#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 0.10 -3.80 2.53 0.24 -0.92 -4.82 118.33 111.67 3hzb n VAL 2 Ca 0.00 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 3hzb n VAL 2 Cb 0.00 -0.05 -0.15 0.00 -1.47 0.00 0.00 33.84 32.18 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 -3.04 -0.03 -0.08 1.34 1.01 -0.96 -0.16 121.20 119.28 3hzb s ILE 3 Ca 0.11 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.91 3hzb s ILE 3 Cb 0.17 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.53 3hzb s ILE 3 CO 0.66 0.05 -0.17 -0.89 0.00 0.00 0.00 174.94 174.59 3hzb s THR 4 N 0.67 1.54 -0.13 2.92 2.01 -0.56 0.33 115.64 122.42 3hzb s THR 4 Ca -0.05 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 3hzb s THR 4 Cb -0.07 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3hzb s THR 4 CO -0.02 0.45 -0.03 0.68 -0.69 0.00 0.00 174.62 175.00 3hzb s VAL 5 N 0.55 3.96 0.08 3.82 -7.23 -0.44 -0.80 120.40 120.34 3hzb s VAL 5 Ca -0.16 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 3hzb s VAL 5 Cb -0.17 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3hzb s VAL 5 CO 0.06 0.52 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.97 3hzb s TYR 6 N 0.01 2.78 0.15 2.82 1.51 0.68 -1.34 117.35 123.97 3hzb s TYR 6 Ca 0.01 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 3hzb s TYR 6 Cb -0.13 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3hzb s TYR 6 CO 0.03 0.41 1.56 -0.22 -1.11 0.00 0.00 175.55 176.22 3hzb h LYS 7 N 3.81 0.95 -6.09 -0.62 3.64 -1.01 0.56 116.57 117.81 3hzb h LYS 7 Ca -0.49 -0.37 -0.53 0.00 -1.27 0.00 0.00 60.65 58.00 3hzb h LYS 7 Cb 1.17 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 3hzb h LYS 7 CO 0.53 1.03 -0.47 -0.51 -2.27 0.00 0.00 179.45 177.76 3hzb s ASP 8 N -6.58 4.83 0.86 4.20 1.01 -0.14 -3.48 116.67 117.36 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 -0.68 0.11 0.00 1.01 0.00 0.00 42.92 43.48 3hzb s ASP 8 CO 0.85 -0.45 1.09 0.00 0.21 0.00 0.00 175.17 176.87 3hzb n ASN 10 N -3.77 -4.97 -3.76 0.00 5.03 0.21 -3.53 115.26 104.48 3hzb n ASN 10 Ca 0.07 -0.12 -0.24 0.00 0.87 0.00 0.00 54.58 55.16 3hzb n ASN 10 Cb 0.55 -3.94 0.02 0.00 -1.02 0.00 0.00 39.78 35.38 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 -4.13 -1.84 -4.31 3.10 4.02 -1.25 -5.00 117.16 107.75 3hzb n TYR 11 Ca -0.14 0.75 -0.16 0.00 -0.01 0.00 0.00 57.90 58.34 3hzb n TYR 11 Cb 0.62 -4.03 -0.10 0.00 -0.02 0.00 0.00 39.34 35.81 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 -3.73 0.52 0.00 -0.72 -4.23 -1.23 -5.05 115.64 101.21 3hzb s THR 12 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3hzb s THR 12 Cb -0.03 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3hzb s THR 12 CO 0.84 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 3hzb n GLY 13 N -0.46 -0.95 3.59 3.99 0.00 -1.26 -0.97 105.19 109.13 3hzb n GLY 13 Ca 0.00 -1.66 -0.51 0.00 0.00 0.00 0.00 46.02 43.85 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 1.50 -4.36 1.61 7.35 -1.26 -4.36 117.46 116.90 3hzb n PHE 14 Ca 0.00 0.63 -0.24 0.00 -0.76 0.00 0.00 57.45 57.07 3hzb n PHE 14 Cb 0.00 -2.33 -0.12 0.00 