#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 -4.04 2.53 0.24 -0.41 -4.96 118.33 111.69 3hzb n VAL 2 Ca 0.00 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 3hzb n VAL 2 Cb 0.00 0.76 -0.15 0.00 -1.47 0.00 0.00 33.84 32.98 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 -2.30 0.26 -0.09 1.34 1.01 -0.83 -0.67 121.20 119.93 3hzb s ILE 3 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3hzb s ILE 3 Cb 0.08 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.32 3hzb s ILE 3 CO 0.47 0.09 -0.11 -0.89 0.00 0.00 0.00 174.94 174.50 3hzb s THR 4 N 0.14 1.14 -0.14 2.92 2.01 -0.82 0.48 115.64 121.37 3hzb s THR 4 Ca -0.01 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 3hzb s THR 4 Cb -0.04 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 3hzb s THR 4 CO -0.00 0.37 0.02 0.68 -0.69 0.00 0.00 174.62 175.00 3hzb s VAL 5 N 1.14 4.42 0.07 3.82 -7.23 -0.21 -0.90 120.40 121.51 3hzb s VAL 5 Ca -0.05 -0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 3hzb s VAL 5 Cb -0.14 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 3hzb s VAL 5 CO -0.02 0.52 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.89 3hzb s TYR 6 N -0.05 2.79 0.15 2.82 1.51 0.18 -1.27 117.35 123.48 3hzb s TYR 6 Ca 0.04 -0.12 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 3hzb s TYR 6 Cb -0.13 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3hzb s TYR 6 CO 0.02 0.40 1.59 -0.22 -1.11 0.00 0.00 175.55 176.23 3hzb h LYS 7 N 3.90 0.89 -6.11 -0.62 3.64 -1.06 0.08 116.57 117.29 3hzb h LYS 7 Ca -0.48 -0.31 -0.51 0.00 -1.27 0.00 0.00 60.65 58.08 3hzb h LYS 7 Cb 1.17 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 3hzb h LYS 7 CO 0.53 0.95 -0.43 -0.51 -2.27 0.00 0.00 179.45 177.72 3hzb s ASP 8 N -6.43 4.91 0.76 4.20 1.01 -0.19 -3.42 116.67 117.50 3hzb s ASP 8 Ca -0.12 -0.78 -0.11 0.00 0.71 0.00 0.00 52.55 52.25 3hzb s ASP 8 Cb 0.12 -0.62 0.05 0.00 1.01 0.00 0.00 42.92 43.47 3hzb s ASP 8 CO 0.83 -0.55 1.08 0.00 0.21 0.00 0.00 175.17 176.74 3hzb n ASN 10 N -3.40 -4.07 -3.68 0.00 5.03 0.22 -3.61 115.26 105.76 3hzb n ASN 10 Ca 0.08 -0.02 -0.23 0.00 0.87 0.00 0.00 54.58 55.28 3hzb n ASN 10 Cb 0.54 -3.24 0.05 0.00 -1.02 0.00 0.00 39.78 36.11 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 -4.01 -2.20 -4.39 3.10 4.02 -1.25 -5.01 117.16 107.42 3hzb n TYR 11 Ca -0.15 0.90 -0.19 0.00 -0.01 0.00 0.00 57.90 58.45 3hzb n TYR 11 Cb 0.61 -4.53 -0.10 0.00 -0.02 0.00 0.00 39.34 35.30 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 -3.48 0.98 0.00 -0.72 -4.23 -1.24 -5.05 115.64 101.91 3hzb s THR 12 Ca 0.24 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3hzb s THR 12 Cb -0.11 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3hzb s THR 12 CO 0.79 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 3hzb n GLY 13 N -0.57 -0.54 3.61 3.99 0.00 -1.26 -1.03 