#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 -1.89 0.36 115.95 115.66 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 0.39 -0.00 0.00 0.00 178.44 178.83 1z5f n GLU 4 N -4.00 0.00 -0.17 2.65 -0.58 -1.26 -0.77 120.64 116.52 1z5f n GLU 4 Ca 0.11 0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 56.92 1z5f n GLU 4 Cb 0.74 -1.04 0.05 0.00 -0.57 0.00 0.00 31.44 30.62 1z5f n GLU 4 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1z5f h THR 5 N 0.00 0.51 -0.40 2.62 1.03 -1.94 1.40 112.91 116.13 1z5f h THR 5 Ca 0.00 -0.01 0.11 0.00 -0.01 0.00 0.00 66.41 66.50 1z5f h THR 5 Cb 0.00 0.47 -0.02 0.00 -1.07 0.00 0.00 68.15 67.54 1z5f h THR 5 CO 0.00 0.01 0.62 0.15 -0.01 0.00 0.00 175.52 176.29 1z5f h PHE 6 N 0.04 0.00 0.00 0.00 3.57 -0.97 1.97 116.94 121.55 1z5f h PHE 6 Ca 0.26 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1z5f h PHE 6 Cb 0.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1z5f h PHE 6 CO -0.40 0.00 -1.10 0.94 -2.23 0.00 0.00 178.31 175.52 1z5f n GLN 7 N -3.30 0.61 -0.10 1.11 0.00 0.47 -2.95 117.38 113.21 1z5f n GLN 7 Ca 0.08 0.14 -0.20 0.00 -0.00 0.00 0.00 57.00 57.01 1z5f n GLN 7 Cb 0.78 -1.82 -0.10 0.00 0.00 0.00 0.00 30.24 29.10 1z5f n GLN 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1z5f n LYS 8 N -2.71 0.55 -0.10 3.69 4.76 0.65 -3.86 118.16 121.15 1z5f n LYS 8 Ca -0.02 0.56 -0.21 0.00 -2.87 0.00 0.00 58.31 55.77 1z5f n LYS 8 Cb 0.60 -1.73 -0.12 0.00 -1.84 0.00 0.00 35.03 31.94 1z5f n LYS 8 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1z5f h LYS 9 N -1.00 0.02 0.00 1.97 2.10 -1.13 -3.37 116.57 115.15 1z5f h LYS 9 Ca -0.33 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1z5f h LYS 9 Cb 1.23 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1z5f h LYS 9 CO -0.20 1.01 0.00 0.72 -2.00 0.00 0.00 179.45 178.98 1z5f n HIS 10 N -4.39 0.37 -4.20 0.07 8.25 -1.20 -4.64 115.22 109.47 1z5f n HIS 10 Ca -0.31 0.13 -0.16 0.00 -0.26 0.00 0.00 57.72 57.12 1z5f n HIS 10 Cb 0.69 -0.71 -0.11 0.00 1.12 0.00 0.00 29.99 30.98 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 -3.65 2.40 0.00 2.41 1.02 -1.15 0.36 118.68 120.06 1z5f s LEU 11 Ca 0.09 -0.80 0.00 0.00 0.02 0.00 0.00 54.13 53.44 1z5f s LEU 11 Cb 0.12 -0.41 0.00 0.00 0.02 0.00 0.00 46.19 45.92 1z5f s LEU 11 CO 0.42 -0.21 0.00 1.07 0.02 0.00 0.00 176.35 177.65 1z5f n THR 12 N 0.60 0.00 -0.00 5.49 5.66 -1.10 -4.32 114.28 120.61 1z5f n THR 12 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1z5f n THR 12 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1z5f n THR 12 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1z5f n ASP 13 N -0.44 1.60 -3.80 1.09 2.03 -1.26 -4.52 116.55 111.26 1z5f n ASP 13 Ca 0.00 -1.61 -0.11 0.00 0.52 0.00 0.00 54.79 53.59 1z5f n ASP 13 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1z5f n ASP 13 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1z5f s THR 14 N -0.61 0.10 0.03 5.18 -1.32 -1.26 -5.01 115.64 112.75 1z5f s THR 14 Ca 0.00 -0.83 0.20 0.00 -1.21 0.00 0.00 61.69 59.84 1z5f s THR 14 Cb 0.00 -1.01 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1z5f s THR 14 CO 0.00 -0.46 1.67 0.07 -2.21 0.00 0.00 174.62 173.69 1z5f h LYS 15 N 3.18 0.00 -2.32 7.08 2.10 -1.94 -3.32 116.57 121.34 1z5f h LYS 15 Ca -0.32 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.69 1z5f h LYS 15 Cb 1.20 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.14 1z5f h LYS 15 CO 0.48 0.35 -0.32 0.36 -2.00 0.00 0.00 179.45 178.32 1z5f n LYS 16 N -3.37 3.02 -0.71 0.07 2.85 -1.26 -4.26 118.16 114.50 1z5f n LYS 16 Ca 0.01 -4.68 -0.33 0.00 -1.05 0.00 0.00 58.31 52.26 1z5f n LYS 16 Cb 0.55 -2.31 0.16 0.00 -0.65 0.00 0.00 35.03 32.79 1z5f n LYS 16 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1z5f n VAL 17 N 0.78 0.00 -2.69 0.58 