0.35 0.00 0.00 39.48 37.38 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 0.35 2.97 -0.04 -2.13 1.04 -1.26 -0.82 113.70 113.82 3hzb s SER 15 Ca 0.80 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 56.44 3hzb s SER 15 Cb -0.90 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.03 3hzb s SER 15 CO 0.48 0.05 -0.14 -0.83 0.98 0.00 0.00 173.24 173.78 3hzb s GLY 16 N -2.53 0.78 -0.14 7.32 0.00 -0.45 -4.95 107.32 107.35 3hzb s GLY 16 Ca 0.16 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.19 3hzb s GLY 16 CO 0.07 -0.26 0.28 -0.32 0.00 0.00 0.00 173.10 172.87 3hzb s GLY 17 N 0.08 2.22 0.15 0.20 0.00 -1.26 -1.33 107.32 107.38 3hzb s GLY 17 Ca -0.03 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.33 3hzb s GLY 17 CO 0.01 0.31 -0.25 1.08 0.00 0.00 0.00 173.10 174.26 3hzb s LEU 18 N 0.19 2.36 0.00 0.66 1.43 0.15 -5.01 118.68 118.46 3hzb s LEU 18 Ca 0.16 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3hzb s LEU 18 Cb -0.13 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3hzb s LEU 18 CO 0.04 0.13 0.07 0.35 0.23 0.00 0.00 176.35 177.17 3hzb n THR 19 N 0.70 0.00 -1.66 5.49 -2.24 -1.26 -2.16 114.28 113.15 3hzb n THR 19 Ca -0.16 -1.71 -0.46 0.00 -2.27 0.00 0.00 64.05 59.45 3hzb n THR 19 Cb 0.54 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.75 0.74 -0.03 2.28 2.08 -1.26 -4.62 119.36 117.81 3hzb n ILE 20 Ca -0.08 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.04 3hzb n ILE 20 Cb 0.45 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 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 2.37 0.23 3.52 7.39 0.00 -0.77 -4.96 105.19 112.97 3hzb n GLY 21 Ca 0.13 -1.82 -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 -0.13 4.76 -0.32 1.61 1.01 -1.26 -0.66 116.67 121.68 3hzb s ASP 22 Ca 0.00 -0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.19 3hzb s ASP 22 Cb 0.00 -1.65 0.09 0.00 1.01 0.00 0.00 42.92 42.37 3hzb s ASP 22 CO 0.00 0.22 0.02 -0.31 0.21 0.00 0.00 175.17 175.31 3hzb s TYR 23 N 0.07 3.41 0.93 4.23 1.51 0.19 -5.00 117.35 122.69 3hzb s TYR 23 Ca -0.01 -2.70 -0.14 0.00 -1.01 0.00 0.00 57.07 53.21 3hzb s TYR 23 Cb -0.14 -2.56 0.18 0.00 -0.11 0.00 0.00 41.96 39.34 3hzb s TYR 23 CO 0.03 -0.92 1.28 0.54 -1.11 0.00 0.00 175.55 175.37 3hzb s ASN 24 N 1.03 3.34 0.34 2.29 6.03 -1.26 -0.78 114.94 125.93 3hzb s ASN 24 Ca 0.06 0.27 0.03 0.00 -1.03 0.00 0.00 52.86 52.20 3hzb s ASN 24 Cb -0.19 -0.38 0.65 0.00 -3.03 0.00 0.00 41.25 38.30 3hzb s ASN 24 CO -0.09 -2.59 1.95 0.25 -2.03 0.00 0.00 177.10 174.59 3hzb h LEU 25 N -1.50 0.76 -0.31 3.54 5.85 -1.93 -1.27 115.31 120.45 3hzb h LEU 25 Ca -0.44 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hzb h LEU 25 Cb 1.