#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z5f h TRP 3 N 0.00 0.00 0.00 1.24 -0.00 -1.88 0.11 115.95 115.41 1z5f h TRP 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1z5f h TRP 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1z5f h TRP 3 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 178.44 176.53 1z5f n GLU 4 N -4.03 0.00 -0.27 2.65 4.07 -1.26 -1.01 120.64 120.79 1z5f n GLU 4 Ca 0.26 0.03 0.08 0.00 -0.06 0.00 0.00 57.16 57.48 1z5f n GLU 4 Cb 1.30 -0.97 0.23 0.00 -0.06 0.00 0.00 31.44 31.94 1z5f n GLU 4 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1z5f h THR 5 N 0.00 0.53 -0.39 6.31 1.03 -1.91 1.72 112.91 120.20 1z5f h THR 5 Ca 0.00 -0.13 0.11 0.00 -0.01 0.00 0.00 66.41 66.39 1z5f h THR 5 Cb 0.00 0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 67.20 1z5f h THR 5 CO 0.00 0.07 0.48 0.15 -0.01 0.00 0.00 175.52 176.20 1z5f h PHE 6 N 0.36 0.00 0.00 0.00 3.57 -0.81 1.18 116.94 121.24 1z5f h PHE 6 Ca 0.47 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 1z5f h PHE 6 Cb 0.82 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1z5f h PHE 6 CO -0.19 0.00 -1.04 0.37 -2.23 0.00 0.00 178.31 175.21 1z5f h GLN 7 N 0.00 0.00 0.00 1.11 -0.00 0.43 -3.15 115.11 113.50 1z5f h GLN 7 Ca 0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.62 1z5f h GLN 7 Cb 1.13 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.58 1z5f h GLN 7 CO -0.00 0.11 -1.22 1.63 0.00 0.00 0.00 178.83 179.35 1z5f n LYS 8 N -2.79 0.55 -0.00 1.69 5.02 0.38 -3.65 118.16 119.36 1z5f n LYS 8 Ca -0.03 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.63 1z5f n LYS 8 Cb 0.65 -1.74 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1z5f n LYS 8 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1z5f h LYS 9 N -1.00 0.20 0.00 1.97 2.10 -1.01 -3.36 116.57 115.48 1z5f h LYS 9 Ca -0.32 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 57.98 1z5f h LYS 9 Cb 1.23 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1z5f h LYS 9 CO -0.20 1.16 -0.05 0.72 -2.00 0.00 0.00 179.45 179.08 1z5f n HIS 10 N -4.11 0.43 -4.32 0.07 8.25 -1.19 -4.76 115.22 109.58 1z5f n HIS 10 Ca -0.21 0.12 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 1z5f n HIS 10 Cb 0.81 -0.69 -0.12 0.00 1.12 0.00 0.00 29.99 31.11 1z5f n HIS 10 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1z5f s LEU 11 N -3.72 2.35 0.00 2.41 1.02 -1.21 0.59 118.68 120.12 1z5f s LEU 11 Ca 0.12 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.52 1z5f s LEU 11 Cb 0.16 -0.95 0.00 0.00 0.02 0.00 0.00 46.19 45.42 1z5f s LEU 11 CO 0.58 0.06 0.00 1.07 0.02 0.00 0.00 176.35 178.08 1z5f n THR 12 N 0.81 0.00 -0.41 5.49 5.66 -1.10 -4.46 114.28 120.26 1z5f n THR 12 Ca -0.17 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.87 1z5f n THR 12 Cb 0.54 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.38 1z5f n THR 12 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1z5f n ASP 13 N -1.30 2.13 -3.59 1.09 5.68 -1.26 -4.59 116.55 114.70 1z5f n ASP 13 Ca 0.00 -2.41 -0.14 0.00 -0.50 0.00 0.00 54.79 51.73 1z5f n ASP 13 Cb 0.00 -0.16 -0.06 0.00 -1.14 0.00 0.00 41.12 39.76 1z5f n ASP 13 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1z5f s THR 14 N -1.71 0.03 -0.18 2.12 -1.32 -1.26 -5.01 115.64 108.31 1z5f s THR 14 Ca 0.12 -0.26 0.29 0.00 -1.21 