0.24 -1.25 -4.84 118.33 111.15 1z5f n VAL 17 Ca 0.30 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1z5f n VAL 17 Cb 0.39 -0.59 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.87 4.77 -0.16 7.34 0.00 -1.26 -4.85 118.16 122.14 1z5f n LYS 18 Ca 0.02 -4.38 0.15 0.00 -0.00 0.00 0.00 58.31 54.10 1z5f n LYS 18 Cb 0.61 -2.55 0.27 0.00 -0.00 0.00 0.00 35.03 33.35 1z5f n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1z5f h ASP 20 N 0.00 0.41 0.00 0.00 3.58 -1.90 -0.81 116.42 117.69 1z5f h ASP 20 Ca 0.38 0.11 -0.37 0.00 0.42 0.00 0.00 57.03 57.57 1z5f h ASP 20 Cb 1.05 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.09 1z5f h ASP 20 CO -0.30 0.14 -2.39 0.52 -2.88 0.00 0.00 179.24 174.33 1z5f n VAL 21 N -4.95 1.39 0.00 2.25 0.31 0.61 -2.16 118.33 115.78 1z5f n VAL 21 Ca 0.17 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1z5f n VAL 21 Cb 0.47 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 -3.00 0.00 0.00 5.55 4.07 0.54 -1.05 120.64 126.75 1z5f n GLU 22 Ca -0.39 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1z5f n GLU 22 Cb 1.05 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.85 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 -1.22 0.00 0.00 5.31 2.81 -0.34 -4.69 117.12 118.99 1z5f n MET 23 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1z5f n MET 23 Cb 0.07 -0.55 0.34 0.00 -0.71 0.00 0.00 33.22 32.38 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 -2.59 2.22 -1.00 3.04 0.00 -0.92 -0.63 120.51 120.63 1z5f n ALA 24 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1z5f n ALA 24 Cb 0.35 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.77 -0.37 -0.00 0.00 5.02 -0.22 -4.55 118.16 117.26 1z5f n LYS 25 Ca 0.09 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.48 1z5f n LYS 25 Cb 0.04 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.91 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 -2.24 4.15 1.11 7.82 0.00 -1.26 -3.23 120.51 126.86 1z5f n ALA 26 Ca 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 53.44 52.99 1z5f n ALA 26 Cb 0.00 -0.76 0.18 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.74 2.39 -0.02 0.00 -0.00 -1.26 -4.45 117.00 111.92 1z5f n LEU 27 Ca 0.01 -0.81 -0.05 0.00 -0.00 0.00 0.00 56.01 55.17 1z5f n LEU 27 Cb 0.40 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.80 1z5f n LEU 27 CO 0.44 0.41 -0.66 0.49 -0.00 0.00 0.00 177.39 178.06 1z5f n PHE 28 N 0.72 0.00 -2.37 1.47 3.72 -1.26 -5.05 117.46 114.69 1z5f n PHE 28 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1z5f n PHE 28 Cb 0.51 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1z5f n PHE 28 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1z5f n ASP 29 N -3.06 -1.77 -3.47 4.37 -0.08 -1.19 -4.14 116.55 107.21 1z5f n ASP 29 Ca -0.09 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.97 1z5f n ASP 29 Cb 0.57 -0.50 0.05 0.00 2.34 0.00 0.00 41.12 43.58 1z5f n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1z5f n LYS 31 N -3.51 3.06 0.00 0.00 4.76 -1.26 -4.96 118.16 116.25 1z5f n LYS 31 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1z5f n LYS 31 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1z5f n LYS 31 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1z5f n LYS 32 N 0.00 0.01 -4.24 1.97 5.02 -1.26 -4.95 118.16 114.71 1z5f n LYS 32 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1z5f n LYS 32 Cb 0.00 -0.51 -0.13 0.00 -0.02 0.00 0.00 35.03 34.37 1z5f n LYS 32 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1z5f s THR 33 N -1.02 0.88 -0.03 -0.18 -1.32 -1.26 0.11 115.64 112.83 1z5f s THR 33 Ca 0.00 -0.94 -0.29 0.00 -1.21 0.00 0.00 61.69 59.25 1z5f s THR 33 Cb 0.00 -0.83 0.09 0.00 -1.51 0.00 0.00 72.50 70.25 1z5f s THR 33 CO 0.00 -0.09 0.77 0.21 -2.21 0.00 0.00 