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3hzb h LEU 25 CO 0.41 0.50 0.13 0.00 -0.34 0.00 0.00 178.44 179.13 3hzb h ALA 26 N 1.57 0.36 -0.39 1.25 0.00 -1.92 0.11 119.26 120.24 3hzb h ALA 26 Ca 0.33 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 3hzb h ALA 26 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hzb h ALA 26 CO -0.11 -0.27 -0.15 -0.09 0.00 0.00 0.00 179.25 178.63 3hzb h ARG 27 N 0.27 0.72 -0.61 0.00 2.43 -1.70 -1.48 114.38 114.01 3hzb h ARG 27 Ca 0.14 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3hzb h ARG 27 Cb 0.09 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3hzb h ARG 27 CO -0.12 0.83 0.25 -0.07 -1.51 0.00 0.00 179.97 179.35 3hzb h LEU 28 N 0.65 0.83 -1.62 3.80 3.38 -0.72 -2.24 115.31 119.40 3hzb h LEU 28 Ca 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3hzb h LEU 28 Cb 0.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hzb h LEU 28 CO 0.04 0.77 -0.20 0.78 0.09 0.00 0.00 178.44 179.92 3hzb h ASN 29 N 0.85 0.00 0.61 -0.43 4.21 -0.37 -0.73 115.58 119.71 3hzb h ASN 29 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 3hzb h ASN 29 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3hzb h ASN 29 CO -0.02 0.20 0.00 -1.54 -1.29 0.00 0.00 177.43 174.78 3hzb n SER 30 N -4.22 0.57 -0.61 5.81 3.41 -0.60 -0.85 113.62 117.14 3hzb n SER 30 Ca -0.02 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 3hzb n SER 30 Cb 0.27 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.15 2.23 0.00 1.04 4.77 -0.41 -4.95 117.00 117.53 3hzb n LEU 31 Ca 0.02 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3hzb n LEU 31 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3hzb n LEU 31 CO 0.18 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3hzb n GLY 32 N 1.20 0.77 3.70 -0.72 0.00 -0.03 -4.82 105.19 105.30 3hzb n GLY 32 Ca 0.10 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 -2.95 4.89 0.38 1.61 1.01 -0.47 -4.94 120.40 119.93 3hzb s VAL 33 Ca 0.00 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 3hzb s VAL 33 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 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 1.27 3.91 0.56 3.92 1.43 -1.26 -2.94 118.68 125.57 3hzb s LEU 34 Ca 0.47 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 53.94 3hzb s LEU 34 Cb -0.19 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3hzb s LEU 34 CO 0.23 -0.37 1.13 0.21 0.23 0.00 0.00 176.35 177.77 3hzb s ASN 35 N -4.06 5.63 -1.41 2.29 3.84 -1.26 -3.62 114.94 116.35 3hzb s ASN 35 Ca 0.42 2.16 -0.14 0.00 0.21 0.00 0.00 52.86 55.50 3hzb s ASN 35 Cb -0.10 -2.58 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 3hzb s ASN 35 CO 0.38 -1.28 0.27 0.47 -2.79 0.00 0.00 177.10 174.15 3hzb n ASP 36 N -1.46 -1.03 0.00 -4.21 8.00 -0.71 -4.79 116.55 112.35 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 -1.57 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 -2.56 0.00 -4.77 -2.24 4.64 -1.24 -4.41 116.55 105.98 3hzb n ASP 37 Ca -0.24 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.76 3hzb n ASP 37 Cb 0.64 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.70 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 -0.73 2.40 0.00 5.18 1.01 -1.26 -4.59 121.20 123.21 3hzb s ILE 38 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3hzb s ILE 38 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.23 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 1.19 3.40 -3.77 3.58 7.64 0.18 -2.10 113.62 123.72 3hzb n SER 39 Ca 0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 