#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 0.21 -3.95 2.53 0.24 -0.90 -4.84 118.33 111.62 3hzb n VAL 2 Ca 0.00 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 3hzb n VAL 2 Cb 0.00 -0.03 -0.15 0.00 -1.47 0.00 0.00 33.84 32.19 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 -3.10 0.14 -0.08 1.34 1.01 -0.89 -0.08 121.20 119.54 3hzb s ILE 3 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.74 3hzb s ILE 3 Cb 0.15 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.47 3hzb s ILE 3 CO 0.70 0.07 -0.14 -0.89 0.00 0.00 0.00 174.94 174.68 3hzb s THR 4 N 0.32 1.32 -0.14 2.92 2.01 -0.76 0.30 115.64 121.62 3hzb s THR 4 Ca -0.03 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 3hzb s THR 4 Cb -0.05 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 3hzb s THR 4 CO -0.01 0.40 -0.03 0.68 -0.69 0.00 0.00 174.62 174.98 3hzb s VAL 5 N 0.66 4.02 0.07 3.82 -7.23 -0.53 -0.99 120.40 120.23 3hzb s VAL 5 Ca -0.14 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 3hzb s VAL 5 Cb -0.16 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 3hzb s VAL 5 CO 0.04 0.51 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.97 3hzb s TYR 6 N 0.10 2.86 0.12 2.82 1.51 0.77 -1.42 117.35 124.11 3hzb s TYR 6 Ca 0.00 -0.08 -0.14 0.00 -1.01 0.00 0.00 57.07 55.84 3hzb s TYR 6 Cb -0.13 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 3hzb s TYR 6 CO 0.02 0.43 1.52 -0.22 -1.11 0.00 0.00 175.55 176.20 3hzb h LYS 7 N 3.78 0.76 -6.14 -0.62 3.64 -0.93 -0.17 116.57 116.88 3hzb h LYS 7 Ca -0.48 -0.30 -0.51 0.00 -1.27 0.00 0.00 60.65 58.09 3hzb h LYS 7 Cb 1.17 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 3hzb h LYS 7 CO 0.55 0.91 -0.43 -0.51 -2.27 0.00 0.00 179.45 177.70 3hzb s ASP 8 N -6.39 5.01 0.77 4.20 1.01 -0.33 -3.35 116.67 117.58 3hzb s ASP 8 Ca -0.12 -0.71 -0.11 0.00 0.71 0.00 0.00 52.55 52.31 3hzb s ASP 8 Cb 0.10 -0.69 0.05 0.00 1.01 0.00 0.00 42.92 43.39 3hzb s ASP 8 CO 0.82 -0.52 1.08 0.00 0.21 0.00 0.00 175.17 176.76 3hzb n ASN 10 N -3.47 -4.42 -3.69 0.00 3.02 0.20 -3.71 115.26 103.19 3hzb n ASN 10 Ca 0.08 -0.09 -0.21 0.00 -0.03 0.00 0.00 54.58 54.33 3hzb n ASN 10 Cb 0.53 -3.45 0.03 0.00 -0.61 0.00 0.00 39.78 36.29 3hzb n ASN 10 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hzb n TYR 11 N -4.05 -1.92 -4.32 3.10 4.02 -1.25 -5.01 117.16 107.74 3hzb n TYR 11 Ca -0.12 0.84 -0.17 0.00 -0.01 0.00 0.00 57.90 58.43 3hzb n TYR 11 Cb 0.61 -4.40 -0.10 0.00 -0.02 0.00 0.00 39.34 35.43 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 -3.66 0.44 0.00 -0.72 -4.23 -1.24 -5.06 115.64 101.17 3hzb s THR 12 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3hzb s THR 12 Cb -0.00 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3hzb s THR 12 CO 0.81 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 3hzb n GLY 13 N -0.51 -0.86 3.63 3.99 0.00 -1.26 -1.18 105.19 108.99 3hzb n GLY 13 Ca 0.00 -1.68 -0.47 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.94 1.80 -4.32 1.61 7.35 -1.26 -4.38 117.46 117.32 3hzb n PHE 14 Ca 0.00 0.52 -0.21 0.00 -0.76 0.00 0.00 57.45 57.00 3hzb n PHE 14 Cb 0.00 -2.39 -0.11 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 