105.19 109.40 3hzb n GLY 13 Ca -0.02 -1.75 -0.47 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.57 1.64 -4.36 1.61 7.35 -1.26 -4.42 117.46 117.45 3hzb n PHE 14 Ca 0.00 0.58 -0.20 0.00 -0.76 0.00 0.00 57.45 57.06 3hzb n PHE 14 Cb 0.00 -2.35 -0.10 0.00 0.35 0.00 0.00 39.48 37.37 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 0.16 2.79 -0.02 -2.13 1.04 -1.26 -0.88 113.70 113.39 3hzb s SER 15 Ca 0.72 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 56.20 3hzb s SER 15 Cb -0.78 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.17 3hzb s SER 15 CO 0.50 -0.09 -0.05 -0.83 0.98 0.00 0.00 173.24 173.75 3hzb s GLY 16 N -3.14 0.34 -0.13 7.32 0.00 -0.40 -4.94 107.32 106.36 3hzb s GLY 16 Ca 0.22 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 3hzb s GLY 16 CO 0.08 -0.02 0.21 -0.32 0.00 0.00 0.00 173.10 173.06 3hzb s GLY 17 N 0.18 2.19 0.14 0.20 0.00 -1.26 -1.04 107.32 107.72 3hzb s GLY 17 Ca -0.02 -0.55 0.10 0.00 0.00 0.00 0.00 44.72 44.25 3hzb s GLY 17 CO -0.00 0.01 -0.23 1.08 0.00 0.00 0.00 173.10 173.96 3hzb s LEU 18 N -0.34 2.36 0.43 0.66 1.43 0.18 -5.00 118.68 118.40 3hzb s LEU 18 Ca 0.15 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3hzb s LEU 18 Cb -0.13 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3hzb s LEU 18 CO 0.04 0.10 0.06 0.42 0.23 0.00 0.00 176.35 177.19 3hzb s THR 19 N -1.40 1.05 0.17 5.49 -4.23 -1.26 -1.28 115.64 114.16 3hzb s THR 19 Ca 0.14 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.31 3hzb s THR 19 Cb -0.09 -2.44 -0.15 0.00 1.34 0.00 0.00 72.50 71.16 3hzb s THR 19 CO 0.07 0.00 1.32 -0.38 -0.54 0.00 0.00 174.62 175.08 3hzb n ILE 20 N -1.00 0.57 -0.40 2.99 2.08 -1.26 -4.72 119.36 117.62 3hzb n ILE 20 Ca -0.10 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.07 3hzb n ILE 20 Cb 0.66 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 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 2.36 0.46 3.78 7.39 0.00 -0.73 -4.97 105.19 113.48 3hzb n GLY 21 Ca 0.15 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.22 6.03 -0.39 1.61 -0.00 -1.26 -1.26 116.67 119.18 3hzb s ASP 22 Ca 0.00 0.31 0.01 0.00 -0.00 0.00 0.00 52.55 52.87 3hzb s ASP 22 Cb 0.00 -1.95 0.12 0.00 -0.00 0.00 0.00 42.92 41.09 3hzb s ASP 22 CO 0.00 0.33 0.16 -0.31 -0.00 0.00 0.00 175.17 175.35 3hzb s TYR 23 N -0.54 2.22 0.96 4.23 1.51 0.44 -5.02 117.35 121.15 3hzb s TYR 23 Ca 0.12 -2.32 -0.16 0.00 -1.01 0.00 0.00 57.07 53.70 3hzb s TYR 23 Cb -0.12 -2.04 0.20 0.00 -0.11 0.00 0.00 41.96 39.89 3hzb s TYR 23 CO 0.02 -0.84 1.32 0.54 -1.11 0.00 0.00 175.55 175.48 3hzb s ASN 24 N 0.83 3.16 0.22 2.29 2.20 -1.26 -0.82 114.94 121.56 3hzb s ASN 24 Ca 0.14 0.28 -0.07 0.00 -0.94 0.00 0.00 52.86 52.27 3hzb s ASN 24 Cb -0.21 -0.34 0.29 0.00 -2.00 0.00 0.00 41.25 38.98 3hzb s ASN 24 CO -0.10 -2.70 1.82 0.25 -2.94 0.00 0.00 177.10 173.43 3hzb h