0.00 0.00 61.69 60.63 1z5f s THR 14 Cb 0.11 -0.94 0.36 0.00 -1.51 0.00 0.00 72.50 70.51 1z5f s THR 14 CO 0.01 -0.14 1.83 0.07 -2.21 0.00 0.00 174.62 174.18 1z5f h LYS 15 N 2.94 0.00 -2.22 7.08 2.10 -1.96 -3.30 116.57 121.21 1z5f h LYS 15 Ca -0.30 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.75 1z5f h LYS 15 Cb 1.20 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 32.11 1z5f h LYS 15 CO 0.41 0.00 -0.63 1.63 -2.00 0.00 0.00 179.45 178.86 1z5f n LYS 16 N -2.95 2.70 -0.58 0.07 5.02 -1.26 -4.34 118.16 116.83 1z5f n LYS 16 Ca 0.02 -4.68 -0.27 0.00 -2.02 0.00 0.00 58.31 51.36 1z5f n LYS 16 Cb 0.37 -2.22 0.18 0.00 -0.02 0.00 0.00 35.03 33.34 1z5f n LYS 16 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1z5f n VAL 17 N 0.49 0.00 -2.85 -0.18 0.24 -1.24 -4.84 118.33 109.94 1z5f n VAL 17 Ca 0.30 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 1z5f n VAL 17 Cb 0.41 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.19 1z5f n VAL 17 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1z5f n LYS 18 N -2.32 4.76 -0.16 7.34 2.85 -1.26 -4.86 118.16 124.51 1z5f n LYS 18 Ca 0.04 -4.54 0.11 0.00 -1.05 0.00 0.00 58.31 52.87 1z5f n LYS 18 Cb 0.52 -2.51 0.21 0.00 -0.65 0.00 0.00 35.03 32.60 1z5f n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1z5f h ASP 20 N 0.00 0.32 0.00 0.00 3.58 -1.89 -0.86 116.42 117.57 1z5f h ASP 20 Ca 0.35 0.18 -0.34 0.00 0.42 0.00 0.00 57.03 57.63 1z5f h ASP 20 Cb 0.83 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.98 1z5f h ASP 20 CO -0.41 -0.08 -2.28 0.52 -2.88 0.00 0.00 179.24 174.10 1z5f n VAL 21 N -5.09 1.29 0.00 2.25 0.31 0.51 -2.15 118.33 115.44 1z5f n VAL 21 Ca 0.25 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1z5f n VAL 21 Cb 0.78 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1z5f n VAL 21 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1z5f n GLU 22 N -2.90 0.00 0.00 5.55 4.07 0.52 -1.05 120.64 126.83 1z5f n GLU 22 Ca -0.35 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1z5f n GLU 22 Cb 1.03 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 1z5f n GLU 22 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1z5f n MET 23 N -1.21 0.00 0.00 5.31 2.81 -0.39 -4.69 117.12 118.95 1z5f n MET 23 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.92 1z5f n MET 23 Cb 0.07 -0.47 0.20 0.00 -0.71 0.00 0.00 33.22 32.32 1z5f n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1z5f n ALA 24 N -2.49 2.05 -0.94 3.04 0.00 -0.92 -0.98 120.51 120.27 1z5f n ALA 24 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1z5f n ALA 24 Cb 0.27 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.63 1z5f n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1z5f n LYS 25 N -0.70 -0.46 0.00 0.00 5.02 -0.22 -4.45 118.16 117.35 1z5f n LYS 25 Ca 0.05 -0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.36 1z5f n LYS 25 Cb 0.02 -0.16 -0.08 0.00 -0.02 0.00 0.00 35.03 34.80 1z5f n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1z5f n ALA 26 N -2.01 3.86 1.06 7.82 0.00 -1.26 -3.01 120.51 126.96 1z5f n ALA 26 Ca -0.01 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1z5f n ALA 26 Cb 0.04 -0.83 0.13 0.00 0.00 0.00 0.00 19.45 18.78 1z5f n ALA 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1z5f n LEU 27 N -1.82 2.61 -0.02 0.00 -0.00 -1.26 -4.37 117.00 112.14 1z5f n LEU 27 Ca 0.01 -0.88 -0.02 0.00 -0.00 0.00 0.00 56.01 55.12 1z5f n LEU 27 Cb 0.42 -0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 1z5f n LEU 27 CO 0.43 0.44 -0.63 0.49 -0.00 0.00 0.00 177.39 178.12 1z5f n PHE 28 N 0.91 0.00 -2.64 1.47 3.72 -1.26 -5.03 117.46 114.64 1z5f n PHE 28 Ca 0.14 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 1z5f n PHE 28 Cb 0.54 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.94 1z5f n PHE 28 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1z5f n ASP 29 N -2.47 -3.61 -3.34 4.37 8.00 -1.16 -3.87 116.55 114.46 1z5f n ASP 29 Ca -0.07 -0.14 -0.11 0.00 0.71 0.00 0.00 54.79 55.18 1z5f n ASP 29 Cb 0.59 -2.48 0.01 0.00 -0.02 0.00 0.00 41.12 39.22 1z5f n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1z5f n LYS 31 N -2.35 3.24 0.00 0.00 4.76 -1.25 -4.94 118.16 117.61 1z5f n LYS 31 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1z5f n LYS 31 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1z5f n LYS 31 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1z5f n LYS 32 N 0.00 0.80 -4.46 1.97 4.81 -1.26 -4.97 118.16 115.04 1z5f n LYS 32 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1z5f n LYS 32 Cb 0.00 -0.66 -0.14 0.00 0.02 0.00 0.00 35.03 34.25 1z5f n LYS 32 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1z5f s THR 33 N -1.31 1.01 -0.06 3.15 2.01 -1.26 -1.70 115.64 117.48 1z5f s THR 33 Ca 0.00 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 1z5f s THR 33 Cb 0.00 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.68 1z5f s THR 33 CO 0.00 0.16 0.43 0.21 -0.69 0.00 0.00 174.62 174.73 1z5f s ASN 34 N -0.63 -0.36 0.03 3.53 3.04 -0.78 -5.00 114.94 114.78 1z5f s ASN 34 Ca 0.03 0.41 -0.01 0.00 0.04 0.00 0.00 52.86 53.34 1z5f s ASN 34 Cb -0.06 0.50 -0.03 0.00 -1.54 0.00 0.00 41.25 40.12 1z5f s ASN 34 CO 0.00 -0.42 -0.03 -0.89 -3.04 0.00 0.00 177.10 172.72 1z5f s THR 35 N -0.96 0.15 0.33 -5.21 2.01 -1.26 -0.93 115.64 109.78 1z5f s THR 35 Ca -0.10 -1.27 -0.08 0.00 0.31 0.00 0.00 61.69 60.55 1z5f s THR 35 Cb -0.04 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.71 1z5f s THR 35 CO 0.05 -0.70 0.55 -0.36 -0.69 0.00 0.00 174.62 173.47 1z5f s PHE 36 N -2.47 0.71 -0.05 4.92 0.40 -0.96 -4.69 117.98 115.84 1z5f s PHE 36 Ca -0.07 -1.07 0.05 0.00 -0.60 0.00 0.00 56.93 55.24 1z5f s PHE 36 Cb -0.03 0.18 -0.00 0.00 0.51 0.00 0.00 43.02 43.68 1z5f s PHE 36 CO -0.05 -1.21 -0.19 0.42 0.70 0.00 0.00 175.22 174.90 1z5f s ILE 37 N -3.08 1.56 -0.63 0.64 1.01 0.20 -3.51 121.20 117.40 1z5f s ILE 37 Ca 0.25 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 1z5f s ILE 37 Cb -0.02 -1.34 0.12 0.00 0.01 0.00 0.00 42.46 41.24 1z5f s ILE 37 CO 0.16 0.45 0.69 -0.47 0.00 0.00 0.00 174.94 175.76 1z5f s TYR 38 N 0.01 3.15 0.11 3.97 5.04 -0.98 -2.73 117.35 125.93 1z5f s TYR 38 Ca -0.04 -1.18 -0.21 0.00 -2.44 0.00 0.00 57.07 53.20 1z5f s TYR 38 Cb -0.12 -3.96 0.05 0.00 0.35 0.00 0.00 41.96 38.28 1z5f s TYR 38 CO 0.03 -1.21 0.52 0.00 -1.34 0.00 0.00 175.55 173.55 1z5f s ALA 39 N 2.15 -1.32 0.16 3.97 0.00 -1.26 -4.70 121.76 120.75 1z5f s ALA 39 Ca 0.11 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 1z5f s ALA 39 Cb -0.23 0.65 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 1z5f s ALA 39 CO 0.03 -0.64 0.49 -0.48 0.00 