0.25 0.07 0.00 -1.81 0.00 0.00 61.98 59.93 3hzb s VAL 5 Cb -0.14 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 3hzb s VAL 5 CO -0.02 0.51 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.84 3hzb s TYR 6 N 0.12 2.70 0.13 2.82 1.51 0.14 -1.21 117.35 123.55 3hzb s TYR 6 Ca 0.01 -0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 55.75 3hzb s TYR 6 Cb -0.13 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3hzb s TYR 6 CO 0.02 0.37 1.62 -0.22 -1.11 0.00 0.00 175.55 176.23 3hzb h LYS 7 N 4.01 0.69 -6.08 -0.62 3.64 -1.05 -0.39 116.57 116.76 3hzb h LYS 7 Ca -0.49 -0.18 -0.52 0.00 -1.27 0.00 0.00 60.65 58.20 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 0.51 0.72 -0.42 -0.51 -2.27 0.00 0.00 179.45 177.48 3hzb s ASP 8 N -6.09 4.84 0.78 4.20 1.01 -0.20 -3.31 116.67 117.90 3hzb s ASP 8 Ca -0.13 -0.85 -0.11 0.00 0.71 0.00 0.00 52.55 52.17 3hzb s ASP 8 Cb 0.10 -0.55 0.06 0.00 1.01 0.00 0.00 42.92 43.54 3hzb s ASP 8 CO 0.78 -0.60 1.09 0.00 0.21 0.00 0.00 175.17 176.64 3hzb n ASN 10 N -3.53 -3.96 -3.59 0.00 5.03 0.20 -3.59 115.26 105.83 3hzb n ASN 10 Ca 0.09 0.01 -0.21 0.00 0.87 0.00 0.00 54.58 55.34 3hzb n ASN 10 Cb 0.53 -3.12 0.07 0.00 -1.02 0.00 0.00 39.78 36.24 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 -3.91 -2.26 -4.37 3.10 4.02 -1.25 -5.02 117.16 107.48 3hzb n TYR 11 Ca -0.15 0.92 -0.19 0.00 -0.01 0.00 0.00 57.90 58.48 3hzb n TYR 11 Cb 0.60 -4.77 -0.10 0.00 -0.02 0.00 0.00 39.34 35.04 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 -3.43 1.02 0.00 -0.72 -4.23 -1.24 -5.05 115.64 101.99 3hzb s THR 12 Ca 0.18 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3hzb s THR 12 Cb -0.08 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3hzb s THR 12 CO 0.76 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 3hzb n GLY 13 N -0.52 -0.63 3.63 3.99 0.00 -1.26 -1.04 105.19 109.36 3hzb n GLY 13 Ca -0.03 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.68 1.81 -4.28 1.61 7.35 -1.26 -4.38 117.46 117.63 3hzb n PHE 14 Ca 0.00 0.53 -0.21 0.00 -0.76 0.00 0.00 57.45 57.01 3hzb n PHE 14 Cb 0.00 -2.39 -0.12 0.00 0.35 0.00 0.00 39.48 37.33 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 0.19 2.38 -0.04 -2.13 1.04 -1.26 -0.87 113.70 113.00 3hzb s SER 15 Ca 0.70 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 56.38 3hzb s SER 15 Cb -0.73 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.27 3hzb s SER 15 CO 0.50 -0.05 -0.14 -0.83 0.98 0.00 0.00 173.24 173.71 3hzb s GLY 16 N -2.35 0.79 -0.07 7.32 0.00 -0.35 -4.94 107.32 107.71 3hzb s GLY 16 Ca 0.10 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.16 3hzb s GLY 16 CO 0.05 -0.18 0.35 -0.32 0.00 0.00 0.00 173.10 173.00 3hzb s GLY 17 N 0.22 2.36 0.12 0.20 0.00 -1.26 -1.22 107.32 107.73 3hzb s GLY 17 Ca -0.06 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.41 3hzb s GLY 17 CO 0.02 0.20 -0.20 1.08 0.00 0.00 0.00 173.10 174.20 3hzb s LEU 18 N -0.52 2.33 0.37 0.66 1.43 0.14 -5.00 118.68 118.08 3hzb