LEU 25 N -1.62 0.67 -0.76 3.54 5.85 -1.91 -1.41 115.31 119.67 3hzb h LEU 25 Ca -0.44 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.39 3hzb h LEU 25 Cb 1.24 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 3hzb h LEU 25 CO 0.39 0.43 0.41 0.00 -0.34 0.00 0.00 178.44 179.33 3hzb h ALA 26 N 1.38 1.06 -0.26 1.25 0.00 -1.92 0.95 119.26 121.72 3hzb h ALA 26 Ca 0.33 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 3hzb h ALA 26 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hzb h ALA 26 CO -0.18 0.03 -0.43 -0.09 0.00 0.00 0.00 179.25 178.58 3hzb h ARG 27 N 0.70 0.64 -0.79 0.00 2.43 -1.70 -2.01 114.38 113.65 3hzb h ARG 27 Ca 0.36 -0.35 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3hzb h ARG 27 Cb 0.34 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3hzb h ARG 27 CO -0.25 0.95 0.31 -0.07 -1.51 0.00 0.00 179.97 179.40 3hzb h LEU 28 N 0.52 1.10 -1.59 3.80 3.38 -0.35 -2.16 115.31 120.00 3hzb h LEU 28 Ca 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3hzb h LEU 28 Cb 0.96 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3hzb h LEU 28 CO 0.09 0.98 -0.17 0.78 0.09 0.00 0.00 178.44 180.21 3hzb h ASN 29 N 1.16 0.04 0.53 -0.43 4.21 -0.54 -0.89 115.58 119.66 3hzb h ASN 29 Ca 0.26 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.76 3hzb h ASN 29 Cb 0.23 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3hzb h ASN 29 CO -0.02 0.22 0.00 0.77 -1.29 0.00 0.00 177.43 177.11 3hzb h SER 30 N 0.05 0.00 -0.02 5.81 4.64 -0.69 0.01 113.55 123.36 3hzb h SER 30 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hzb h SER 30 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hzb h SER 30 CO 0.02 0.00 -0.41 0.18 -0.87 0.00 0.00 176.83 175.75 3hzb n LEU 31 N -2.34 2.01 0.00 5.97 4.77 -0.45 -4.94 117.00 122.01 3hzb n LEU 31 Ca 0.01 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 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 0.18 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3hzb n GLY 32 N 1.35 0.74 3.69 -0.72 0.00 -0.01 -4.81 105.19 105.43 3hzb n GLY 32 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.62 4.95 0.38 1.61 1.01 -0.51 -4.95 120.40 120.27 3hzb s VAL 33 Ca 0.00 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 3hzb s VAL 33 Cb 0.00 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3hzb s VAL 33 CO 0.00 0.13 0.66 -0.76 0.00 0.00 0.00 175.10 175.14 3hzb s LEU 34 N 1.46 3.88 0.66 3.92 1.43 -1.26 -2.84 118.68 125.92 3hzb s LEU 34 Ca 0.40 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 3hzb s LEU 34 Cb -0.18 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 3hzb s LEU 34 CO 0.17 -0.37 1.13 0.21 0.23 0.00 0.00 176.35 177.72 3hzb s ASN 35 N -3.62 5.01 -1.30 2.29 3.84 -1.26 -3.62 114.94 116.28 3hzb s ASN 35 Ca 0.46 2.10 -0.14 0.00 0.21 0.00 0.00 52.86 55.49 3hzb s ASN 35 Cb -0.10 