#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 -4.36 2.53 0.24 -0.48 -4.94 118.33 111.32 3hzb n VAL 2 Ca 0.00 -0.39 -0.18 0.00 -2.04 0.00 0.00 64.34 61.73 3hzb n VAL 2 Cb 0.00 0.16 -0.15 0.00 -1.47 0.00 0.00 33.84 32.39 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 -3.20 0.70 -0.07 1.34 -1.09 -0.98 -0.76 121.20 117.13 3hzb s ILE 3 Ca -0.06 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3hzb s ILE 3 Cb 0.12 -0.59 0.02 0.00 -1.58 0.00 0.00 42.46 40.43 3hzb s ILE 3 CO 0.75 0.19 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.72 3hzb s THR 4 N -0.23 0.61 -0.12 2.92 2.01 -0.85 0.21 115.64 120.19 3hzb s THR 4 Ca 0.03 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 3hzb s THR 4 Cb -0.04 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3hzb s THR 4 CO -0.00 0.27 0.03 0.68 -0.69 0.00 0.00 174.62 174.91 3hzb s VAL 5 N 1.42 4.56 0.10 3.82 -7.23 -0.30 -1.14 120.40 121.63 3hzb s VAL 5 Ca -0.03 -0.14 0.08 0.00 -1.81 0.00 0.00 61.98 60.09 3hzb s VAL 5 Cb -0.13 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 3hzb s VAL 5 CO -0.03 0.56 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.83 3hzb s TYR 6 N -0.47 2.54 0.09 2.82 1.51 0.31 -1.18 117.35 122.97 3hzb s TYR 6 Ca 0.09 -0.26 -0.19 0.00 -1.01 0.00 0.00 57.07 55.70 3hzb s TYR 6 Cb -0.12 -1.38 -0.08 0.00 -0.11 0.00 0.00 41.96 40.27 3hzb s TYR 6 CO 0.02 0.35 1.56 -0.22 -1.11 0.00 0.00 175.55 176.15 3hzb h LYS 7 N 3.95 0.40 -6.19 -0.62 3.64 -1.13 0.32 116.57 116.94 3hzb h LYS 7 Ca -0.49 -0.11 -0.49 0.00 -1.27 0.00 0.00 60.65 58.29 3hzb h LYS 7 Cb 1.16 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3hzb h LYS 7 CO 0.46 0.53 -0.38 -0.51 -2.27 0.00 0.00 179.45 177.29 3hzb s ASP 8 N -5.83 5.10 0.70 4.20 1.01 -0.47 -3.22 116.67 118.16 3hzb s ASP 8 Ca -0.14 -0.71 -0.12 0.00 0.71 0.00 0.00 52.55 52.29 3hzb s ASP 8 Cb 0.07 -0.61 0.02 0.00 1.01 0.00 0.00 42.92 43.42 3hzb s ASP 8 CO 0.73 -0.64 1.08 0.00 0.21 0.00 0.00 175.17 176.56 3hzb n ASN 10 N -2.95 -3.39 -3.59 0.00 5.03 0.17 -3.71 115.26 106.81 3hzb n ASN 10 Ca 0.09 0.04 -0.20 0.00 0.87 0.00 0.00 54.58 55.37 3hzb n ASN 10 Cb 0.53 -2.50 0.06 0.00 -1.02 0.00 0.00 39.78 36.85 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 -3.78 -2.06 -4.37 3.10 4.02 -1.25 -5.02 117.16 107.81 3hzb n TYR 11 Ca -0.11 0.89 -0.18 0.00 -0.01 0.00 0.00 57.90 58.49 3hzb n TYR 11 Cb 0.54 -4.69 -0.10 0.00 -0.02 0.00 0.00 39.34 35.06 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 -3.52 0.82 0.00 -0.72 -4.23 -1.24 -5.06 115.64 101.69 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 -0.02 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hzb s THR 12 CO 0.78 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 3hzb n GLY 13 N -0.54 -0.98 3.61 3.99 0.00 -1.26 -1.37 105.19 108.64 3hzb n GLY 13 Ca -0.01 -1.66 -0.49 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.05 1.69 -4.40 1.61 7.35 -1.26 -4.42 117.46 116.98 3hzb n PHE 14 Ca 0.00 0.55 -0.24 0.00 -0.76 0.00 0.00 57.45 57.00 3hzb n PHE 14 Cb 0.00 -2.38 -0.11 0.00 0.35 0.00 0.00 39.48 37.34 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 0.39 3.15 -0.04 -2.13 1.04 -1.26 -1.00 113.70 113.85 3hzb s SER 15 Ca 0.78 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 56.31 3hzb s SER 15 Cb -0.83 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.08 3hzb s SER 15 CO 0.47 0.03 -0.08 -0.83 0.98 0.00 0.00 173.24 173.81 3hzb s GLY 16 N -2.91 0.55 -0.13 7.32 0.00 -0.32 -4.93 107.32 106.91 3hzb s GLY 16 Ca 0.21 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.57 3hzb s GLY 16 CO 0.10 0.14 0.28 -0.32 0.00 0.00 0.00 173.10 173.29 3hzb s GLY 17 N 0.54 2.24 0.19 0.20 0.00 -1.26 -1.14 107.32 108.08 3hzb s GLY 17 Ca -0.09 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.28 3hzb s GLY 17 CO 0.01 0.22 -0.22 1.08 0.00 0.00 0.00 173.10 174.18 3hzb s LEU 18 N -0.09 2.45 0.41 0.66 1.43 0.13 -5.00 118.68 118.67 3hzb s LEU 18 Ca 0.17 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3hzb s LEU 18 Cb -0.13 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3hzb s LEU 18 CO 0.05 0.08 0.09 0.42 0.23 0.00 0.00 176.35 177.22 3hzb s THR 19 N -1.82 0.85 0.16 5.49 -4.23 -1.26 -1.38 115.64 113.46 3hzb s THR 19 Ca 0.20 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.38 3hzb s THR 19 Cb -0.07 -2.42 -0.15 0.00 1.34 0.00 0.00 72.50 71.19 3hzb s THR 19 CO 0.10 0.00 1.26 -0.38 -0.54 0.00 0.00 174.62 175.06 3hzb n ILE 20 N -0.93 0.65 -0.16 2.99 2.08 -1.26 -4.66 119.36 118.07 3hzb n ILE 20 Ca -0.08 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.07 3hzb n ILE 20 Cb 0.66 -0.97 0.00 0.00 -0.75 0.00 0.00 39.64 38.57 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 2.23 0.59 3.64 7.39 0.00 -0.41 -4.96 105.19 113.68 3hzb n GLY 21 Ca 0.15 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.29 5.45 -0.37 1.61 1.01 -1.26 -0.61 116.67 121.20 3hzb s ASP 22 Ca 0.00 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.38 3hzb s ASP 22 Cb 0.00 -1.82 0.11 0.00 1.01 0.00 0.00 42.92 42.22 3hzb s ASP 22 CO 0.00 0.24 0.12 -0.31 0.21 0.00 0.00 175.17 175.43 3hzb s TYR 23 N -0.06 2.93 0.98 4.23 1.51 0.98 -5.01 117.35 122.92 3hzb s TYR 23 Ca 0.05 -2.65 -0.16 0.00 -1.01 0.00 0.00 57.07 53.30 3hzb s TYR 23 Cb -0.12 -2.48 0.21 0.00 -0.11 0.00 0.00 41.96 39.46 3hzb s TYR 23 CO 0.01 -0.88 1.32 0.54 -1.11 0.00 0.00 175.55 175.44 3hzb s ASN 24 N 0.82 2.94 0.24 2.29 6.03 -1.26 -0.97 114.94 125.02 3hzb s ASN 24 Ca 0.12 0.26 -0.05 0.00 -1.03 0.00 0.00 52.86 52.17 3hzb s ASN 24 Cb -0.20 -0.29 0.38 0.00 -3.03 0.00 0.00 41.25 38.10 3hzb s ASN 24 CO -0.10 -2.84 1.82 0.25 -2.03 0.00 0.00 177.10 174.20 3hzb h LEU 25 N -1.72 0.71 -0.43 3.54 6.46 -1.93 -1.20 115.31 120.73 3hzb h LEU 25 Ca -0.44 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.41 3hzb h LEU 25 Cb 1.23 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 3hzb h LEU 25 CO 0.36 0.42 0.17 0.00 -0.62 0.00 0.00 178.44 178.77 3hzb h ALA 26 N 1.44 0.53 -0.51 1.25 0.00 -1.92 0.12 119.26 120.17 3hzb h ALA 26 Ca 0.39 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 3hzb h ALA 26 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hzb h ALA 26 CO -0.23 -0.21 -0.03 -0.09 0.00 0.00 0.00 179.25 178.69 3hzb h ARG 27 N 0.35 0.88 -0.44 0.00 2.43 -1.69 -1.19 114.38 114.72 3hzb h ARG 27 Ca 0.20 