3hzb n SER 39 Cb 0.40 0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 64.17 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 -1.51 -0.05 -0.09 6.43 1.04 -1.15 -0.72 113.70 117.66 3hzb s SER 40 Ca 0.00 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 3hzb s SER 40 Cb 0.00 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.56 3hzb s SER 40 CO 0.00 -0.81 0.29 -0.76 0.98 0.00 0.00 173.24 172.94 3hzb s LEU 41 N -2.85 0.90 -0.14 2.42 1.02 -0.44 -0.23 118.68 119.36 3hzb s LEU 41 Ca 0.06 0.47 -0.04 0.00 0.02 0.00 0.00 54.13 54.63 3hzb s LEU 41 Cb 0.03 1.04 -0.03 0.00 0.02 0.00 0.00 46.19 47.25 3hzb s LEU 41 CO -0.10 -0.17 0.02 -0.13 0.02 0.00 0.00 176.35 175.98 3hzb s ARG 42 N -0.17 3.51 -0.11 1.70 0.52 0.02 -1.29 118.95 123.13 3hzb s ARG 42 Ca -0.03 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.77 3hzb s ARG 42 Cb -0.03 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.49 3hzb s ARG 42 CO 0.01 0.45 -0.05 -1.50 0.02 0.00 0.00 175.30 174.23 3hzb s ILE 43 N -0.16 0.86 0.22 1.52 2.07 -1.26 -1.50 121.20 122.94 3hzb s ILE 43 Ca 0.05 -0.24 -0.30 0.00 -1.41 0.00 0.00 60.65 58.75 3hzb s ILE 43 Cb -0.12 -0.95 -0.09 0.00 0.13 0.00 0.00 42.46 41.43 3hzb s ILE 43 CO 0.02 0.29 1.36 -0.89 -1.91 0.00 0.00 174.94 173.81 3hzb s THR 44 N 1.77 3.00 0.22 4.00 2.01 0.77 -4.44 115.64 122.97 3hzb s THR 44 Ca 0.04 0.83 -0.31 0.00 0.31 0.00 0.00 61.69 62.56 3hzb s THR 44 Cb -0.13 -3.53 -0.15 0.00 0.01 0.00 0.00 72.50 68.70 3hzb s THR 44 CO -0.07 0.13 1.10 1.67 -0.69 0.00 0.00 174.62 176.75 3hzb n GLN 45 N 2.52 1.24 -0.08 4.92 7.27 -1.26 -1.68 117.38 130.31 3hzb n GLN 45 Ca 0.06 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3hzb n GLN 45 Cb 0.42 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 31.19 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 1.73 0.50 3.23 1.69 0.00 -1.26 -5.04 105.19 106.04 3hzb n GLY 46 Ca 0.13 0.00 -0.13 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 -2.22 1.15 0.07 1.61 2.02 -0.68 -0.03 117.35 119.28 3hzb s TYR 47 Ca 0.00 -1.06 -0.21 0.00 -0.37 0.00 0.00 57.07 55.43 3hzb s TYR 47 Cb 0.00 -0.66 0.05 0.00 -0.40 0.00 0.00 41.96 40.95 3hzb s TYR 47 CO 0.00 -0.27 0.49 1.14 -1.57 0.00 0.00 175.55 175.34 3hzb s GLN 48 N -3.94 1.04 -0.12 -0.62 -2.07 -0.38 -4.63 119.66 108.94 3hzb s GLN 48 Ca 0.24 -0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 3hzb s GLN 48 Cb 0.06 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 3hzb s GLN 48 CO 0.04 -0.39 -0.14 0.00 -1.32 0.00 0.00 175.29 173.48 3hzb s ALA 49 N -2.77 2.61 -0.30 2.60 0.00 -0.74 -1.51 121.76 121.66 3hzb s ALA 49 Ca -0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 3hzb s ALA 49 Cb -0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 3hzb s ALA 49 CO -0.04 0.29 0.17 0.42 0.00 0.00 0.00 175.76 176.60 3hzb s ILE 50 N 0.21 4.91 0.11 0.00 -1.09 0.89 -0.73 121.20 125.49 3hzb s ILE 50 Ca -0.08 -0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 3hzb s ILE 50 Cb -0.15 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 3hzb s ILE 50 CO 0.05 0.14 0.41 -0.76 -1.23 0.00 