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 3hzb s ASN 35 CO 0.36 -1.70 0.26 0.47 -2.79 0.00 0.00 177.10 173.70 3hzb n ASP 36 N -2.30 -1.06 0.00 -4.21 8.00 -0.81 -4.78 116.55 111.39 3hzb n ASP 36 Ca 0.11 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3hzb n ASP 36 Cb 0.51 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 -2.31 0.00 -4.76 -2.24 4.64 -1.24 -4.43 116.55 106.21 3hzb n ASP 37 Ca -0.22 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.78 3hzb n ASP 37 Cb 0.59 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.65 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 -0.60 2.52 0.00 5.18 1.01 -1.26 -4.59 121.20 123.45 3hzb s ILE 38 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3hzb s ILE 38 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3hzb s ILE 38 CO 0.00 0.09 0.00 -1.20 0.00 0.00 0.00 174.94 173.83 3hzb n SER 39 N 1.64 3.55 -3.71 3.58 7.64 0.01 -2.12 113.62 124.21 3hzb n SER 39 Ca 0.04 -0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 3hzb n SER 39 Cb 0.40 0.75 -0.04 0.00 -1.01 0.00 0.00 64.21 64.32 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 -1.46 -0.27 -0.08 6.43 1.04 -1.19 -0.78 113.70 117.38 3hzb s SER 40 Ca 0.00 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 55.69 3hzb s SER 40 Cb 0.00 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.76 3hzb s SER 40 CO 0.00 -1.02 0.74 -1.48 0.98 0.00 0.00 173.24 172.46 3hzb s LEU 41 N -2.86 -0.61 -0.11 2.42 2.34 -0.46 -0.64 118.68 118.75 3hzb s LEU 41 Ca 0.08 0.71 -0.05 0.00 0.06 0.00 0.00 54.13 54.93 3hzb s LEU 41 Cb -0.01 2.42 -0.04 0.00 -0.56 0.00 0.00 46.19 48.01 3hzb s LEU 41 CO -0.05 -0.54 0.07 -0.13 -1.06 0.00 0.00 176.35 174.64 3hzb s ARG 42 N -1.08 3.33 -0.18 1.48 0.52 -0.08 -1.19 118.95 121.74 3hzb s ARG 42 Ca -0.09 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 3hzb s ARG 42 Cb -0.00 -3.03 0.03 0.00 0.52 0.00 0.00 34.95 32.47 3hzb s ARG 42 CO 0.08 0.67 -0.13 0.42 0.02 0.00 0.00 175.30 176.36 3hzb s ILE 43 N -0.76 1.73 0.30 1.52 -1.09 -1.26 -1.94 121.20 119.69 3hzb s ILE 43 Ca 0.13 -0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 57.34 3hzb s ILE 43 Cb -0.12 -1.70 -0.09 0.00 -1.58 0.00 0.00 42.46 38.97 3hzb s ILE 43 CO 0.03 0.31 1.09 -0.89 -1.23 0.00 0.00 174.94 174.25 3hzb s THR 44 N 1.39 3.51 0.19 2.92 2.01 0.16 -4.38 115.64 121.44 3hzb s THR 44 Ca 0.01 1.47 -0.32 0.00 0.31 0.00 0.00 61.69 63.16 3hzb s THR 44 Cb -0.15 -3.91 -0.15 0.00 0.01 0.00 0.00 72.50 68.30 3hzb s THR 44 CO -0.10 0.31 1.17 0.00 -0.69 0.00 0.00 174.62 175.31 3hzb n GLN 45 N 0.99 1.25 0.00 4.92 6.02 -1.26 -2.22 117.38 127.09 3hzb n GLN 45 Ca -0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 3hzb n GLN 45 Cb 0.45 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.77 3hzb n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hzb n GLY 46 N 1.95 0.33 