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3hzb h ARG 27 Cb 0.17 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3hzb h ARG 27 CO -0.19 0.90 0.15 -0.07 -1.51 0.00 0.00 179.97 179.25 3hzb h LEU 28 N 0.81 0.64 -1.71 3.80 3.38 -0.64 -2.40 115.31 119.19 3hzb h LEU 28 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hzb h LEU 28 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hzb h LEU 28 CO 0.03 0.66 0.17 0.78 0.09 0.00 0.00 178.44 180.18 3hzb h ASN 29 N 0.58 0.32 0.45 -0.43 4.21 -0.40 0.12 115.58 120.43 3hzb h ASN 29 Ca 0.14 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3hzb h ASN 29 Cb 0.25 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3hzb h ASN 29 CO -0.01 0.24 0.00 -1.54 -1.29 0.00 0.00 177.43 174.84 3hzb n SER 30 N -4.49 0.58 -0.68 5.81 3.41 -0.48 -0.74 113.62 117.03 3hzb n SER 30 Ca 0.01 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 3hzb n SER 30 Cb 0.08 -0.79 0.05 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 -2.18 2.39 0.00 1.04 4.77 -0.07 -4.95 117.00 118.01 3hzb n LEU 31 Ca 0.01 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3hzb n LEU 31 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hzb n LEU 31 CO 0.15 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3hzb n GLY 32 N 1.20 0.85 3.69 -0.72 0.00 0.08 -4.82 105.19 105.48 3hzb n GLY 32 Ca 0.11 0.00 -0.42 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 -2.81 4.75 0.38 1.61 1.01 -0.62 -4.94 120.40 119.80 3hzb s VAL 33 Ca 0.00 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 3hzb s VAL 33 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3hzb s VAL 33 CO 0.00 0.03 0.64 -0.76 0.00 0.00 0.00 175.10 175.01 3hzb s LEU 34 N 1.85 3.89 0.60 3.92 1.43 -1.26 -2.80 118.68 126.30 3hzb s LEU 34 Ca 0.50 0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.10 3hzb s LEU 34 Cb -0.19 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3hzb s LEU 34 CO 0.20 -0.38 1.12 0.21 0.23 0.00 0.00 176.35 177.73 3hzb s ASN 35 N -3.87 5.46 -1.33 2.29 3.04 -1.26 -3.67 114.94 115.58 3hzb s ASN 35 Ca 0.44 2.09 -0.15 0.00 0.04 0.00 0.00 52.86 55.27 3hzb s ASN 35 Cb -0.10 -2.57 0.02 0.00 -1.54 0.00 0.00 41.25 37.06 3hzb s ASN 35 CO 0.38 -1.40 0.29 0.47 -3.04 0.00 0.00 177.10 173.80 3hzb n ASP 36 N -1.81 -1.25 0.00 -4.21 8.00 -0.69 -4.78 116.55 111.81 3hzb n ASP 36 Ca 0.11 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3hzb n ASP 36 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 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 -2.39 0.00 -4.76 -2.24 4.64 -1.24 -4.44 116.55 106.12 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 0.61 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.67 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 2.47 0.00 5.18 1.01 -1.26 -4.57 121.20 123.42 3hzb s ILE 38 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.07 3hzb s ILE 38 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3hzb s ILE 38 CO 0.00 0.08 0.00 -1.20 0.00 0.00 0.00 174.94 173.82 3hzb n SER 39 N 1.65 3.98 -3.72 3.58 7.64 0.09 -1.82 113.62 125.03 3hzb n SER 39 Ca 0.05 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 3hzb