0.00 174.94 173.55 3hzb s LEU 51 N 1.68 4.32 -0.01 2.97 1.43 0.18 -1.69 118.68 127.55 3hzb s LEU 51 Ca 0.06 0.77 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 3hzb s LEU 51 Cb -0.17 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 3hzb s LEU 51 CO 0.08 0.13 -0.17 -0.31 0.23 0.00 0.00 176.35 176.31 3hzb s TYR 52 N -1.49 1.51 0.17 0.29 2.02 -0.60 -2.20 117.35 117.06 3hzb s TYR 52 Ca 0.36 -0.30 -0.09 0.00 -0.37 0.00 0.00 57.07 56.67 3hzb s TYR 52 Cb -0.13 -0.98 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 3hzb s TYR 52 CO 0.20 -0.04 1.58 1.96 -1.57 0.00 0.00 175.55 177.68 3hzb h GLN 53 N 5.76 1.01 -6.10 -0.62 1.08 -1.19 -2.19 115.11 112.87 3hzb h GLN 53 Ca -0.36 -0.40 -0.52 0.00 -1.45 0.00 0.00 58.65 55.93 3hzb h GLN 53 Cb 1.15 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.48 3hzb h GLN 53 CO 0.48 1.08 -0.43 -0.51 -0.95 0.00 0.00 178.83 178.50 3hzb s ASP 54 N -6.69 4.89 0.86 1.46 1.01 -0.18 -3.60 116.67 114.42 3hzb s ASP 54 Ca -0.11 -0.80 -0.11 0.00 0.71 0.00 0.00 52.55 52.24 3hzb s ASP 54 Cb 0.13 -0.61 0.11 0.00 1.01 0.00 0.00 42.92 43.55 3hzb s ASP 54 CO 0.87 -0.55 1.09 -0.62 0.21 0.00 0.00 175.17 176.17 3hzb s ASP 55 N -4.03 3.79 -1.50 0.27 2.15 -1.26 -3.19 116.67 112.90 3hzb s ASP 55 Ca 0.44 1.61 -0.05 0.00 0.43 0.00 0.00 52.55 54.99 3hzb s ASP 55 Cb -0.02 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 3hzb s ASP 55 CO 0.26 -2.45 0.45 0.59 -0.17 0.00 0.00 175.17 173.85 3hzb n ASN 56 N -3.77 -5.45 -3.19 -0.34 3.02 -1.26 -2.33 115.26 101.94 3hzb n ASN 56 Ca 0.08 -0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.16 3hzb n ASN 56 Cb 0.54 -4.45 0.05 0.00 -0.61 0.00 0.00 39.78 35.31 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 -4.24 -2.22 -3.28 3.10 3.01 -1.24 -5.00 117.46 107.59 3hzb n PHE 57 Ca -0.12 0.66 -0.18 0.00 1.01 0.00 0.00 57.45 58.82 3hzb n PHE 57 Cb 0.61 -4.62 0.00 0.00 -0.01 0.00 0.00 39.48 35.47 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 -2.87 1.73 0.00 1.37 0.00 -0.98 -4.97 107.32 101.59 3hzb s GLY 58 Ca 0.39 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3hzb s GLY 58 CO 0.48 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.78 3hzb n GLY 59 N -1.73 -1.47 3.71 0.20 0.00 -1.26 -1.01 105.19 103.62 3hzb n GLY 59 Ca 0.03 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.28 1.90 0.16 4.61 0.00 -1.26 -4.65 121.76 121.24 3hzb s ALA 60 Ca 0.00 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3hzb s ALA 60 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3hzb s ALA 60 CO 0.00 -2.19 0.02 -1.12 0.00 0.00 0.00 175.76 172.47 3hzb s SER 61 N -2.34 0.96 0.07 0.00 0.01 -1.26 -1.25 113.70 109.88 3hzb s SER 61 Ca 0.71 -1.18 -0.23 0.00 1.31 0.00 0.00 55.95 56.55 3hzb s SER 61 Cb -0.26 0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.19 3hzb s SER 61 CO 0.51 -0.62 0.56 0.28 0.41 0.00 0.00 173.24 174.38 3hzb s THR 62 N -3.77 0.02 -0.13 1.44 -1.32 -0.94 -4.97 115.64 105.98 3hzb s THR 62 Ca 0.24 -0.16 -0.03 0.00 -1.21 0.00 0.00 61.69 60.53 3hzb s THR 62 Cb 0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3hzb s THR 62 CO 