0.00 0.00 175.76 175.15 1z5f s LEU 40 N -2.48 4.26 0.18 0.00 0.05 -1.26 -4.89 118.68 114.54 1z5f s LEU 40 Ca -0.01 0.87 -0.17 0.00 0.05 0.00 0.00 54.13 54.87 1z5f s LEU 40 Cb -0.00 -3.37 0.15 0.00 -2.05 0.00 0.00 46.19 40.92 1z5f s LEU 40 CO -0.09 0.04 1.29 -2.65 -0.55 0.00 0.00 176.35 174.40 1z5f n PRO 41 N 0.35 -0.23 -0.10 1.48 -0.02 -1.26 -0.45 135.00 134.77 1z5f n PRO 41 Ca -0.03 1.28 -0.06 0.00 -2.02 0.00 0.00 63.50 62.67 1z5f n PRO 41 Cb 0.52 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 32.11 1z5f n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1z5f h GLY 42 N 0.00 0.13 1.98 -1.23 0.00 -1.98 0.23 103.07 102.21 1z5f h GLY 42 Ca 0.26 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1z5f h GLY 42 CO -0.82 -0.17 -0.13 3.21 0.00 0.00 0.00 176.54 178.63 1z5f h ARG 43 N -0.09 0.03 0.14 4.80 3.08 -1.14 0.18 114.38 121.38 1z5f h ARG 43 Ca 0.18 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1z5f h ARG 43 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1z5f h ARG 43 CO -0.42 0.16 -0.07 0.28 -1.07 0.00 0.00 179.97 178.85 1z5f h VAL 44 N 0.03 0.30 0.00 2.04 2.07 0.32 -1.13 116.25 119.87 1z5f h VAL 44 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1z5f h VAL 44 Cb 0.25 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1z5f h VAL 44 CO 0.02 0.09 0.00 0.07 0.02 0.00 0.00 177.57 177.77 1z5f h LYS 45 N -1.02 0.00 0.00 1.57 2.10 -0.63 0.81 116.57 119.40 1z5f h LYS 45 Ca -0.02 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.49 1z5f h LYS 45 Cb 0.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 1z5f h LYS 45 CO 0.03 0.00 -0.81 0.00 -2.00 0.00 0.00 179.45 176.67 1z5f h ALA 46 N 2.00 0.62 0.00 0.07 0.00 -0.62 -3.19 119.26 118.15 1z5f h ALA 46 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1z5f h ALA 46 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1z5f h ALA 46 CO 0.00 0.81 0.00 -0.11 0.00 0.00 0.00 179.25 179.95 1z5f n LEU 47 N -3.16 0.40 -2.66 0.00 0.00 0.28 -2.99 117.00 108.87 1z5f n LEU 47 Ca -0.01 0.63 -0.10 0.00 0.00 0.00 0.00 56.01 56.52 1z5f n LEU 47 Cb 0.80 -0.60 0.03 0.00 0.00 0.00 0.00 43.42 43.64 1z5f n LEU 47 CO 0.42 -0.56 -0.07 0.00 0.00 0.00 0.00 177.39 177.18 1z5f s LYS 49 N -3.26 3.47 0.00 0.00 -2.85 -1.16 -3.98 119.74 111.95 1z5f s LYS 49 Ca 0.29 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1z5f s LYS 49 Cb 0.43 -2.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 1z5f s LYS 49 CO 0.01 0.51 0.00 0.09 0.10 0.00 0.00 175.35 176.05 1z5f n ASN 50 N -0.38 0.00 -4.27 0.03 5.03 -1.26 -4.92 115.26 109.49 1z5f n ASN 50 Ca -0.06 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.10 1z5f n ASN 50 Cb 0.53 -2.30 0.20 0.00 -1.02 0.00 0.00 39.78 37.19 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1z5f s ILE 51 N -0.99 1.82 0.00 2.41 -1.09 -1.25 -5.05 121.20 117.05 1z5f s ILE 51 Ca 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1z5f s ILE 51 Cb 0.00 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1z5f s ILE 51 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 174.94 174.25 1z5f n ARG 52 N -4.37 1.58 0.00 2.79 1.74 -1.26 -4.49 116.66 112.65 1z5f n ARG 52 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1z5f n ARG 52 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1z5f n ARG 52 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1z5f