s LEU 18 Ca 0.21 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3hzb s LEU 18 Cb -0.15 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 3hzb s LEU 18 CO 0.09 0.04 0.06 0.42 0.23 0.00 0.00 176.35 177.20 3hzb s THR 19 N -1.34 1.16 0.15 5.49 -4.23 -1.26 -1.27 115.64 114.33 3hzb s THR 19 Ca 0.08 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.26 3hzb s THR 19 Cb -0.09 -2.66 -0.17 0.00 1.34 0.00 0.00 72.50 70.92 3hzb s THR 19 CO 0.05 0.00 0.99 -0.38 -0.54 0.00 0.00 174.62 174.73 3hzb n ILE 20 N -0.83 1.01 -0.12 2.99 2.08 -1.26 -4.75 119.36 118.47 3hzb n ILE 20 Ca -0.05 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.01 3hzb n ILE 20 Cb 0.66 -0.47 0.00 0.00 -0.75 0.00 0.00 39.64 39.08 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 1.86 0.84 3.59 7.39 0.00 -0.69 -4.97 105.19 113.21 3hzb n GLY 21 Ca 0.17 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.20 4.99 -0.34 1.61 1.01 -1.26 -0.93 116.67 119.55 3hzb s ASP 22 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 52.55 53.28 3hzb s ASP 22 Cb 0.00 -1.57 0.10 0.00 1.01 0.00 0.00 42.92 42.46 3hzb s ASP 22 CO 0.00 0.28 0.08 -0.31 0.21 0.00 0.00 175.17 175.43 3hzb s TYR 23 N -0.30 2.83 0.91 4.23 1.51 0.10 -5.02 117.35 121.61 3hzb s TYR 23 Ca 0.06 -2.47 -0.13 0.00 -1.01 0.00 0.00 57.07 53.52 3hzb s TYR 23 Cb -0.12 -2.38 0.18 0.00 -0.11 0.00 0.00 41.96 39.52 3hzb s TYR 23 CO 0.02 -0.91 1.26 0.54 -1.11 0.00 0.00 175.55 175.35 3hzb s ASN 24 N 1.14 3.45 0.20 2.29 6.03 -1.26 -0.74 114.94 126.05 3hzb s ASN 24 Ca 0.11 0.22 -0.11 0.00 -1.03 0.00 0.00 52.86 52.05 3hzb s ASN 24 Cb -0.19 -0.36 0.24 0.00 -3.03 0.00 0.00 41.25 37.91 3hzb s ASN 24 CO -0.15 -2.51 1.72 0.25 -2.03 0.00 0.00 177.10 174.38 3hzb h LEU 25 N -1.40 0.04 -0.63 3.54 6.46 -1.93 -0.88 115.31 120.50 3hzb h LEU 25 Ca -0.43 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.50 3hzb h LEU 25 Cb 1.25 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.24 3hzb h LEU 25 CO 0.41 0.04 0.31 0.00 -0.62 0.00 0.00 178.44 178.58 3hzb h ALA 26 N 1.42 0.84 -0.53 1.25 0.00 -1.92 0.13 119.26 120.46 3hzb h ALA 26 Ca 0.28 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3hzb h ALA 26 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hzb h ALA 26 CO -0.35 -0.06 -0.07 -0.09 0.00 0.00 0.00 179.25 178.68 3hzb h ARG 27 N 0.56 0.95 -0.57 0.00 2.43 -1.63 -1.67 114.38 114.44 3hzb h ARG 27 Ca 0.30 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3hzb h ARG 27 Cb 0.27 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3hzb h ARG 27 CO -0.23 0.98 0.31 -0.07 -1.51 0.00 0.00 179.97 179.45 3hzb h LEU 28 N 0.86 0.72 -1.55 3.80 3.38 -0.23 -2.36 115.31 119.93 3hzb h LEU 28 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hzb h LEU 28 Cb 0.60 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3hzb h LEU 28 CO 0.04 0.61 0.29 0.78 0.09 0.00 0.00 178.44 180.25 3hzb h ASN 29 N 0.77 0.52 0.30 -0.43 4.21 -0.41 0.12 115.58 120.66 3hzb h ASN 29 Ca 0.20 