0.27 2.60 -0.03 -2.13 1.04 -1.26 -0.67 113.70 113.52 3hzb s SER 15 Ca 0.73 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 56.32 3hzb s SER 15 Cb -0.75 -0.15 -0.00 0.00 0.10 0.00 0.00 66.02 65.22 3hzb s SER 15 CO 0.49 -0.06 -0.13 -0.83 0.98 0.00 0.00 173.24 173.69 3hzb s GLY 16 N -2.69 0.69 -0.15 7.32 0.00 -0.51 -4.95 107.32 107.03 3hzb s GLY 16 Ca 0.15 -0.51 -0.14 0.00 0.00 0.00 0.00 44.72 44.23 3hzb s GLY 16 CO 0.06 -0.27 0.29 -0.32 0.00 0.00 0.00 173.10 172.86 3hzb s GLY 17 N 0.01 2.22 0.09 0.20 0.00 -1.26 -1.45 107.32 107.13 3hzb s GLY 17 Ca -0.01 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.36 3hzb s GLY 17 CO 0.01 0.40 -0.26 1.08 0.00 0.00 0.00 173.10 174.33 3hzb s LEU 18 N 0.37 2.30 0.00 0.66 1.43 0.15 -5.00 118.68 118.59 3hzb s LEU 18 Ca 0.17 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3hzb s LEU 18 Cb -0.13 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 3hzb s LEU 18 CO 0.04 0.21 0.04 0.35 0.23 0.00 0.00 176.35 177.22 3hzb n THR 19 N 1.27 0.00 -1.64 5.49 -2.24 -1.26 -2.10 114.28 113.80 3hzb n THR 19 Ca -0.17 -1.82 -0.47 0.00 -2.27 0.00 0.00 64.05 59.32 3hzb n THR 19 Cb 0.52 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3hzb n THR 19 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3hzb n ILE 20 N -0.87 0.57 -0.16 2.28 2.08 -1.26 -4.61 119.36 117.38 3hzb n ILE 20 Ca -0.12 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.05 3hzb n ILE 20 Cb 0.48 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.11 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 2.49 0.46 3.52 7.39 0.00 -0.73 -4.96 105.19 113.35 3hzb n GLY 21 Ca 0.15 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.02 4.58 -0.33 1.61 1.01 -1.26 -0.58 116.67 120.68 3hzb s ASP 22 Ca 0.00 -0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.17 3hzb s ASP 22 Cb 0.00 -1.44 0.10 0.00 1.01 0.00 0.00 42.92 42.59 3hzb s ASP 22 CO 0.00 0.27 0.06 -0.31 0.21 0.00 0.00 175.17 175.39 3hzb s TYR 23 N -0.23 3.17 0.91 4.23 1.51 0.21 -5.00 117.35 122.14 3hzb s TYR 23 Ca 0.03 -2.62 -0.14 0.00 -1.01 0.00 0.00 57.07 53.32 3hzb s TYR 23 Cb -0.13 -2.55 0.15 0.00 -0.11 0.00 0.00 41.96 39.32 3hzb s TYR 23 CO 0.03 -0.93 1.26 0.54 -1.11 0.00 0.00 175.55 175.34 3hzb s ASN 24 N 1.11 3.62 0.31 2.29 6.03 -1.26 -0.76 114.94 126.27 3hzb s ASN 24 Ca 0.10 0.49 0.03 0.00 -1.03 0.00 0.00 52.86 52.44 3hzb s ASN 24 Cb -0.19 -0.72 0.60 0.00 -3.03 0.00 0.00 41.25 37.92 3hzb s ASN 24 CO -0.13 -2.44 1.89 0.25 -2.03 0.00 0.00 177.10 174.65 3hzb h LEU 25 N -1.43 0.85 -0.40 3.54 5.85 -1.93 -1.15 115.31 120.64 3hzb h LEU 25 Ca -0.45 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3hzb h LEU 25 Cb 1.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3hzb h LEU 25 CO 0.49 0.51 0.16 0.00 -0.34 0.00 0.00 178.44 179.26 3hzb h ALA 26 N 1.54 0.48 -0.45 1.25 0.00 -1.92 0.12 119.26 120.27 3hzb h ALA 26 Ca 0.42 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 3hzb h ALA 26 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hzb h ALA 26 CO -0.18 -0.22 -0.12 -0.09 0.00 0.00 0.00 179.25 178.64 3hzb h ARG 27 N 0.34 0.83 -0.47 0.00 2.43 -1.63 -1.36 114.38 114.51 3hzb h ARG 27 Ca 0.18 