n ASP 53 N -1.00 0.00 -4.63 0.55 8.00 -1.26 -2.24 116.55 115.97 1z5f n ASP 53 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1z5f n ASP 53 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1z5f n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1z5f s ASN 54 N -2.01 6.08 0.15 -2.24 4.22 -1.22 -3.94 114.94 115.98 1z5f s ASN 54 Ca 0.00 1.95 -0.16 0.00 -2.14 0.00 0.00 52.86 52.51 1z5f s ASN 54 Cb 0.00 -2.52 0.03 0.00 1.28 0.00 0.00 41.25 40.03 1z5f s ASN 54 CO 0.00 -1.45 0.43 -0.89 -2.04 0.00 0.00 177.10 173.15 1z5f s THR 55 N 6.07 0.05 0.32 0.54 2.01 -0.91 -4.96 115.64 118.77 1z5f s THR 55 Ca 0.85 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.97 1z5f s THR 55 Cb -0.32 -1.39 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 1z5f s THR 55 CO 0.34 -0.24 0.73 -1.81 -0.69 0.00 0.00 174.62 172.95 1z5f s ASP 56 N -2.85 6.74 0.17 3.53 1.01 -1.26 -2.32 116.67 121.70 1z5f s ASP 56 Ca 0.07 1.25 -0.04 0.00 0.71 0.00 0.00 52.55 54.53 1z5f s ASP 56 Cb 0.01 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1z5f s ASP 56 CO -0.07 -0.21 0.17 0.68 0.21 0.00 0.00 175.17 175.95 1z5f s VAL 57 N -2.01 0.06 -0.01 -1.27 -7.23 -0.17 -4.96 120.40 104.81 1z5f s VAL 57 Ca 0.54 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1z5f s VAL 57 Cb -0.10 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1z5f s VAL 57 CO 0.19 -0.25 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.37 1z5f s LEU 58 N -3.06 2.04 0.97 1.32 1.98 -1.26 -2.38 118.68 118.29 1z5f s LEU 58 Ca 0.26 -0.26 -0.13 0.00 -2.89 0.00 0.00 54.13 51.12 1z5f s LEU 58 Cb 0.06 -0.68 0.09 0.00 0.66 0.00 0.00 46.19 46.31 1z5f s LEU 58 CO 0.05 0.15 0.61 -0.24 -1.89 0.00 0.00 176.35 175.03 1z5f n SER 59 N 2.68 -1.43 -0.20 3.68 2.88 -0.74 -4.88 113.62 115.61 1z5f n SER 59 Ca -0.14 0.28 -0.08 0.00 -1.33 0.00 0.00 58.87 57.59 1z5f n SER 59 Cb 0.55 -1.26 0.02 0.00 -0.75 0.00 0.00 64.21 62.78 1z5f n SER 59 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1z5f h ARG 60 N -1.78 0.94 0.00 -1.46 9.65 -1.98 -3.46 114.38 116.29 1z5f h ARG 60 Ca -0.46 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1z5f h ARG 60 Cb 1.29 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1z5f h ARG 60 CO 0.37 0.88 0.00 -0.40 2.80 0.00 0.00 179.97 183.63 1z5f n ASP 61 N -4.35 -0.21 -3.97 -3.80 5.68 -1.26 -5.08 116.55 103.56 1z5f n ASP 61 Ca 0.03 0.06 -0.08 0.00 -0.50 0.00 0.00 54.79 54.29 1z5f n ASP 61 Cb 0.26 0.47 -0.08 0.00 -1.14 0.00 0.00 41.12 40.62 1z5f n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1z5f s ALA 62 N -1.45 0.14 -0.12 2.12 0.00 -1.26 -2.32 121.76 118.88 1z5f s ALA 62 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 1z5f s ALA 62 Cb 0.00 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.64 1z5f s ALA 62 CO 0.00 -0.47 0.27 -0.06 0.00 0.00 0.00 175.76 175.50 1z5f s PHE 63 N -3.91 -0.37 -0.43 0.00 0.40 -0.63 -4.71 117.98 108.34 1z5f s PHE 63 Ca 0.08 0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 56.99 1z5f s PHE 63 Cb 0.06 0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.70 1z5f s PHE 63 CO -0.09 -0.25 1.11 -1.17 0.70 0.00 0.00 175.22 175.53 1z5f s LEU 64 N 1.23 3.74 -0.07 -0.37 0.20 -1.26 -2.48 118.68 119.68 1z5f s LEU 64 Ca -0.09 0.64 0.05 0.00 0.69 0.00 0.00 54.13 55.43 1z5f s LEU 64 Cb -0.10 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.12 1z5f s LEU 64 CO -0.09 -1.12 -0.23 -1.48 -0.29 0.00 0.00 176.35 173.14 1z5f s LEU 65 N 4.17 2.04 0.55 -0.68 2.34 -1.01 -2.32 118.68 123.77 1z5f s LEU 65 Ca 0.47 -0.49 -0.17 0.00 0.06 0.00 0.00 54.13 53.99 1z5f s LEU 65 Cb -0.09 -1.30 -0.06 0.00 -0.56 0.00 0.00 46.19 44.18 1z5f s LEU 65 CO 0.26 0.20 1.05 -2.16 -1.06 0.00 0.00 176.35 174.64 1z5f s PRO 66 N 0.02 3.53 -0.09 1.48 0.04 -1.23 -3.26 135.00 135.49 1z5f s PRO 66 Ca -0.08 1.24 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 1z5f s PRO 66 Cb -0.15 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1z5f s PRO 66 CO 0.05 -0.64 0.23 -1.14 0.04 0.00 0.00 177.00 175.54 1z5f s GLN 67 N -3.78 0.23 -0.19 4.56 0.74 0.63 -2.26 119.66 119.58 1z5f s GLN 67 Ca 0.65 0.42 -0.07 0.00 0.05 0.00 0.00 55.36 56.41 1z5f s GLN 67 Cb -0.16 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 1z5f s GLN 67 CO 0.31 -0.10 0.05 0.00 -0.55 0.00 0.00 175.29 174.99 1z5f s ASP 69 N 0.64 2.30 0.25 0.00 2.15 -1.08 -1.86 116.67 119.08 1z5f s ASP 69 Ca 0.02 -0.39 -0.30 0.00 0.43 0.00 0.00 52.55 52.32 1z5f s ASP 69 Cb -0.13 -1.00 -0.10 0.00 -0.30 0.00 0.00 42.92 41.39 1z5f s ASP 69 CO 0.02 -0.02 1.32 -0.60 -0.17 0.00 0.00 175.17 175.71 1z5f s ARG 70 N 1.18 4.38 0.00 4.34 3.52 -0.69 -1.01 118.95 130.67 1z5f s ARG 70 Ca -0.03 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 1z5f s ARG 70 Cb -0.14 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1z5f s ARG 70 CO -0.04 -0.23 0.00 -0.89 -0.81 0.00 0.00 175.30 173.33 1z5f n ILE 71 N 1.91 0.00 -3.91 4.11 2.08 -1.22 -4.93 119.36 117.40 1z5f n ILE 71 Ca 0.04 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.26 1z5f n ILE 71 Cb 0.42 -0.37 -0.02 0.00 -0.75 0.00 0.00 39.64 38.92 1z5f n ILE 71 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1z5f s LYS 72 N -1.52 1.89 0.40 0.38 2.20 -1.26 -5.13 119.74 116.71 1z5f s LYS 72 Ca 0.00 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 1z5f s LYS 72 Cb 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1z5f s LYS 72 CO 0.00 -0.85 0.00 1.28 -0.36 0.00 0.00 175.35 175.42 1z5f n LEU 73 N -0.48 -0.77 0.05 5.43 4.77 -1.26 -4.02 117.00 120.72 1z5f n LEU 73 Ca -0.04 1.74 0.12 0.00 -0.03 0.00 0.00 56.01 57.80 1z5f n LEU 73 Cb 0.60 -4.40 0.08 0.00 -2.33 0.00 0.00 43.42 37.37 1z5f n LEU 73 CO 0.23 -3.34 0.13 -0.81 -1.33 0.00 0.00 177.39 172.27 1z5f n PRO 74 N -4.21 0.34 -3.00 3.23 -0.04 -1.26 -4.56 135.00 125.50 1z5f n PRO 74 Ca -0.02 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1z5f n PRO 74 Cb 0.65 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1z5f n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z5f s HIS 76 N -0.82 -0.63 0.37 0.00 5.04 -1.26 -5.00 115.29 113.00 1z5f s HIS 76 Ca 0.33 1.04 0.08 0.00 -1.54 0.00 0.00 55.06 54.97 1z5f s HIS 76 Cb 0.26 0.05 -0.06 0.00 0.04 0.00 0.00 32.58 32.87 1z5f s HIS 76 CO -0.12 -0.51 0.02 0.71 -2.34 0.00 0.00 174.74 172.50 1z5f s TYR 77 N 2.50 2.52 0.17 3.88 1.51 -1.26 -3.39 117.35 123.29 1z5f s TYR 77 Ca 0.04 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1z5f s TYR 77 Cb -0.13 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1z5f s TYR 77 CO -0.12 0.44 0.11 -1.59 -1.11 0.00 0.00 175.55 173.27 1z5f s LYS 78 N -3.73 2.79 -0.16 -0.62 0.00 -0.18 -4.82 