n SER 39 Cb 0.40 0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 64.31 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 -1.68 -0.17 -0.08 6.43 1.04 -1.19 -0.66 113.70 117.39 3hzb s SER 40 Ca 0.00 -0.46 -0.28 0.00 0.48 0.00 0.00 55.95 55.69 3hzb s SER 40 Cb 0.00 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.67 3hzb s SER 40 CO 0.00 -0.89 0.65 -1.48 0.98 0.00 0.00 173.24 172.50 3hzb s LEU 41 N -2.85 -0.53 -0.18 2.42 2.34 -0.57 -0.53 118.68 118.79 3hzb s LEU 41 Ca 0.06 0.77 -0.08 0.00 0.06 0.00 0.00 54.13 54.94 3hzb s LEU 41 Cb 0.02 2.40 -0.04 0.00 -0.56 0.00 0.00 46.19 48.00 3hzb s LEU 41 CO -0.08 -0.54 0.11 -0.13 -1.06 0.00 0.00 176.35 174.65 3hzb s ARG 42 N -0.95 3.95 -0.23 1.48 0.52 -0.29 -1.41 118.95 122.02 3hzb s ARG 42 Ca -0.09 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3hzb s ARG 42 Cb -0.01 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.20 3hzb s ARG 42 CO 0.08 0.39 -0.12 0.42 0.02 0.00 0.00 175.30 176.10 3hzb s ILE 43 N 0.07 2.49 0.21 1.52 -1.09 -1.26 -2.02 121.20 121.12 3hzb s ILE 43 Ca 0.08 -1.08 -0.30 0.00 -2.23 0.00 0.00 60.65 57.12 3hzb s ILE 43 Cb -0.12 -2.23 -0.08 0.00 -1.58 0.00 0.00 42.46 38.45 3hzb s ILE 43 CO -0.00 0.28 1.19 -0.89 -1.23 0.00 0.00 174.94 174.29 3hzb s THR 44 N 1.28 3.52 0.14 2.92 2.01 0.06 -4.44 115.64 121.12 3hzb s THR 44 Ca 0.00 1.33 -0.35 0.00 0.31 0.00 0.00 61.69 62.98 3hzb s THR 44 Cb -0.16 -3.85 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 3hzb s THR 44 CO -0.07 0.23 1.30 1.67 -0.69 0.00 0.00 174.62 177.06 3hzb n GLN 45 N 2.21 1.31 0.00 4.92 7.27 -1.26 -1.62 117.38 130.20 3hzb n GLN 45 Ca 0.03 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3hzb n GLN 45 Cb 0.45 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 31.02 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 2.39 0.40 3.31 1.69 0.00 -1.25 -4.94 105.19 106.79 3hzb n GLY 46 Ca 0.16 0.00 -0.16 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 1.49 -0.00 1.61 2.02 -0.64 0.14 117.35 119.96 3hzb s TYR 47 Ca 0.00 -1.15 -0.23 0.00 -0.37 0.00 0.00 57.07 55.32 3hzb s TYR 47 Cb 0.00 -0.87 0.05 0.00 -0.40 0.00 0.00 41.96 40.74 3hzb s TYR 47 CO 0.00 -0.31 0.50 1.14 -1.57 0.00 0.00 175.55 175.31 3hzb s GLN 48 N -4.01 0.92 -0.13 -0.62 -2.07 -0.58 -4.51 119.66 108.66 3hzb s GLN 48 Ca 0.36 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.82 3hzb s GLN 48 Cb 0.08 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.40 3hzb s GLN 48 CO 0.12 -0.30 -0.13 0.00 -1.32 0.00 0.00 175.29 173.66 3hzb s ALA 49 N -1.72 2.61 -0.35 2.60 0.00 -0.57 -2.07 121.76 122.27 3hzb s ALA 49 Ca -0.10 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 3hzb s ALA 49 Cb -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3hzb s ALA 49 CO 0.04 0.26 0.21 0.42 0.00 0.00 0.00 175.76 176.69 3hzb s ILE 50 N 0.32 4.89 0.06 0.00 1.01 0.31 -0.56 121.20 127.25 3hzb s ILE 50 Ca -0.11 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 3hzb s ILE 50 Cb -0.16 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 3hzb s ILE 50 CO 0.06 -0.07 0.45 -0.76 0.00 0.00 0.00 174.94 174.63 3hzb s LEU 51 N 1.64 4.42 -0.01 2.97 1.43 0.02 -1.54 118.68 