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3hzb h ARG 27 Cb 0.13 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hzb h ARG 27 CO -0.16 0.91 0.26 -0.07 -1.51 0.00 0.00 179.97 179.39 3hzb h LEU 28 N 0.75 0.59 -1.73 3.80 3.38 -0.66 -2.09 115.31 119.35 3hzb h LEU 28 Ca 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hzb h LEU 28 Cb 0.62 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hzb h LEU 28 CO 0.04 0.52 -0.11 0.78 0.09 0.00 0.00 178.44 179.76 3hzb h ASN 29 N 0.62 0.03 0.55 -0.43 4.21 -0.42 -0.05 115.58 120.09 3hzb h ASN 29 Ca 0.17 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3hzb h ASN 29 Cb 0.06 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3hzb h ASN 29 CO -0.03 0.14 0.00 0.77 -1.29 0.00 0.00 177.43 177.03 3hzb h SER 30 N 0.03 0.00 -0.07 5.81 4.64 -0.53 0.12 113.55 123.54 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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hzb h SER 30 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 3hzb n LEU 31 N -2.44 2.82 0.00 5.97 4.77 -0.15 -4.95 117.00 123.01 3hzb n LEU 31 Ca 0.01 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3hzb n LEU 31 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hzb n LEU 31 CO 0.19 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3hzb n GLY 32 N 1.19 0.81 3.70 -0.72 0.00 0.42 -4.80 105.19 105.79 3hzb n GLY 32 Ca 0.13 0.00 -0.42 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 -3.13 4.89 0.38 1.61 1.01 -0.48 -4.93 120.40 119.75 3hzb s VAL 33 Ca 0.00 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 3hzb s VAL 33 Cb 0.00 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3hzb s VAL 33 CO 0.00 0.13 0.61 -0.76 0.00 0.00 0.00 175.10 175.08 3hzb s LEU 34 N 1.33 3.90 0.56 3.92 1.43 -1.26 -2.77 118.68 125.80 3hzb s LEU 34 Ca 0.46 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.92 3hzb s LEU 34 Cb -0.19 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 3hzb s LEU 34 CO 0.22 -0.39 1.11 0.21 0.23 0.00 0.00 176.35 177.73 3hzb s ASN 35 N -4.07 5.67 -1.44 2.29 3.84 -1.26 -3.63 114.94 116.35 3hzb s ASN 35 Ca 0.42 2.09 -0.11 0.00 0.21 0.00 0.00 52.86 55.47 3hzb s ASN 35 Cb -0.10 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 3hzb s ASN 35 CO 0.38 -1.25 0.21 0.47 -2.79 0.00 0.00 177.10 174.12 3hzb n ASP 36 N -1.53 -0.59 0.00 -4.21 8.00 -0.70 -4.79 116.55 112.73 3hzb n ASP 36 Ca 0.11 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3hzb n ASP 36 Cb 0.51 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 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 -2.63 0.30 -4.77 -2.24 4.64 -1.24 -4.39 116.55 106.23 3hzb n ASP 37 Ca -0.26 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.74 3hzb n ASP 37 Cb 0.65 0.05 -0.02 0.00 -1.04 0.00 0.00 41.12 40.76 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 -0.58 2.64 0.00 5.18 -1.09 -1.26 -4.60 121.20 121.49 3hzb s ILE 38 Ca 0.00 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 3hzb s ILE 38 Cb 0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 3hzb s ILE 38 CO 0.00 0.14 0.00 -1.20 -1.23 0.00 0.00 174.94 172.65 3hzb n SER 39 N 1.08 3.37 -3.76 3.58 7.64 -0.09 -1.90 