119.74 113.03 1z5f s LYS 78 Ca 0.36 -0.92 -0.21 0.00 0.00 0.00 0.00 55.97 55.20 1z5f s LYS 78 Cb 0.04 -2.58 -0.03 0.00 0.00 0.00 0.00 37.83 35.25 1z5f s LYS 78 CO 0.19 0.48 0.60 -1.17 0.00 0.00 0.00 175.35 175.45 1z5f s LEU 79 N -3.08 4.20 -0.10 2.77 1.98 -1.26 -2.63 118.68 120.56 1z5f s LEU 79 Ca 0.30 0.89 -0.04 0.00 -2.89 0.00 0.00 54.13 52.39 1z5f s LEU 79 Cb -0.10 -2.87 0.05 0.00 0.66 0.00 0.00 46.19 43.93 1z5f s LEU 79 CO 0.22 -0.18 0.21 -0.55 -1.89 0.00 0.00 176.35 174.16 1z5f s SER 80 N 1.00 0.41 0.09 3.68 0.15 -0.61 -4.98 113.70 113.44 1z5f s SER 80 Ca 0.29 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.41 1z5f s SER 80 Cb -0.16 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1z5f s SER 80 CO 0.12 -0.23 -0.06 -0.44 1.20 0.00 0.00 173.24 173.83 1z5f s SER 81 N 2.13 1.02 0.15 5.45 0.01 -1.26 -0.27 113.70 120.92 1z5f s SER 81 Ca -0.00 -1.00 -0.24 0.00 1.31 0.00 0.00 55.95 56.02 1z5f s SER 81 Cb -0.12 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.29 1z5f s SER 81 CO -0.07 -0.49 0.75 -0.55 0.41 0.00 0.00 173.24 173.29 1z5f s SER 82 N -3.01 -0.39 -0.27 2.44 0.15 -1.20 -4.96 113.70 106.46 1z5f s SER 82 Ca 0.11 -0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.46 1z5f s SER 82 Cb 0.06 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 1z5f s SER 82 CO -0.06 -0.97 0.11 0.42 1.20 0.00 0.00 173.24 173.94 1z5f s THR 83 N -3.58 4.51 0.09 6.45 -4.23 -1.26 -2.42 115.64 115.20 1z5f s THR 83 Ca 0.06 -0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.08 1z5f s THR 83 Cb -0.02 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1z5f s THR 83 CO -0.05 0.23 0.63 0.54 -0.54 0.00 0.00 174.62 175.43 1z5f s ASN 84 N 1.63 -0.60 0.69 3.99 4.22 -1.03 -4.60 114.94 119.24 1z5f s ASN 84 Ca 0.06 0.24 -0.14 0.00 -2.14 0.00 0.00 52.86 50.88 1z5f s ASN 84 Cb -0.16 0.57 0.02 0.00 1.28 0.00 0.00 41.25 42.96 1z5f s ASN 84 CO 0.05 -0.84 1.11 -0.89 -2.04 0.00 0.00 177.10 174.49 1z5f s THR 85 N -2.87 3.26 0.16 0.54 2.01 -0.98 -1.61 115.64 116.15 1z5f s THR 85 Ca -0.03 0.53 -0.00 0.00 0.31 0.00 0.00 61.69 62.50 1z5f s THR 85 Cb -0.01 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1z5f s THR 85 CO -0.05 -0.42 0.06 0.27 -0.69 0.00 0.00 174.62 173.79 1z5f s ILE 86 N -2.51 0.23 -0.10 1.82 -4.36 -1.17 0.27 121.20 115.38 1z5f s ILE 86 Ca 0.65 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 1z5f s ILE 86 Cb -0.20 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.32 1z5f s ILE 86 CO 0.46 -0.35 -0.14 0.00 0.24 0.00 0.00 174.94 175.15 1z5f s ILE 88 N -0.09 0.12 -0.12 0.00 2.07 -1.00 -0.98 121.20 121.19 1z5f s ILE 88 Ca -0.02 -0.95 -0.02 0.00 -1.41 0.00 0.00 60.65 58.26 1z5f s ILE 88 Cb -0.14 -1.12 -0.03 0.00 0.13 0.00 0.00 42.46 41.30 1z5f s ILE 88 CO 0.04 -0.52 -0.06 -0.89 -1.91 0.00 0.00 174.94 171.60 1z5f s THR 89 N -3.22 3.75 0.11 4.00 2.01 -0.97 -1.00 115.64 120.32 1z5f s THR 89 Ca -0.00 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1z5f s THR 89 Cb 0.02 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1z5f s THR 89 CO -0.08 0.54 -0.16 0.00 -0.69 0.00 0.00 174.62 174.23 1z5f n VAL 91 N 0.81 0.00 -0.44 0.00 0.24 -0.20 -2.15 118.33 116.59 1z5f n VAL 91 Ca -0.17 0.00 0.36 0.00 -2.04 0.00 0.00 64.34 62.49 1z5f n VAL 91 Cb 0.56 0.00 0.66 0.00 -1.47 0.00 0.00 33.84 33.59 1z5f n VAL 