127.62 3hzb s LEU 51 Ca 0.05 0.98 0.07 0.00 -1.03 0.00 0.00 54.13 54.19 3hzb s LEU 51 Cb -0.18 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 3hzb s LEU 51 CO 0.08 0.23 -0.21 -0.31 0.23 0.00 0.00 176.35 176.37 3hzb s TYR 52 N -1.25 1.90 0.17 0.29 2.02 -0.55 -1.61 117.35 118.32 3hzb s TYR 52 Ca 0.30 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 3hzb s TYR 52 Cb -0.16 -1.21 0.05 0.00 -0.40 0.00 0.00 41.96 40.24 3hzb s TYR 52 CO 0.16 -0.02 1.64 1.96 -1.57 0.00 0.00 175.55 177.73 3hzb h GLN 53 N 5.52 0.96 -6.12 -0.62 1.08 -1.13 -1.96 115.11 112.84 3hzb h GLN 53 Ca -0.40 -0.28 -0.51 0.00 -1.45 0.00 0.00 58.65 56.00 3hzb h GLN 53 Cb 1.14 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 3hzb h GLN 53 CO 0.47 0.95 -0.43 -0.51 -0.95 0.00 0.00 178.83 178.36 3hzb s ASP 54 N -6.41 4.92 0.91 1.46 1.01 -0.39 -3.67 116.67 114.51 3hzb s ASP 54 Ca -0.12 -0.78 -0.11 0.00 0.71 0.00 0.00 52.55 52.25 3hzb s ASP 54 Cb 0.13 -0.63 0.14 0.00 1.01 0.00 0.00 42.92 43.57 3hzb s ASP 54 CO 0.83 -0.55 1.09 -0.62 0.21 0.00 0.00 175.17 176.13 3hzb s ASP 55 N -4.04 3.28 -1.43 0.27 2.15 -1.26 -3.36 116.67 112.28 3hzb s ASP 55 Ca 0.45 1.58 -0.07 0.00 0.43 0.00 0.00 52.55 54.94 3hzb s ASP 55 Cb -0.02 -2.25 0.04 0.00 -0.30 0.00 0.00 42.92 40.39 3hzb s ASP 55 CO 0.26 -2.78 0.58 0.59 -0.17 0.00 0.00 175.17 173.65 3hzb n ASN 56 N -3.98 -5.00 -3.78 -0.34 3.02 -1.26 -2.40 115.26 101.52 3hzb n ASN 56 Ca 0.07 -0.35 -0.27 0.00 -0.03 0.00 0.00 54.58 54.00 3hzb n ASN 56 Cb 0.55 -4.07 0.05 0.00 -0.61 0.00 0.00 39.78 35.69 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 -4.27 -2.52 -3.76 3.10 3.01 -1.24 -4.99 117.46 106.78 3hzb n PHE 57 Ca -0.06 0.95 -0.22 0.00 1.01 0.00 0.00 57.45 59.13 3hzb n PHE 57 Cb 0.58 -4.44 -0.04 0.00 -0.01 0.00 0.00 39.48 35.57 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 -3.37 2.01 0.00 1.37 0.00 -1.01 -5.00 107.32 101.32 3hzb s GLY 58 Ca 0.60 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3hzb s GLY 58 CO 0.79 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.82 3hzb n GLY 59 N -1.41 -1.99 3.74 0.20 0.00 -1.26 -1.26 105.19 103.21 3hzb n GLY 59 Ca 0.01 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.06 2.34 0.09 4.61 0.00 -1.26 -4.68 121.76 121.80 3hzb s ALA 60 Ca 0.00 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.79 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 -1.50 -0.03 -1.54 0.00 0.00 0.00 175.76 172.69 3hzb s SER 61 N -2.06 0.86 -0.09 0.00 1.04 -1.26 -1.03 113.70 111.17 3hzb s SER 61 Ca 0.73 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 3hzb s SER 61 Cb -0.27 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.03 3hzb s SER 61 CO 0.40 -0.55 0.36 0.28 0.98 0.00 0.00 173.24 174.72 3hzb s THR 62 N -3.76 0.02 -0.18 2.02 -1.32 -0.63 -4.98 115.64 106.81 3hzb s THR 62 Ca 0.13 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.32 3hzb s THR 62 Cb 0.06 -0.57 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 3hzb s THR 62 CO -0.05 -0.10 0.17 -0.69 -2.21 0.00 0.00 174.62 171.74 3hzb s VAL 63 N -0.44 5.39 -0.27 5.08 1.01 -1.26 -0.80 120.40 129.12 3hzb s VAL 63 Ca -0.06 