113.62 123.55 3hzb n SER 39 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 3hzb n SER 39 Cb 0.41 0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 64.22 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 -1.42 -0.23 -0.09 6.43 1.04 -1.16 -0.55 113.70 117.72 3hzb s SER 40 Ca 0.00 -0.51 -0.31 0.00 0.48 0.00 0.00 55.95 55.61 3hzb s SER 40 Cb 0.00 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.77 3hzb s SER 40 CO 0.00 -1.04 0.77 -1.48 0.98 0.00 0.00 173.24 172.47 3hzb s LEU 41 N -2.88 -0.59 -0.14 2.42 2.34 -0.54 -0.16 118.68 119.13 3hzb s LEU 41 Ca 0.10 0.67 -0.06 0.00 0.06 0.00 0.00 54.13 54.89 3hzb s LEU 41 Cb -0.01 2.36 -0.04 0.00 -0.56 0.00 0.00 46.19 47.94 3hzb s LEU 41 CO -0.03 -0.52 0.09 -0.13 -1.06 0.00 0.00 176.35 174.70 3hzb s ARG 42 N -1.10 3.55 -0.20 1.48 0.52 -0.16 -1.37 118.95 121.67 3hzb s ARG 42 Ca -0.08 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 3hzb s ARG 42 Cb -0.00 -3.14 0.04 0.00 0.52 0.00 0.00 34.95 32.37 3hzb s ARG 42 CO 0.07 0.59 -0.14 0.42 0.02 0.00 0.00 175.30 176.27 3hzb s ILE 43 N -0.52 1.85 0.20 1.52 -1.09 -1.26 -1.82 121.20 120.07 3hzb s ILE 43 Ca 0.11 -1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 57.16 3hzb s ILE 43 Cb -0.12 -1.84 -0.08 0.00 -1.58 0.00 0.00 42.46 38.84 3hzb s ILE 43 CO 0.02 0.27 1.24 -0.89 -1.23 0.00 0.00 174.94 174.35 3hzb s THR 44 N 1.32 3.40 0.19 2.92 2.01 0.88 -4.44 115.64 121.92 3hzb s THR 44 Ca -0.00 1.18 -0.32 0.00 0.31 0.00 0.00 61.69 62.85 3hzb s THR 44 Cb -0.16 -3.75 -0.15 0.00 0.01 0.00 0.00 72.50 68.45 3hzb s THR 44 CO -0.09 0.19 1.21 1.67 -0.69 0.00 0.00 174.62 176.90 3hzb n GLN 45 N 2.46 1.33 0.00 4.92 7.27 -1.26 -1.49 117.38 130.61 3hzb n GLN 45 Ca 0.05 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.59 3hzb n GLN 45 Cb 0.44 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.09 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 2.03 0.40 3.38 1.69 0.00 -1.26 -5.04 105.19 106.39 3hzb n GLY 46 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.10 1.76 0.05 1.61 2.02 -0.56 0.11 117.35 120.25 3hzb s TYR 47 Ca 0.00 -0.88 -0.23 0.00 -0.37 0.00 0.00 57.07 55.59 3hzb s TYR 47 Cb 0.00 -1.05 0.06 0.00 -0.40 0.00 0.00 41.96 40.56 3hzb s TYR 47 CO 0.00 0.05 0.54 1.14 -1.57 0.00 0.00 175.55 175.71 3hzb s GLN 48 N -3.84 1.06 -0.12 -0.62 -2.07 -0.56 -4.60 119.66 108.91 3hzb s GLN 48 Ca 0.31 -0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 3hzb s GLN 48 Cb 0.06 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.45 3hzb s GLN 48 CO 0.11 -0.39 -0.13 0.00 -1.32 0.00 0.00 175.29 173.57 3hzb s ALA 49 N -2.46 2.65 -0.30 2.60 0.00 -0.50 -1.72 121.76 122.03 3hzb s ALA 49 Ca -0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 3hzb s ALA 49 Cb -0.01 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 3hzb s ALA 49 CO -0.02 0.28 0.15 0.42 0.00 0.00 0.00 175.76 176.60 3hzb s ILE 50 N 0.22 4.65 0.19 0.00 1.01 0.64 -0.47 121.20 127.44 3hzb s ILE 50 Ca -0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 3hzb s ILE 50 Cb -0.15 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 3hzb s ILE 50 CO 0.05 0.10 0.51 -0.76 0.00 0.00 0.00 174.94 174.85 3hzb s LEU 51 N 1.63 