0.03 -0.09 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.63 3hzb s VAL 63 N -2.69 3.92 -0.36 5.08 1.01 -1.26 -0.64 120.40 125.46 3hzb s VAL 63 Ca -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3hzb s VAL 63 Cb -0.00 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.78 3hzb s VAL 63 CO -0.04 0.53 0.11 -0.63 0.00 0.00 0.00 175.10 175.07 3hzb s ILE 64 N -0.05 3.04 -0.63 2.22 -1.09 0.09 -4.94 121.20 119.84 3hzb s ILE 64 Ca 0.02 -1.85 0.13 0.00 -2.23 0.00 0.00 60.65 56.72 3hzb s ILE 64 Cb -0.13 -2.99 0.41 0.00 -1.58 0.00 0.00 42.46 38.17 3hzb s ILE 64 CO 0.03 -0.47 1.33 -0.46 -1.23 0.00 0.00 174.94 174.14 3hzb n ASN 65 N 4.56 3.36 -3.49 3.58 0.23 -1.26 -1.78 115.26 120.45 3hzb n ASN 65 Ca -0.05 -2.42 -0.14 0.00 -0.53 0.00 0.00 54.58 51.43 3hzb n ASN 65 Cb 0.42 -0.37 -0.04 0.00 -2.08 0.00 0.00 39.78 37.71 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 0.13 0.53 1.04 -1.26 -4.95 113.70 107.25 3hzb s SER 66 Ca 0.31 0.37 -0.34 0.00 0.48 0.00 0.00 55.95 56.77 3hzb s SER 66 Cb 0.21 0.52 -0.17 0.00 0.10 0.00 0.00 66.02 66.69 3hzb s SER 66 CO 0.13 -0.71 1.11 0.47 0.98 0.00 0.00 173.24 175.23 3hzb n ASP 67 N 0.34 0.88 -3.95 7.02 8.00 -1.26 -4.72 116.55 122.86 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 -1.13 -0.16 0.00 -0.02 0.00 0.00 41.12 40.42 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 -0.01 3.81 0.11 -2.24 3.84 -0.41 -5.00 114.94 115.04 3hzb s ASN 68 Ca 0.78 -1.15 0.23 0.00 0.21 0.00 0.00 52.86 52.94 3hzb s ASN 68 Cb -0.96 -1.20 0.92 0.00 -0.55 0.00 0.00 41.25 39.46 3hzb s ASN 68 CO 0.53 -0.22 1.72 -1.54 -2.79 0.00 0.00 177.10 174.80 3hzb n SER 69 N 4.66 0.35 -3.15 -4.21 3.41 -1.26 -1.33 113.62 112.09 3hzb n SER 69 Ca -0.12 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 3hzb n SER 69 Cb 0.44 -0.64 -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 5.28 4.13 0.00 0.00 4.77 0.10 -4.99 117.00 126.29 3hzb n LEU 71 Ca 0.03 0.80 -0.30 0.00 -0.03 0.00 0.00 56.01 56.52 3hzb n LEU 71 Cb 0.56 -1.42 0.23 0.00 -2.33 0.00 0.00 43.42 40.46 3hzb n LEU 71 CO -0.12 -1.72 0.77 -0.46 -1.33 0.00 0.00 177.39 174.53 3hzb n ASN 72 N -1.00 -0.89 0.05 -1.43 2.04 -1.26 -4.34 115.26 108.43 3hzb n ASN 72 Ca 0.14 -1.35 0.15 0.00 -0.44 0.00 0.00 54.58 53.08 3hzb n ASN 72 Cb 0.48 -1.03 0.63 0.00 -2.53 0.00 0.00 39.78 37.33 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 -2.22 0.85 0.00 5.53 2.02 -1.94 0.39 112.91 117.54 3hzb h THR 73 Ca -0.43 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 3hzb h THR 73 Cb 1.24 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3hzb h THR 73 CO 0.29 0.02 -0.75 0.74 0.37 0.00 0.00 175.52 176.19 3hzb h THR 74 N 0.10 1.52 0.00 3.16 2.02 -2.03 -3.37 112.91 114.31 3hzb h THR 74 Ca 0.19 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.76 3hzb h THR 74 Cb 0.63 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3hzb h THR 74 CO -0.02 0.74 -0.92 0.79 0.37 0.00 0.00 175.52 176.49 3hzb n TRP 75 N -3.61 0.00 -2.11 3.16 7.02 -0.67 -4.85 117.44 116.37 3hzb n TRP 75 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 3hzb n TRP 75 Cb 0.74 