3.28 1.08 0.00 -1.26 -5.07 105.19 105.51 3hzb n GLY 46 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 1.38 0.01 1.61 2.02 -0.94 -0.81 117.35 118.61 3hzb s TYR 47 Ca 0.00 -0.96 -0.01 0.00 -0.37 0.00 0.00 57.07 55.73 3hzb s TYR 47 Cb 0.00 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 3hzb s TYR 47 CO 0.00 -0.12 0.00 -0.65 -1.57 0.00 0.00 175.55 173.21 3hzb s GLN 48 N -3.88 0.22 -0.16 -0.62 -0.21 0.05 -4.75 119.66 110.31 3hzb s GLN 48 Ca 0.26 -0.37 -0.00 0.00 0.02 0.00 0.00 55.36 55.27 3hzb s GLN 48 Cb 0.06 0.08 -0.00 0.00 1.00 0.00 0.00 33.01 34.15 3hzb s GLN 48 CO 0.06 -0.04 -0.14 0.00 -2.12 0.00 0.00 175.29 173.05 3hzb s ALA 49 N -0.93 2.54 -0.33 6.09 0.00 -0.50 -1.52 121.76 127.10 3hzb s ALA 49 Ca -0.10 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 3hzb s ALA 49 Cb -0.06 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 3hzb s ALA 49 CO -0.00 -0.09 0.23 0.42 0.00 0.00 0.00 175.76 176.31 3hzb s ILE 50 N 0.91 5.23 -0.01 0.00 1.01 0.11 -0.06 121.20 128.39 3hzb s ILE 50 Ca -0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 3hzb s ILE 50 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3hzb s ILE 50 CO -0.01 0.02 0.30 -0.76 0.00 0.00 0.00 174.94 174.48 3hzb s LEU 51 N 1.72 4.39 0.01 2.97 1.43 -0.02 -1.02 118.68 128.16 3hzb s LEU 51 Ca 0.06 0.67 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 3hzb s LEU 51 Cb -0.17 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 3hzb s LEU 51 CO 0.10 0.29 -0.21 -0.31 0.23 0.00 0.00 176.35 176.45 3hzb s TYR 52 N -1.21 1.87 0.18 0.29 2.02 -0.64 -1.83 117.35 118.02 3hzb s TYR 52 Ca 0.25 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 3hzb s TYR 52 Cb -0.14 -1.16 0.06 0.00 -0.40 0.00 0.00 41.96 40.33 3hzb s TYR 52 CO 0.13 0.03 1.57 1.96 -1.57 0.00 0.00 175.55 177.68 3hzb h GLN 53 N 5.24 0.92 -6.16 -0.62 1.08 -1.13 -1.93 115.11 112.52 3hzb h GLN 53 Ca -0.41 -0.39 -0.50 0.00 -1.45 0.00 0.00 58.65 55.89 3hzb h GLN 53 Cb 1.15 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.51 3hzb h GLN 53 CO 0.46 1.05 -0.41 -0.51 -0.95 0.00 0.00 178.83 178.47 3hzb s ASP 54 N -6.74 5.03 0.94 1.46 1.01 -0.58 -3.83 116.67 113.96 3hzb s ASP 54 Ca -0.11 -0.72 -0.12 0.00 0.71 0.00 0.00 52.55 52.32 3hzb s ASP 54 Cb 0.12 -0.65 0.15 0.00 1.01 0.00 0.00 42.92 43.56 3hzb s ASP 54 CO 0.86 -0.57 1.09 -0.62 0.21 0.00 0.00 175.17 176.14 3hzb s ASP 55 N -4.08 3.06 -1.41 0.27 -1.08 -1.26 -3.50 116.67 108.68 3hzb s ASP 55 Ca 0.46 1.55 -0.11 0.00 -0.52 0.00 0.00 52.55 53.92 3hzb s ASP 55 Cb -0.03 -2.21 0.09 0.00 -1.46 0.00 0.00 42.92 39.30 3hzb s ASP 55 CO 0.27 -2.91 0.63 0.59 0.52 0.00 0.00 175.17 174.27 3hzb n ASN 56 N -4.06 -3.99 -3.68 -0.34 3.02 -1.26 -2.37 115.26 102.57 3hzb n ASN 56 Ca 0.07 -0.55 -0.26 0.00 -0.03 0.00 0.00 54.58 53.81 3hzb n ASN 56 Cb 0.55 -3.26 0.07 0.00 -0.61 0.00 0.00 39.78 36.52 