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3hzb h ASN 29 Cb 0.05 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 3hzb h ASN 29 CO -0.03 0.38 0.00 0.77 -1.29 0.00 0.00 177.43 177.26 3hzb h SER 30 N 0.61 0.00 -0.02 5.81 4.64 -0.75 0.31 113.55 124.15 3hzb h SER 30 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hzb h SER 30 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3hzb h SER 30 CO -0.03 0.00 -0.12 0.18 -0.87 0.00 0.00 176.83 175.99 3hzb n LEU 31 N -2.55 2.58 0.00 5.97 4.77 -0.07 -4.95 117.00 122.75 3hzb n LEU 31 Ca -0.01 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3hzb n LEU 31 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3hzb n LEU 31 CO 0.17 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hzb n GLY 32 N 1.27 0.77 3.69 -0.72 0.00 0.11 -4.77 105.19 105.54 3hzb n GLY 32 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.84 4.93 0.36 1.61 1.01 -0.58 -4.94 120.40 119.94 3hzb s VAL 33 Ca 0.00 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 3hzb s VAL 33 Cb 0.00 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3hzb s VAL 33 CO 0.00 0.12 0.64 -0.76 0.00 0.00 0.00 175.10 175.10 3hzb s LEU 34 N 1.54 3.93 0.59 3.92 1.43 -1.26 -2.81 118.68 126.02 3hzb s LEU 34 Ca 0.41 0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 3hzb s LEU 34 Cb -0.18 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 3hzb s LEU 34 CO 0.17 -0.32 1.13 0.21 0.23 0.00 0.00 176.35 177.76 3hzb s ASN 35 N -3.45 5.43 -1.36 2.29 3.84 -1.26 -3.61 114.94 116.82 3hzb s ASN 35 Ca 0.45 2.11 -0.20 0.00 0.21 0.00 0.00 52.86 55.43 3hzb s ASN 35 Cb -0.10 -2.57 0.03 0.00 -0.55 0.00 0.00 41.25 38.06 3hzb s ASN 35 CO 0.34 -1.41 0.39 0.47 -2.79 0.00 0.00 177.10 174.09 3hzb n ASP 36 N -1.79 -1.91 0.00 -4.21 8.00 -0.73 -4.79 116.55 111.12 3hzb n ASP 36 Ca 0.11 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3hzb n ASP 36 Cb 0.51 -1.58 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 -2.44 0.00 -4.76 -2.24 4.64 -1.24 -4.47 116.55 106.04 3hzb n ASP 37 Ca -0.20 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.80 3hzb n ASP 37 Cb 0.62 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.68 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 -0.56 2.75 0.00 5.18 1.01 -1.26 -4.60 121.20 123.72 3hzb s ILE 38 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3hzb s ILE 38 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3hzb s ILE 38 CO 0.00 0.14 0.00 -1.20 0.00 0.00 0.00 174.94 173.88 3hzb n SER 39 N 1.50 2.93 -3.61 3.58 7.64 -0.16 -1.85 113.62 123.65 3hzb n SER 39 Ca 0.03 -0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.71 3hzb n SER 39 Cb 0.41 0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 64.35 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 -1.36 -0.31 -0.07 6.43 1.04 -1.18 -0.92 113.70 117.31 3hzb s SER 40 Ca 0.00 -0.28 -0.29 0.00 0.48 0.00 0.00 55.95 55.86 3hzb s SER 40 Cb 0.00 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.71 3hzb s SER 40 CO 0.00 -0.92 