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3hzb s VAL 63 Cb -0.04 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.87 3hzb s VAL 63 CO 0.02 0.45 -0.02 -0.63 0.00 0.00 0.00 175.10 174.93 3hzb s ILE 64 N 0.18 3.14 -0.31 2.22 -1.09 0.28 -4.98 121.20 120.64 3hzb s ILE 64 Ca 0.11 -1.01 0.09 0.00 -2.23 0.00 0.00 60.65 57.61 3hzb s ILE 64 Cb -0.12 -2.64 0.21 0.00 -1.58 0.00 0.00 42.46 38.34 3hzb s ILE 64 CO 0.00 0.12 1.16 -0.46 -1.23 0.00 0.00 174.94 174.53 3hzb n ASN 65 N 4.71 2.58 -3.57 3.58 0.23 -1.26 -1.51 115.26 120.02 3hzb n ASN 65 Ca -0.15 -2.34 -0.13 0.00 -0.53 0.00 0.00 54.58 51.43 3hzb n ASN 65 Cb 0.47 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.40 0.14 0.53 1.04 -1.26 -4.92 113.70 107.37 3hzb s SER 66 Ca 0.18 0.01 -0.34 0.00 0.48 0.00 0.00 55.95 56.27 3hzb s SER 66 Cb 0.13 0.50 -0.16 0.00 0.10 0.00 0.00 66.02 66.60 3hzb s SER 66 CO 0.06 -0.79 1.32 0.47 0.98 0.00 0.00 173.24 175.28 3hzb n ASP 67 N 0.12 1.85 -4.08 7.02 8.00 -1.26 -4.64 116.55 123.56 3hzb n ASP 67 Ca -0.17 1.12 -0.32 0.00 0.71 0.00 0.00 54.79 56.13 3hzb n ASP 67 Cb 0.62 -1.26 -0.15 0.00 -0.02 0.00 0.00 41.12 40.31 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 0.35 4.25 0.17 -2.24 3.84 -0.50 -4.99 114.94 115.83 3hzb s ASN 68 Ca 0.78 -1.29 0.25 0.00 0.21 0.00 0.00 52.86 52.81 3hzb s ASN 68 Cb -0.85 -1.54 0.91 0.00 -0.55 0.00 0.00 41.25 39.22 3hzb s ASN 68 CO 0.48 -0.16 1.75 -1.54 -2.79 0.00 0.00 177.10 174.84 3hzb n SER 69 N 4.46 0.57 -3.15 -4.21 3.41 -1.26 -1.52 113.62 111.92 3hzb n SER 69 Ca -0.15 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 3hzb n SER 69 Cb 0.43 -0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 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 3.62 1.16 0.00 1.43 0.16 -5.00 118.68 122.98 3hzb s LEU 71 Ca 0.12 2.63 -0.19 0.00 -1.03 0.00 0.00 54.13 55.66 3hzb s LEU 71 Cb -0.08 -4.57 0.27 0.00 0.03 0.00 0.00 46.19 41.84 3hzb s LEU 71 CO -0.18 -1.92 1.16 0.54 0.23 0.00 0.00 176.35 176.18 3hzb s ASN 72 N -1.35 1.28 0.52 2.29 6.03 -1.26 -4.31 114.94 118.14 3hzb s ASN 72 Ca 0.81 0.51 0.16 0.00 -1.03 0.00 0.00 52.86 53.31 3hzb s ASN 72 Cb -0.37 -0.67 1.27 0.00 -3.03 0.00 0.00 41.25 38.44 3hzb s ASN 72 CO 0.40 -3.89 2.14 0.74 -2.03 0.00 0.00 177.10 174.47 3hzb h THR 73 N -2.42 0.99 -0.06 0.54 2.02 -1.94 0.48 112.91 112.52 3hzb h THR 73 Ca -0.44 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 3hzb h THR 73 Cb 1.28 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3hzb h THR 73 CO 0.33 0.00 -0.60 0.74 0.37 0.00 0.00 175.52 176.36 3hzb h THR 74 N 0.01 1.39 0.00 3.16 2.02 -2.03 -3.36 112.91 114.10 3hzb h THR 74 Ca 0.01 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 3hzb h THR 74 Cb 0.04 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3hzb h THR 74 CO -0.00 0.58 -1.56 0.79 0.37 0.00 0.00 175.52 175.70 3hzb n TRP 75 N -3.87 0.00 -2.17 3.16 7.02 -0.76 -4.81 117.44 116.01 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 0.61 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 29.19 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 -3.42 6.83 -1.46 -0.99 3.84 0.16 -2.72 114.94 117.18 3hzb s ASN 76 Ca -0.04 2.34 -0.09 0.00 0.21 