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 -2.74 -3.77 3.10 3.01 -1.24 -5.01 117.46 106.65 3hzb n PHE 57 Ca 0.01 0.99 -0.23 0.00 1.01 0.00 0.00 57.45 59.23 3hzb n PHE 57 Cb 0.53 -4.77 -0.03 0.00 -0.01 0.00 0.00 39.48 35.20 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 -3.32 2.24 0.00 1.37 0.00 -1.00 -5.00 107.32 101.62 3hzb s GLY 58 Ca 0.61 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3hzb s GLY 58 CO 0.76 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 172.66 3hzb n GLY 59 N -1.54 -1.82 3.72 0.20 0.00 -1.26 -1.53 105.19 102.96 3hzb n GLY 59 Ca 0.01 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.24 2.15 0.13 4.61 0.00 -1.26 -4.67 121.76 121.47 3hzb s ALA 60 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3hzb s ALA 60 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3hzb s ALA 60 CO 0.00 -1.86 0.01 -1.54 0.00 0.00 0.00 175.76 172.37 3hzb s SER 61 N -1.85 0.67 -0.04 0.00 1.04 -1.26 -1.01 113.70 111.25 3hzb s SER 61 Ca 0.77 -1.14 -0.16 0.00 0.48 0.00 0.00 55.95 55.89 3hzb s SER 61 Cb -0.32 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.04 3hzb s SER 61 CO 0.44 -0.64 0.35 0.28 0.98 0.00 0.00 173.24 174.66 3hzb s THR 62 N -3.88 0.04 -0.19 2.02 -1.32 -0.76 -4.99 115.64 106.56 3hzb s THR 62 Ca 0.20 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.29 3hzb s THR 62 Cb 0.07 -0.63 -0.02 0.00 -1.51 0.00 0.00 72.50 70.41 3hzb s THR 62 CO -0.00 -0.19 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.49 3hzb s VAL 63 N -1.02 3.65 -0.31 5.08 1.01 -1.26 -0.84 120.40 126.71 3hzb s VAL 63 Ca -0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3hzb s VAL 63 Cb -0.04 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3hzb s VAL 63 CO 0.04 0.44 0.18 -0.63 0.00 0.00 0.00 175.10 175.13 3hzb s ILE 64 N 1.01 4.94 -1.92 2.22 -1.09 0.92 -4.96 121.20 122.33 3hzb s ILE 64 Ca 0.01 -0.19 0.22 0.00 -2.23 0.00 0.00 60.65 58.46 3hzb s ILE 64 Cb -0.15 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 3hzb s ILE 64 CO 0.01 0.12 1.06 0.59 -1.23 0.00 0.00 174.94 175.49 3hzb n ASN 65 N 5.03 1.92 -3.70 3.58 5.03 -1.26 -1.41 115.26 124.44 3hzb n ASN 65 Ca -0.14 -1.46 -0.09 0.00 0.87 0.00 0.00 54.58 53.76 3hzb n ASN 65 Cb 0.50 0.54 -0.02 0.00 -1.02 0.00 0.00 39.78 39.78 3hzb n ASN 65 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3hzb s SER 66 N -2.54 -0.36 0.11 6.41 1.04 -1.26 -4.93 113.70 112.16 3hzb s SER 66 Ca 0.17 -0.40 -0.36 0.00 0.48 0.00 0.00 55.95 55.85 3hzb s SER 66 Cb 0.18 0.67 -0.17 0.00 0.10 0.00 0.00 66.02 66.80 3hzb s SER 66 CO 0.61 -1.19 1.25 0.47 0.98 0.00 0.00 173.24 175.36 3hzb n ASP 67 N -0.42 1.37 -4.00 7.02 8.00 -1.26 -4.65 116.55 122.61 3hzb n ASP 67 Ca -0.09 1.13 -0.31 0.00 0.71 0.00 0.00 54.79 56.23 3hzb n ASP 67 Cb 0.61 -1.17 -0.16 0.00 -0.02 0.00 0.00 41.12 40.39 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 