0.65 -1.48 0.98 0.00 0.00 173.24 172.47 3hzb s LEU 41 N -2.81 -0.55 -0.13 2.42 2.34 -0.67 -0.69 118.68 118.59 3hzb s LEU 41 Ca 0.04 0.74 -0.06 0.00 0.06 0.00 0.00 54.13 54.91 3hzb s LEU 41 Cb 0.01 2.43 -0.04 0.00 -0.56 0.00 0.00 46.19 48.03 3hzb s LEU 41 CO -0.10 -0.56 0.09 -0.13 -1.06 0.00 0.00 176.35 174.59 3hzb s ARG 42 N -1.04 3.48 -0.22 1.48 0.52 -0.07 -1.46 118.95 121.64 3hzb s ARG 42 Ca -0.10 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3hzb s ARG 42 Cb -0.01 -3.11 0.05 0.00 0.52 0.00 0.00 34.95 32.39 3hzb s ARG 42 CO 0.09 0.63 -0.11 0.42 0.02 0.00 0.00 175.30 176.34 3hzb s ILE 43 N -0.63 1.84 0.16 1.52 -1.09 -1.26 -2.00 121.20 119.73 3hzb s ILE 43 Ca 0.12 -1.19 -0.31 0.00 -2.23 0.00 0.00 60.65 57.04 3hzb s ILE 43 Cb -0.12 -1.90 -0.08 0.00 -1.58 0.00 0.00 42.46 38.78 3hzb s ILE 43 CO 0.02 0.14 1.33 -0.89 -1.23 0.00 0.00 174.94 174.32 3hzb s THR 44 N 1.30 3.31 0.20 2.92 2.01 0.22 -4.44 115.64 121.16 3hzb s THR 44 Ca -0.03 1.01 -0.32 0.00 0.31 0.00 0.00 61.69 62.65 3hzb s THR 44 Cb -0.17 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.55 3hzb s THR 44 CO -0.08 0.12 1.36 0.00 -0.69 0.00 0.00 174.62 175.33 3hzb n GLN 45 N 3.24 1.75 0.00 4.92 10.64 -1.26 -1.62 117.38 135.05 3hzb n GLN 45 Ca 0.08 0.62 0.00 0.00 -1.83 0.00 0.00 57.00 55.88 3hzb n GLN 45 Cb 0.43 -2.25 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 3hzb n GLN 45 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hzb n GLY 46 N 2.32 0.53 3.29 2.61 0.00 -1.26 -5.07 105.19 107.61 3hzb n GLY 46 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 1.45 0.05 1.61 2.02 -0.64 -4.52 117.35 115.32 3hzb s TYR 47 Ca 0.00 -1.19 -0.21 0.00 -0.37 0.00 0.00 57.07 55.30 3hzb s TYR 47 Cb 0.00 -0.83 0.05 0.00 -0.40 0.00 0.00 41.96 40.77 3hzb s TYR 47 CO 0.00 -0.36 0.50 1.14 -1.57 0.00 0.00 175.55 175.26 3hzb s GLN 48 N -4.04 1.02 -0.13 -0.62 -2.07 -0.69 -4.75 119.66 108.40 3hzb s GLN 48 Ca 0.36 -0.28 0.02 0.00 -1.82 0.00 0.00 55.36 53.64 3hzb s GLN 48 Cb 0.08 0.46 -0.00 0.00 -1.09 0.00 0.00 33.01 32.45 3hzb s GLN 48 CO 0.12 -0.37 -0.18 0.00 -1.32 0.00 0.00 175.29 173.54 3hzb s ALA 49 N -2.52 2.41 -0.33 2.60 0.00 -0.43 -2.03 121.76 121.45 3hzb s ALA 49 Ca -0.05 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 3hzb s ALA 49 Cb -0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3hzb s ALA 49 CO -0.02 0.18 0.21 0.42 0.00 0.00 0.00 175.76 176.55 3hzb s ILE 50 N 0.48 5.08 0.08 0.00 1.01 0.79 -0.38 121.20 128.25 3hzb s ILE 50 Ca -0.12 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 3hzb s ILE 50 Cb -0.17 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3hzb s ILE 50 CO 0.05 0.01 0.50 -0.76 0.00 0.00 0.00 174.94 174.74 3hzb s LEU 51 N 1.69 4.43 -0.03 2.97 1.43 0.74 -1.72 118.68 128.19 3hzb s LEU 51 Ca 0.06 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 3hzb s LEU 51 Cb -0.17 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 3hzb s LEU 51 CO 0.09 0.22 -0.20 -0.31 0.23 0.00 0.00 176.35 176.38 3hzb