0.00 0.00 52.86 55.27 3hzb s ASN 76 Cb 0.08 -2.59 0.05 0.00 -0.55 0.00 0.00 41.25 38.23 3hzb s ASN 76 CO 0.50 -0.64 0.81 0.47 -2.79 0.00 0.00 177.10 175.45 3hzb n ASP 77 N 3.79 -5.26 0.00 -4.21 8.00 -0.76 -4.84 116.55 113.28 3hzb n ASP 77 Ca 0.11 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.10 3hzb n ASP 77 Cb 0.42 -4.22 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 -4.36 2.60 -2.20 -1.24 4.76 -1.10 -4.28 118.16 112.35 3hzb n LYS 78 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3hzb n LYS 78 Cb 0.56 -0.27 -0.03 0.00 -1.84 0.00 0.00 35.03 33.45 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 3.32 0.00 -0.18 1.01 -1.25 -4.58 120.40 118.35 3hzb s VAL 79 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3hzb s VAL 79 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3hzb s VAL 79 CO 0.00 0.10 0.00 -1.20 0.00 0.00 0.00 175.10 174.00 3hzb n SER 80 N 3.59 2.52 -3.51 3.32 7.64 -0.74 -1.71 113.62 124.74 3hzb n SER 80 Ca 0.10 -0.25 -0.17 0.00 1.01 0.00 0.00 58.87 59.56 3hzb n SER 80 Cb 0.43 1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.57 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 -1.50 -0.63 0.00 6.43 1.04 -1.23 -2.99 113.70 114.83 3hzb s SER 81 Ca 0.00 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 3hzb s SER 81 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3hzb s SER 81 CO 0.00 -0.68 0.03 -0.63 0.98 0.00 0.00 173.24 172.94 3hzb s ILE 82 N -1.71 0.06 -0.07 -1.02 1.01 -0.15 -1.48 121.20 117.84 3hzb s ILE 82 Ca -0.09 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.11 3hzb s ILE 82 Cb -0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 3hzb s ILE 82 CO 0.05 -0.28 -0.23 -0.13 0.00 0.00 0.00 174.94 174.35 3hzb s ARG 83 N -0.84 2.59 -0.15 2.79 0.52 -0.59 -0.01 118.95 123.26 3hzb s ARG 83 Ca -0.09 -0.84 -0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3hzb s ARG 83 Cb -0.06 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3hzb s ARG 83 CO -0.00 0.29 -0.14 0.08 0.02 0.00 0.00 175.30 175.55 3hzb s VAL 84 N 0.05 2.83 0.21 3.52 1.01 0.21 -0.53 120.40 127.71 3hzb s VAL 84 Ca -0.09 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3hzb s VAL 84 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3hzb s VAL 84 CO 0.05 0.51 0.10 0.27 0.00 0.00 0.00 175.10 176.03 3hzb s ILE 85 N 0.70 0.26 0.04 2.22 -4.36 -0.88 -1.28 121.20 117.90 3hzb s ILE 85 Ca -0.07 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.04 3hzb s ILE 85 Cb -0.15 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 3hzb s ILE 85 CO 0.02 -0.09 0.99 0.00 0.24 0.00 0.00 174.94 176.09 3hzb s ALA 86 N -3.97 3.20 0.00 2.27 0.00 -1.26 -1.53 121.76 120.47 3hzb s ALA 86 Ca 0.36 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3hzb s ALA 86 Cb 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3hzb s ALA 86 CO 0.11 -0.19 0.00 -1.71 0.00 0.00 0.00 175.76 173.97 3hzb n ASN 87 N 3.57 0.00 0.00 0.00 5.15 0.36 -4.80 115.26 119.53 3hzb n ASN 87 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 3hzb n ASN 87 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 3hzb n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27