4.23 -0.02 2.97 1.43 0.16 -1.68 118.68 127.39 3hzb s LEU 51 Ca 0.05 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 3hzb s LEU 51 Cb -0.17 -3.48 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3hzb s LEU 51 CO 0.06 0.00 -0.13 -0.31 0.23 0.00 0.00 176.35 176.21 3hzb s TYR 52 N -1.69 1.25 0.20 0.29 2.02 -0.56 -2.42 117.35 116.44 3hzb s TYR 52 Ca 0.43 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.77 3hzb s TYR 52 Cb -0.12 -0.84 0.13 0.00 -0.40 0.00 0.00 41.96 40.73 3hzb s TYR 52 CO 0.21 -0.08 1.64 1.96 -1.57 0.00 0.00 175.55 177.72 3hzb h GLN 53 N 6.07 0.94 -6.08 -0.62 1.08 -1.24 -1.88 115.11 113.39 3hzb h GLN 53 Ca -0.33 -0.33 -0.53 0.00 -1.45 0.00 0.00 58.65 56.01 3hzb h GLN 53 Cb 1.17 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.46 3hzb h GLN 53 CO 0.49 0.99 -0.47 -0.51 -0.95 0.00 0.00 178.83 178.37 3hzb s ASP 54 N -6.66 4.78 0.88 1.46 1.01 -0.41 -3.69 116.67 114.04 3hzb s ASP 54 Ca -0.11 -0.81 -0.11 0.00 0.71 0.00 0.00 52.55 52.23 3hzb s ASP 54 Cb 0.13 -0.65 0.12 0.00 1.01 0.00 0.00 42.92 43.53 3hzb s ASP 54 CO 0.85 -0.46 1.09 -0.62 0.21 0.00 0.00 175.17 176.24 3hzb s ASP 55 N -3.95 3.56 -1.49 0.27 2.15 -1.26 -3.20 116.67 112.74 3hzb s ASP 55 Ca 0.42 1.64 -0.04 0.00 0.43 0.00 0.00 52.55 55.00 3hzb s ASP 55 Cb -0.01 -2.31 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 3hzb s ASP 55 CO 0.24 -2.61 0.37 0.59 -0.17 0.00 0.00 175.17 173.60 3hzb n ASN 56 N -3.88 -5.35 -3.05 -0.34 3.02 -1.26 -2.38 115.26 102.03 3hzb n ASN 56 Ca 0.08 -0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.22 3hzb n ASN 56 Cb 0.54 -4.39 0.04 0.00 -0.61 0.00 0.00 39.78 35.37 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 -4.15 -2.10 -2.98 3.10 0.99 -1.23 -5.00 117.46 106.09 3hzb n PHE 57 Ca -0.13 0.60 -0.18 0.00 -0.00 0.00 0.00 57.45 57.75 3hzb n PHE 57 Cb 0.62 -4.53 0.02 0.00 -1.00 0.00 0.00 39.48 34.59 3hzb n PHE 57 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3hzb s GLY 58 N -2.83 1.91 0.00 1.37 0.00 -1.00 -4.97 107.32 101.80 3hzb s GLY 58 Ca 0.35 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3hzb s GLY 58 CO 0.43 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.67 3hzb n GLY 59 N -1.95 -1.42 3.71 0.20 0.00 -1.26 -1.29 105.19 103.18 3hzb n GLY 59 Ca 0.09 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.37 1.91 0.17 4.61 0.00 -1.26 -4.66 121.76 121.16 3hzb s ALA 60 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3hzb s ALA 60 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3hzb s ALA 60 CO 0.00 -2.18 -0.01 -1.12 0.00 0.00 0.00 175.76 172.46 3hzb s SER 61 N -2.50 1.23 0.06 0.00 0.01 -1.26 -1.41 113.70 109.83 3hzb s SER 61 Ca 0.69 -1.16 -0.25 0.00 1.31 0.00 0.00 55.95 56.55 3hzb s SER 61 Cb -0.25 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.16 3hzb s SER 61 CO 0.52 -0.55 0.59 0.28 0.41 0.00 0.00 173.24 174.48 3hzb s THR 62 N -3.64 0.01 -0.12 1.44 -1.32 -1.02 -4.98 115.64 106.01 3hzb s THR 62 Ca 0.23 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 60.59 3hzb s THR 62 Cb 0.06 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3hzb s THR 62 CO 0.03 -0.06 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.64 