s TYR 52 N -1.25 1.91 0.12 0.29 2.02 -0.73 -1.57 117.35 118.14 3hzb s TYR 52 Ca 0.31 -0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3hzb s TYR 52 Cb -0.17 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 3hzb s TYR 52 CO 0.17 -0.11 1.60 1.96 -1.57 0.00 0.00 175.55 177.61 3hzb h GLN 53 N 5.91 0.63 -6.23 -0.62 1.08 -1.24 -1.55 115.11 113.10 3hzb h GLN 53 Ca -0.36 -0.17 -0.48 0.00 -1.45 0.00 0.00 58.65 56.20 3hzb h GLN 53 Cb 1.16 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 3hzb h GLN 53 CO 0.48 0.68 -0.38 -0.51 -0.95 0.00 0.00 178.83 178.16 3hzb s ASP 54 N -6.04 5.27 0.86 1.46 1.01 -0.61 -3.56 116.67 115.06 3hzb s ASP 54 Ca -0.13 -0.59 -0.11 0.00 0.71 0.00 0.00 52.55 52.43 3hzb s ASP 54 Cb 0.10 -0.74 0.11 0.00 1.01 0.00 0.00 42.92 43.40 3hzb s ASP 54 CO 0.77 -0.57 1.09 -0.62 0.21 0.00 0.00 175.17 176.05 3hzb s ASP 55 N -4.13 3.78 -1.59 0.27 2.15 -1.26 -3.45 116.67 112.44 3hzb s ASP 55 Ca 0.47 1.55 -0.03 0.00 0.43 0.00 0.00 52.55 54.98 3hzb s ASP 55 Cb -0.05 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.33 3hzb s ASP 55 CO 0.29 -2.45 0.30 0.59 -0.17 0.00 0.00 175.17 173.73 3hzb n ASN 56 N -3.77 -5.69 -3.74 -0.34 3.02 -1.26 -2.68 115.26 100.80 3hzb n ASN 56 Ca 0.07 -0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.22 3hzb n ASN 56 Cb 0.55 -4.67 0.05 0.00 -0.61 0.00 0.00 39.78 35.10 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 -4.17 -2.53 -3.81 3.10 3.01 -1.24 -5.00 117.46 106.81 3hzb n PHE 57 Ca -0.16 0.95 -0.22 0.00 1.01 0.00 0.00 57.45 59.03 3hzb n PHE 57 Cb 0.64 -4.54 -0.05 0.00 -0.01 0.00 0.00 39.48 35.52 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 -3.45 2.18 0.01 1.37 0.00 -1.09 -5.01 107.32 101.33 3hzb s GLY 58 Ca 0.55 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 43.31 3hzb s GLY 58 CO 0.78 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 172.71 3hzb n GLY 59 N -1.40 -2.10 3.72 0.20 0.00 -1.26 -1.57 105.19 102.77 3hzb n GLY 59 Ca 0.01 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 3hzb n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hzb n ALA 60 N -0.45 0.80 -2.16 4.61 0.00 -1.26 -4.65 120.51 117.40 3hzb n ALA 60 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3hzb n ALA 60 Cb 0.02 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 3hzb n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hzb s SER 61 N -1.59 0.59 -0.02 0.00 1.04 -1.26 -1.23 113.70 111.22 3hzb s SER 61 Ca 0.80 -1.14 -0.18 0.00 0.48 0.00 0.00 55.95 55.91 3hzb s SER 61 Cb -0.35 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.02 3hzb s SER 61 CO 0.43 -0.65 0.39 0.28 0.98 0.00 0.00 173.24 174.67 3hzb s THR 62 N -3.91 0.04 -0.16 2.02 -1.32 -0.61 -4.97 115.64 106.74 3hzb s THR 62 Ca 0.20 -0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 60.25 3hzb s THR 62 Cb 0.07 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 3hzb s THR 62 CO -0.01 -0.20 0.04 -0.69 -2.21 0.00 0.00 174.62 171.55 3hzb s VAL 63 N -1.27 4.59 -0.25 5.08 1.01 -1.26 -0.18 120.40 128.11 3hzb s VAL 63 Ca -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3hzb s VAL 63 Cb -0.04 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3hzb s VAL 63 CO 0.05 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 175.02 3hzb s ILE 64 N 0.10 3.45 -0.29 2.22 -1.09 0.49 -4.97 121.20 121.11 3hzb s ILE 64 Ca 0.04 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 3hzb s ILE 64 Cb -0.12 -2.69 0.11 0.00 -1.58 0.00 0.00 42.46 38.17 3hzb s ILE 64 CO 0.01 0.25 1.09 -0.46 -1.23 0.00 0.00 174.94 174.60 3hzb n ASN 65 N 4.79 2.31 -3.55 3.58 0.23 -1.26 -1.31 115.26 120.05 3hzb n ASN 65 Ca -0.16 -2.03 -0.14 0.00 -0.53 0.00 0.00 54.58 51.72 3hzb n ASN 65 Cb 0.49 -0.08 -0.05 0.00 -2.08 0.00 0.00 39.78 38.06 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 -1.04 -0.46 0.13 0.53 1.04 -1.26 -4.91 113.70 107.73 3hzb s SER 66 Ca 0.08 0.15 -0.35 0.00 0.48 0.00 0.00 55.95 56.31 3hzb s SER 66 Cb 0.05 0.51 -0.16 0.00 0.10 0.00 0.00 66.02 66.52 3hzb s SER 66 CO 0.05 -0.77 1.22 0.47 0.98 0.00 0.00 173.24 175.20 3hzb n ASP 67 N 0.25 1.38 -4.04 7.02 8.00 -1.26 -4.66 116.55 123.24 3hzb n ASP 67 Ca -0.18 1.13 -0.32 0.00 0.71 0.00 0.00 54.79 56.14 3hzb n ASP 67 Cb 0.61 -1.19 -0.15 0.00 -0.02 0.00 0.00 41.12 40.37 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 0.18 3.97 0.15 -2.24 3.84 -0.54 -4.99 114.94 115.31 3hzb s ASN 68 Ca 0.78 -1.16 0.25 0.00 0.21 0.00 0.00 52.86 52.94 3hzb s ASN 68 Cb -0.91 -1.42 0.92 0.00 -0.55 0.00 0.00 41.25 39.30 3hzb s ASN 68 CO 0.50 -0.16 1.76 -1.54 -2.79 0.00 0.00 177.10 174.87 3hzb n SER 69 N 4.55 0.51 -3.15 -4.21 3.41 -1.26 -1.68 113.62 111.79 3hzb n SER 69 Ca -0.15 0.57 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 3hzb n SER 69 Cb 0.44 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3hzb n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hzb s LEU 71 N 2.92 3.57 0.00 0.00 1.43 -0.10 -5.00 118.68 121.50 3hzb s LEU 71 Ca 0.13 2.63 -0.19 0.00 -1.03 0.00 0.00 54.13 55.68 3hzb s LEU 71 Cb -0.08 -4.62 0.27 0.00 0.03 0.00 0.00 46.19 41.79 3hzb s LEU 71 CO -0.19 -2.02 1.09 -0.46 0.23 0.00 0.00 176.35 175.01 3hzb n ASN 72 N -1.91 -1.49 0.26 2.29 2.04 -1.26 -4.32 115.26 110.87 3hzb n ASN 72 Ca 0.16 -1.22 0.09 0.00 -0.44 0.00 0.00 54.58 53.17 3hzb n ASN 72 Cb 0.48 -0.96 0.67 0.00 -2.53 0.00 0.00 39.78 37.44 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 -2.43 0.94 -0.08 5.53 2.02 -1.94 0.40 112.91 117.36 3hzb h THR 73 Ca -0.39 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 3hzb h THR 73 Cb 1.17 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3hzb h THR 73 CO 0.26 0.02 -0.66 0.74 0.37 0.00 0.00 175.52 176.26 3hzb h THR 74 N 0.00 1.39 0.00 3.16 2.02 -2.03 -3.36 112.91 114.08 3hzb h THR 74 Ca -0.00 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.12 3hzb h THR 74 Cb 0.03 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3hzb h THR 74 CO 0.00 0.61 -1.42 0.79 0.37 0.00 0.00 175.52 175.88 3hzb n TRP 75 N -3.85 