91 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1z5f h ASN 92 N 0.00 0.21 0.00 -1.34 -1.24 -1.57 -3.33 115.58 108.30 1z5f h ASN 92 Ca 0.00 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 1z5f h ASN 92 Cb 0.00 0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.05 1z5f h ASN 92 CO 0.00 -0.07 0.24 0.00 -1.29 0.00 0.00 177.43 176.31 1z5f n GLN 93 N -4.48 0.00 -3.62 6.67 10.64 -1.26 -3.80 117.38 121.53 1z5f n GLN 93 Ca 0.34 -0.41 -0.10 0.00 -1.83 0.00 0.00 57.00 55.00 1z5f n GLN 93 Cb 1.37 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.65 1z5f n GLN 93 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1z5f s LEU 94 N -1.64 -0.55 -0.04 2.61 2.96 -1.25 -4.81 118.68 115.95 1z5f s LEU 94 Ca 0.00 0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 54.41 1z5f s LEU 94 Cb 0.00 1.16 -0.03 0.00 0.50 0.00 0.00 46.19 47.82 1z5f s LEU 94 CO -0.00 -0.24 1.10 -2.16 -1.32 0.00 0.00 176.35 173.73 1z5f s PRO 95 N 2.56 4.43 0.00 0.98 0.04 -1.26 -1.03 135.00 140.71 1z5f s PRO 95 Ca 0.01 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1z5f s PRO 95 Cb -0.12 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1z5f s PRO 95 CO -0.12 -0.30 0.00 0.44 0.04 0.00 0.00 177.00 177.06 1z5f n ILE 96 N 4.35 0.00 -5.16 0.56 -6.64 -1.11 -3.86 119.36 107.50 1z5f n ILE 96 Ca 0.09 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.77 1z5f n ILE 96 Cb 0.48 1.13 -0.16 0.00 -1.44 0.00 0.00 39.64 39.65 1z5f n ILE 96 CO 0.00 0.00 0.00 -1.00 -1.77 0.00 0.00 176.55 173.78 1z5f s HIS 97 N 0.00 2.19 -0.43 4.28 3.76 -1.02 -4.27 115.29 119.80 1z5f s HIS 97 Ca 0.00 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 1z5f s HIS 97 Cb 0.00 -1.39 0.11 0.00 1.11 0.00 0.00 32.58 32.40 1z5f s HIS 97 CO 0.00 -0.01 0.26 0.12 -0.85 0.00 0.00 174.74 174.26 1z5f s PHE 98 N -0.61 3.49 0.00 1.40 5.36 -1.26 -2.29 117.98 124.06 1z5f s PHE 98 Ca 0.10 -2.09 0.00 0.00 -0.96 0.00 0.00 56.93 53.98 1z5f s PHE 98 Cb -0.09 -3.27 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 1z5f s PHE 98 CO -0.00 -0.96 0.77 0.00 -1.46 0.00 0.00 175.22 173.56 1z5f n ALA 99 N 4.76 -0.32 -2.15 11.12 0.00 -0.15 -4.98 120.51 128.77 1z5f n ALA 99 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1z5f n ALA 99 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1z5f n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z5f n GLY 100 N -0.54 2.37 3.08 0.00 0.00 -1.11 -5.00 105.19 103.99 1z5f n GLY 100 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1z5f n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z5f s VAL 101 N 0.91 0.63 0.00 1.61 1.01 -1.26 -4.08 120.40 119.21 1z5f s VAL 101 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1z5f s VAL 101 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1z5f s VAL 101 CO 0.00 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.36 1z5f n GLY 102 N 1.45 2.23 3.62 4.51 0.00 0.75 -4.81 105.19 112.94 1z5f n GLY 102 Ca -0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1z5f n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z5f s SER 103 N -3.58 -0.31 0.97 1.61 1.04 -1.25 -3.02 113.70 109.15 1z5f s SER 103 Ca 0.00 0.49 -0.10 0.00 0.48 0.00 0.00 55.95 56.82 1z5f s SER 103 Cb 0.00 0.46 0.17 0.00 0.10 0.00 0.00 66.02 66.76 1z5f s SER 103 CO 0.00 -0.18 1.13 0.00 0.98 0.00 0.00 173.24 175.16