0.27 3.80 0.11 -2.24 3.84 -0.33 -4.98 114.94 115.41 3hzb s ASN 68 Ca 0.81 -1.10 0.24 0.00 0.21 0.00 0.00 52.86 53.02 3hzb s ASN 68 Cb -0.95 -1.31 0.94 0.00 -0.55 0.00 0.00 41.25 39.38 3hzb s ASN 68 CO 0.49 -0.18 1.74 -1.54 -2.79 0.00 0.00 177.10 174.83 3hzb n SER 69 N 4.61 0.34 -3.15 -4.21 3.41 -1.26 -1.36 113.62 112.01 3hzb n SER 69 Ca -0.14 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.07 3hzb n SER 69 Cb 0.45 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 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 2.93 3.63 0.00 0.00 1.43 0.04 -5.01 118.68 121.70 3hzb s LEU 71 Ca 0.08 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.57 3hzb s LEU 71 Cb -0.09 -4.58 0.24 0.00 0.03 0.00 0.00 46.19 41.79 3hzb s LEU 71 CO -0.15 -1.83 1.13 -0.46 0.23 0.00 0.00 176.35 175.26 3hzb n ASN 72 N -1.72 -0.89 -0.26 2.29 2.04 -1.26 -4.27 115.26 111.19 3hzb n ASN 72 Ca 0.15 -1.29 0.13 0.00 -0.44 0.00 0.00 54.58 53.12 3hzb n ASN 72 Cb 0.48 -0.94 0.40 0.00 -2.53 0.00 0.00 39.78 37.19 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 -2.15 0.83 -0.05 5.53 2.02 -1.95 0.45 112.91 117.59 3hzb h THR 73 Ca -0.39 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.40 3hzb h THR 73 Cb 1.13 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3hzb h THR 73 CO 0.27 0.12 -0.70 0.74 0.37 0.00 0.00 175.52 176.32 3hzb h THR 74 N 0.65 1.42 0.00 3.16 2.02 -2.03 -3.36 112.91 114.76 3hzb h THR 74 Ca 0.44 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 65.42 3hzb h THR 74 Cb 0.74 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3hzb h THR 74 CO -0.19 0.65 -1.68 0.79 0.37 0.00 0.00 175.52 175.45 3hzb n TRP 75 N -3.80 0.00 -2.10 3.16 7.02 -0.64 -4.82 117.44 116.27 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 0.68 -0.34 -0.03 0.00 -2.42 0.00 0.00 31.31 29.20 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 -3.75 6.75 -1.49 -0.99 2.47 0.15 -2.66 114.94 115.42 3hzb s ASN 76 Ca -0.05 2.47 -0.13 0.00 0.42 0.00 0.00 52.86 55.57 3hzb s ASN 76 Cb 0.10 -2.60 0.07 0.00 -1.45 0.00 0.00 41.25 37.37 3hzb s ASN 76 CO 0.64 -0.68 1.04 0.47 -3.72 0.00 0.00 177.10 174.86 3hzb n ASP 77 N 3.42 -5.30 0.00 -4.21 8.00 -0.90 -4.85 116.55 112.71 3hzb n ASP 77 Ca 0.10 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.89 3hzb n ASP 77 Cb 0.41 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 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 -4.78 1.74 -2.31 -1.24 4.76 -1.09 -4.31 118.16 110.94 3hzb n LYS 78 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 3hzb n LYS 78 Cb 0.53 -0.15 -0.03 0.00 -1.84 0.00 0.00 35.03 33.54 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 -0.22 3.57 0.00 -0.18 1.01 -1.25 -4.57 120.40 118.76 3hzb s VAL 79 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3hzb s VAL 79 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3hzb