0.00 -2.12 3.16 7.02 -0.83 -4.81 117.44 116.00 3hzb n TRP 75 Ca -0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.03 3hzb n TRP 75 Cb 0.66 -0.24 -0.03 0.00 -2.42 0.00 0.00 31.31 29.27 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 -3.26 6.78 -1.46 -0.99 2.47 0.14 -2.69 114.94 115.92 3hzb s ASN 76 Ca -0.03 2.39 -0.07 0.00 0.42 0.00 0.00 52.86 55.57 3hzb s ASN 76 Cb 0.08 -2.59 0.03 0.00 -1.45 0.00 0.00 41.25 37.33 3hzb s ASN 76 CO 0.53 -0.68 0.64 0.47 -3.72 0.00 0.00 177.10 174.35 3hzb n ASP 77 N 3.84 -5.32 0.00 -4.21 8.00 -0.77 -4.84 116.55 113.25 3hzb n ASP 77 Ca 0.12 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3hzb n ASP 77 Cb 0.42 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.21 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 -4.06 2.97 -2.12 -1.24 4.76 -1.10 -4.22 118.16 113.14 3hzb n LYS 78 Ca -0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 3hzb n LYS 78 Cb 0.59 -0.34 -0.03 0.00 -1.84 0.00 0.00 35.03 33.41 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 -0.49 3.06 0.00 -0.18 1.01 -1.25 -4.57 120.40 117.98 3hzb s VAL 79 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3hzb s VAL 79 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3hzb s VAL 79 CO 0.00 0.09 0.00 -1.20 0.00 0.00 0.00 175.10 173.99 3hzb n SER 80 N 3.28 1.50 -3.50 3.32 7.64 -0.58 -1.77 113.62 123.51 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 0.41 0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 64.50 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 -1.23 -0.55 -0.01 6.43 1.04 -1.23 -2.96 113.70 115.20 3hzb s SER 81 Ca 0.00 0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 3hzb s SER 81 Cb 0.00 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 3hzb s SER 81 CO 0.00 -0.67 0.07 -0.63 0.98 0.00 0.00 173.24 172.99 3hzb s ILE 82 N -2.11 0.05 -0.09 -1.02 1.01 0.08 -1.78 121.20 117.34 3hzb s ILE 82 Ca -0.04 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3hzb s ILE 82 Cb -0.00 -0.24 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 3hzb s ILE 82 CO 0.00 -0.21 -0.24 -0.13 0.00 0.00 0.00 174.94 174.36 3hzb s ARG 83 N -0.67 2.86 -0.12 2.79 0.52 -0.70 0.01 118.95 123.64 3hzb s ARG 83 Ca -0.07 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 3hzb s ARG 83 Cb -0.05 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 3hzb s ARG 83 CO 0.00 0.23 -0.17 0.14 0.02 0.00 0.00 175.30 175.53 3hzb s VAL 84 N 0.20 2.69 0.21 3.52 -7.23 -0.11 -0.15 120.40 119.54 3hzb s VAL 84 Ca -0.14 -0.79 -0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3hzb s VAL 84 Cb -0.17 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3hzb s VAL 84 CO 0.07 0.54 0.10 0.27 -0.31 0.00 0.00 175.10 175.77 3hzb s ILE 85 N 0.36 0.26 -2.00 -0.62 -4.36 -0.86 -1.70 121.20 112.28 3hzb s ILE 85 Ca -0.14 -1.99 0.29 0.00 -0.26 0.00 0.00 60.65 58.55 3hzb s ILE 85 Cb -0.17 -2.48 0.83 0.00 1.25 0.00 0.00 42.46 41.89 3hzb s ILE 85 CO 0.07 -0.08 2.08 0.00 0.24 0.00 0.00 174.94 177.25