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 29.51 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 -2.29 6.77 -1.47 -0.99 2.47 0.13 -2.65 114.94 116.92 3hzb s ASN 76 Ca -0.01 2.40 -0.11 0.00 0.42 0.00 0.00 52.86 55.56 3hzb s ASN 76 Cb 0.04 -2.59 0.06 0.00 -1.45 0.00 0.00 41.25 37.31 3hzb s ASN 76 CO 0.25 -0.69 0.99 0.47 -3.72 0.00 0.00 177.10 174.40 3hzb n ASP 77 N 3.85 -5.39 0.00 -4.21 8.00 -0.89 -4.84 116.55 113.07 3hzb n ASP 77 Ca 0.12 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.98 3hzb n ASP 77 Cb 0.41 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 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 -4.68 2.16 -2.18 -1.24 4.76 -1.08 -4.32 118.16 111.58 3hzb n LYS 78 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 3hzb n LYS 78 Cb 0.54 -0.21 -0.03 0.00 -1.84 0.00 0.00 35.03 33.50 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 -0.26 3.35 -0.05 -0.18 1.01 -1.25 -4.59 120.40 118.44 3hzb s VAL 79 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3hzb s VAL 79 Cb 0.00 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3hzb s VAL 79 CO 0.00 0.07 0.07 -1.20 0.00 0.00 0.00 175.10 174.04 3hzb n SER 80 N 4.10 2.71 -3.48 3.32 7.64 -0.82 -1.74 113.62 125.34 3hzb n SER 80 Ca 0.12 -0.22 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 3hzb n SER 80 Cb 0.42 1.07 -0.04 0.00 -1.01 0.00 0.00 64.21 64.65 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 -1.85 -0.62 0.00 6.43 1.04 -1.22 -3.03 113.70 114.46 3hzb s SER 81 Ca -0.00 0.43 -0.06 0.00 0.48 0.00 0.00 55.95 56.80 3hzb s SER 81 Cb 0.02 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 3hzb s SER 81 CO 0.10 -0.74 0.12 -0.63 0.98 0.00 0.00 173.24 173.06 3hzb s ILE 82 N -2.19 0.08 -0.06 -1.02 1.01 0.04 -1.55 121.20 117.52 3hzb s ILE 82 Ca -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.90 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 0.01 -0.39 -0.09 -0.13 0.00 0.00 0.00 174.94 174.35 3hzb s ARG 83 N -1.36 1.33 -0.20 2.79 0.52 -0.68 0.56 118.95 121.91 3hzb s ARG 83 Ca -0.15 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 54.72 3hzb s ARG 83 Cb -0.08 -1.18 -0.03 0.00 0.52 0.00 0.00 34.95 34.18 3hzb s ARG 83 CO 0.01 -0.03 0.05 0.08 0.02 0.00 0.00 175.30 175.43 3hzb s VAL 84 N 0.83 4.46 0.18 3.52 1.01 0.17 -0.08 120.40 130.49 3hzb s VAL 84 Ca -0.12 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3hzb s VAL 84 Cb -0.15 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 3hzb s VAL 84 CO 0.02 0.42 0.01 0.27 0.00 0.00 0.00 175.10 175.81 3hzb s ILE 85 N 0.85 0.71 0.63 2.22 -4.36 -0.57 -1.84 121.20 118.84 3hzb s ILE 85 Ca 0.03 -1.99 -0.17 0.00 -0.26 0.00 0.00 60.65 58.26 3hzb s ILE 85 Cb -0.14 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 3hzb s ILE 85 CO 0.02 -0.43 1.15 0.00 0.24 0.00 0.00 174.94 175.93 3hzb s ALA 86 N -3.64 2.48 0.00 2.27 0.00 -1.26 -1.25 121.76 120.36 3hzb s ALA 86 Ca 0.25 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3hzb s ALA 86 Cb 0.06 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3hzb s ALA 86 CO 0.05 -1.22 0.33 -1.71 0.00 0.00 0.00 175.76 173.20