s VAL 79 CO 0.00 0.13 0.00 -1.20 0.00 0.00 0.00 175.10 174.03 3hzb n SER 80 N 3.34 2.44 -3.52 3.32 7.64 -0.73 -1.93 113.62 124.18 3hzb n SER 80 Ca 0.08 -0.24 -0.16 0.00 1.01 0.00 0.00 58.87 59.56 3hzb n SER 80 Cb 0.44 0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 64.56 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 -1.45 -0.58 0.00 6.43 1.04 -1.24 -2.79 113.70 115.11 3hzb s SER 81 Ca 0.00 0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 3hzb s SER 81 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3hzb s SER 81 CO 0.00 -0.69 0.01 -0.63 0.98 0.00 0.00 173.24 172.91 3hzb s ILE 82 N -1.94 0.04 -0.10 -1.02 1.01 -0.00 -1.62 121.20 117.57 3hzb s ILE 82 Ca -0.08 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3hzb s ILE 82 Cb -0.01 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.33 3hzb s ILE 82 CO 0.03 -0.20 -0.18 -0.60 0.00 0.00 0.00 174.94 173.99 3hzb s ARG 83 N -0.60 2.42 -0.12 2.79 3.52 -0.19 -0.42 118.95 126.35 3hzb s ARG 83 Ca -0.07 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 54.88 3hzb s ARG 83 Cb -0.04 -1.95 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 3hzb s ARG 83 CO -0.00 0.03 -0.10 0.54 -0.81 0.00 0.00 175.30 174.96 3hzb s VAL 84 N 0.71 3.37 0.15 7.11 0.11 -0.39 0.04 120.40 131.49 3hzb s VAL 84 Ca -0.12 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 3hzb s VAL 84 Cb -0.16 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 3hzb s VAL 84 CO 0.03 0.53 -0.00 0.27 -3.33 0.00 0.00 175.10 172.60 3hzb s ILE 85 N 0.06 0.58 0.67 7.04 -4.36 -0.58 -1.77 121.20 122.84 3hzb s ILE 85 Ca -0.03 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 3hzb s ILE 85 Cb -0.14 -2.01 -0.00 0.00 1.25 0.00 0.00 42.46 41.56 3hzb s ILE 85 CO 0.04 -0.56 1.06 0.00 0.24 0.00 0.00 174.94 175.71 3hzb s ALA 86 N -3.72 2.71 -2.19 2.27 0.00 -1.26 -0.77 121.76 118.80 3hzb s ALA 86 Ca 0.21 0.14 0.19 0.00 0.00 0.00 0.00 51.96 52.50 3hzb s ALA 86 Cb 0.06 -3.18 0.53 0.00 0.00 0.00 0.00 23.12 20.53 3hzb s ALA 86 CO 0.02 -1.11 1.43 0.27 0.00 0.00 0.00 175.76 176.37 3hzb n ASN 87 N -2.89 2.71 0.00 0.00 0.23 0.01 -4.63 115.26 110.69 3hzb n ASN 87 Ca 0.08 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 3hzb n ASN 87 Cb 0.53 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 3hzb n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hzb n GLY 88 N 1.34 2.43 3.77 4.83 0.00 -1.26 -5.02 105.19 111.27 3hzb n GLY 88 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3hzb n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hzb s THR 89 N -2.63 3.20 0.00 2.61 -4.23 -1.26 -5.24 115.64 108.09 3hzb s THR 89 Ca 0.00 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 3hzb s THR 89 Cb 0.00 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3hzb s THR 89 CO 0.00 -0.28 0.41 1.07 -0.54 0.00 0.00 174.62 175.28