3hzb s VAL 63 N -2.55 3.73 -0.37 5.08 1.01 -1.26 -0.67 120.40 125.38 3hzb s VAL 63 Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hzb s VAL 63 Cb -0.01 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.87 3hzb s VAL 63 CO -0.02 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.10 3hzb s ILE 64 N -0.04 3.09 -0.61 2.22 -1.09 0.38 -4.94 121.20 120.21 3hzb s ILE 64 Ca 0.00 -1.88 0.13 0.00 -2.23 0.00 0.00 60.65 56.67 3hzb s ILE 64 Cb -0.13 -3.03 0.38 0.00 -1.58 0.00 0.00 42.46 38.10 3hzb s ILE 64 CO 0.03 -0.50 1.31 -0.46 -1.23 0.00 0.00 174.94 174.09 3hzb n ASN 65 N 4.56 3.27 -3.49 3.58 0.23 -1.26 -1.41 115.26 120.74 3hzb n ASN 65 Ca -0.05 -2.40 -0.14 0.00 -0.53 0.00 0.00 54.58 51.46 3hzb n ASN 65 Cb 0.42 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.37 -0.57 0.11 0.53 1.04 -1.26 -4.94 113.70 107.24 3hzb s SER 66 Ca 0.30 0.39 -0.35 0.00 0.48 0.00 0.00 55.95 56.77 3hzb s SER 66 Cb 0.20 0.52 -0.17 0.00 0.10 0.00 0.00 66.02 66.67 3hzb s SER 66 CO 0.13 -0.69 1.09 0.47 0.98 0.00 0.00 173.24 175.22 3hzb n ASP 67 N 0.37 0.71 -3.95 7.02 8.00 -1.26 -4.67 116.55 122.77 3hzb n ASP 67 Ca -0.16 1.14 -0.30 0.00 0.71 0.00 0.00 54.79 56.17 3hzb n ASP 67 Cb 0.60 -1.10 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 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 -0.03 3.72 0.11 -2.24 3.84 -0.47 -4.98 114.94 114.89 3hzb s ASN 68 Ca 0.79 -1.10 0.24 0.00 0.21 0.00 0.00 52.86 53.00 3hzb s ASN 68 Cb -1.00 -1.18 0.93 0.00 -0.55 0.00 0.00 41.25 39.45 3hzb s ASN 68 CO 0.53 -0.21 1.74 -1.54 -2.79 0.00 0.00 177.10 174.82 3hzb n SER 69 N 4.68 0.37 -3.15 -4.21 3.41 -1.26 -1.47 113.62 111.99 3hzb n SER 69 Ca -0.13 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 3hzb n SER 69 Cb 0.45 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 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 5.34 4.87 -4.74 0.00 4.77 0.29 -4.99 117.00 122.54 3hzb n LEU 71 Ca 0.00 0.89 -0.30 0.00 -0.03 0.00 0.00 56.01 56.57 3hzb n LEU 71 Cb 0.55 -1.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.37 3hzb n LEU 71 CO -0.11 -1.15 0.73 0.54 -1.33 0.00 0.00 177.39 176.07 3hzb s ASN 72 N -1.12 1.74 0.45 -1.43 6.03 -1.26 -4.32 114.94 115.03 3hzb s ASN 72 Ca 0.75 0.43 0.17 0.00 -1.03 0.00 0.00 52.86 53.19 3hzb s ASN 72 Cb -0.42 -0.56 1.12 0.00 -3.03 0.00 0.00 41.25 38.37 3hzb s ASN 72 CO 0.47 -3.60 1.95 0.74 -2.03 0.00 0.00 177.10 174.63 3hzb h THR 73 N -2.23 0.80 -0.03 0.54 2.02 -1.94 0.42 112.91 112.49 3hzb h THR 73 Ca -0.44 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.48 3hzb h THR 73 Cb 1.26 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3hzb h THR 73 CO 0.34 0.06 -0.65 0.74 0.37 0.00 0.00 175.52 176.38 3hzb h THR 74 N 0.32 1.43 0.00 3.16 2.02 -2.03 -3.37 112.91 114.45 3hzb h THR 74 Ca 0.33 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3hzb h THR 74 Cb 0.83 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3hzb h THR 74 CO -0.09 0.62 -1.13 0.79 0.37 0.00 0.00 175.52 176.09 3hzb n TRP 75 N -3.81 0.00 -2.03 3.16 7.02 -0.55 -4.84 117.44 116.39 3hzb n TRP 75 Ca -0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 3hzb n TRP 75 Cb 0.64 -0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 29.36 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 -2.67 6.68 -1.51 -0.99 2.47 0.14 -2.57 114.94 116.49 3hzb s ASN 76 Ca -0.01 2.50 -0.13 0.00 0.42 0.00 0.00 52.86 55.64 3hzb s ASN 76 Cb 0.06 -2.59 0.07 0.00 -1.45 0.00 0.00 41.25 37.34 3hzb s ASN 76 CO 0.35 -0.76 1.02 0.47 -3.72 0.00 0.00 177.10 174.46 3hzb n ASP 77 N 4.00 -5.05 0.00 -4.21 8.00 -0.80 -4.84 116.55 113.65 3hzb n ASP 77 Ca 0.13 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.89 3hzb n ASP 77 Cb 0.40 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 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 -4.74 3.00 -2.07 -1.24 4.76 -1.06 -4.32 118.16 112.48 3hzb n LYS 78 Ca 0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 3hzb n LYS 78 Cb 0.53 -0.36 -0.03 0.00 -1.84 0.00 0.00 35.03 33.34 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 -0.38 3.07 -0.05 -0.18 1.01 -1.25 -4.57 120.40 118.05 3hzb s VAL 79 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.74 3hzb s VAL 79 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3hzb s VAL 79 CO 0.00 0.05 0.07 -1.20 0.00 0.00 0.00 175.10 174.02 3hzb n SER 80 N 4.17 2.61 -3.50 3.32 7.64 -0.71 -1.72 113.62 125.42 3hzb n SER 80 Ca 0.13 -0.24 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 3hzb n SER 80 Cb 0.41 1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 64.62 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 -1.83 -0.59 0.01 6.43 1.04 -1.21 -3.04 113.70 114.51 3hzb s SER 81 Ca -0.00 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 3hzb s SER 81 Cb 0.02 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3hzb s SER 81 CO 0.10 -0.67 0.08 -0.63 0.98 0.00 0.00 173.24 173.10 3hzb s ILE 82 N -1.89 0.09 -0.06 -1.02 1.01 0.06 -1.50 121.20 117.89 3hzb s ILE 82 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3hzb s ILE 82 Cb -0.00 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.08 3hzb s ILE 82 CO 0.03 -0.43 -0.08 -0.13 0.00 0.00 0.00 174.94 174.32 3hzb s ARG 83 N -1.47 1.33 -0.21 2.79 0.52 -0.68 0.65 118.95 121.87 3hzb s ARG 83 Ca -0.15 -0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.73 3hzb s ARG 83 Cb -0.08 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.14 3hzb s ARG 83 CO 0.00 -0.07 0.07 0.08 0.02 0.00 0.00 175.30 175.40 3hzb s VAL 84 N 0.95 4.59 0.17 3.52 1.01 0.26 -0.26 120.40 130.64 3hzb s VAL 84 Ca -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3hzb s VAL 84 Cb -0.15 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3hzb s VAL 84 CO 0.00 0.41 0.00 0.27 0.00 0.00 0.00 175.10 175.78 3hzb s ILE 85 N 0.87 0.64 0.62 2.22 -4.36 -0.70 -1.77 121.20 118.73 3hzb s ILE 85 Ca 0.04 -1.97 -0.18 0.00 -0.26 0.00 0.00 60.65 58.27 3hzb s ILE 85 Cb -0.14 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.46 3hzb s ILE 85 CO 0.02 -0.49 1.24 0.00 0.24 0.00 0.00 174.94 175.95 3hzb s ALA 86 N -3.68 2.45 -0.22 2.27 0.00 -1.26 -1.50 121.76 119.82 3hzb s ALA 86 Ca 0.23 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3hzb s ALA 86 Cb 0.06 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3hzb s ALA 86 CO 0.03 -1.38 0.56 -1.71 0.00 0.00 0.00 175.76 173.26