174.62 173.29 1z5f s ASN 34 N -1.16 -0.54 0.06 8.08 2.47 0.35 -4.96 114.94 119.24 1z5f s ASN 34 Ca -0.01 0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.70 1z5f s ASN 34 Cb -0.08 0.47 -0.03 0.00 -1.45 0.00 0.00 41.25 40.17 1z5f s ASN 34 CO 0.01 -0.61 -0.07 -0.89 -3.72 0.00 0.00 177.10 171.82 1z5f s THR 35 N -1.90 0.52 0.31 -5.21 2.01 -1.26 -0.88 115.64 109.24 1z5f s THR 35 Ca -0.05 -1.38 -0.05 0.00 0.31 0.00 0.00 61.69 60.52 1z5f s THR 35 Cb -0.00 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1z5f s THR 35 CO 0.01 -0.59 0.46 -0.36 -0.69 0.00 0.00 174.62 173.46 1z5f s PHE 36 N -2.26 0.87 -0.08 4.92 0.40 -0.96 -4.61 117.98 116.25 1z5f s PHE 36 Ca -0.03 -1.15 0.03 0.00 -0.60 0.00 0.00 56.93 55.19 1z5f s PHE 36 Cb -0.04 -0.02 0.01 0.00 0.51 0.00 0.00 43.02 43.48 1z5f s PHE 36 CO -0.02 -1.08 -0.17 0.42 0.70 0.00 0.00 175.22 175.07 1z5f s ILE 37 N -3.33 1.51 -0.62 0.64 1.01 0.16 -3.51 121.20 117.05 1z5f s ILE 37 Ca 0.29 -0.69 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 1z5f s ILE 37 Cb -0.00 -1.34 0.08 0.00 0.01 0.00 0.00 42.46 41.21 1z5f s ILE 37 CO 0.17 0.44 0.84 -0.47 0.00 0.00 0.00 174.94 175.91 1z5f s TYR 38 N 0.57 2.83 -0.02 3.97 5.04 -0.99 -2.69 117.35 126.06 1z5f s TYR 38 Ca -0.16 -0.71 -0.19 0.00 -2.44 0.00 0.00 57.07 53.57 1z5f s TYR 38 Cb -0.17 -4.14 0.04 0.00 0.35 0.00 0.00 41.96 38.04 1z5f s TYR 38 CO 0.05 -1.47 0.41 0.00 -1.34 0.00 0.00 175.55 173.20 1z5f s ALA 39 N 3.42 -1.04 0.24 3.97 0.00 -1.26 -4.69 121.76 122.39 1z5f s ALA 39 Ca 0.17 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 1z5f s ALA 39 Cb -0.20 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 1z5f s ALA 39 CO 0.09 -0.29 0.76 -0.48 0.00 0.00 0.00 175.76 175.84 1z5f s LEU 40 N -1.29 4.32 0.19 0.00 0.05 -1.26 -4.86 118.68 115.83 1z5f s LEU 40 Ca -0.13 1.47 -0.18 0.00 0.05 0.00 0.00 54.13 55.35 1z5f s LEU 40 Cb -0.04 -3.68 0.15 0.00 -2.05 0.00 0.00 46.19 40.57 1z5f s LEU 40 CO 0.06 0.00 1.35 -2.65 -0.55 0.00 0.00 176.35 174.56 1z5f n PRO 41 N 0.63 -0.25 -0.06 1.48 -0.02 -1.26 -0.78 135.00 134.74 1z5f n PRO 41 Ca -0.01 1.34 -0.07 0.00 -2.02 0.00 0.00 63.50 62.73 1z5f n PRO 41 Cb 0.51 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.04 2.00 -1.23 0.00 -1.98 0.20 103.07 102.10 1z5f h GLY 42 Ca 0.27 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1z5f h GLY 42 CO -0.86 -0.16 -0.14 3.21 0.00 0.00 0.00 176.54 178.59 1z5f h ARG 43 N -0.13 0.00 0.11 4.80 2.47 -1.34 0.22 114.38 120.51 1z5f h ARG 43 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1z5f h ARG 43 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1z5f h ARG 43 CO -0.34 0.14 -0.05 0.28 0.56 0.00 0.00 179.97 180.56 1z5f h VAL 44 N 0.00 0.34 0.00 2.04 2.07 0.29 -2.32 116.25 118.67 1z5f h VAL 44 Ca -0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1z5f h VAL 44 Cb 0.26 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1z5f h VAL 44 CO 0.02 0.11 0.00 0.07 0.02 0.00 0.00 177.57 177.79 1z5f h LYS 45 N -1.01 0.00 -0.02 1.57 2.10 -0.67 -2.39 116.57 116.15 1z5f h LYS 45 Ca -0.01 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.50 1z5f h LYS 45 Cb 0.29 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1z5f h LYS 45 CO 0.02 0.00 -0.52 0.00 -2.00 0.00 0.00 179.45 176.95 1z5f h ALA 46 N 2.00 0.09 0.00 0.07 0.00 -0.59 -2.99 119.26 117.85 1z5f h ALA 46 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1z5f h ALA 46 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1z5f h ALA 46 CO 0.00 0.31 0.03 1.28 0.00 0.00 0.00 179.25 180.87 1z5f n LEU 47 N -4.27 0.00 -0.48 0.00 4.32 -0.88 0.11 117.00 115.80 1z5f n LEU 47 Ca -0.10 0.40 0.06 0.00 -0.02 0.00 0.00 56.01 56.35 1z5f n LEU 47 Cb 0.63 -0.40 0.15 0.00 -1.62 0.00 0.00 43.42 42.18 1z5f n LEU 47 CO 0.45 -0.40 0.62 0.00 -1.22 0.00 0.00 177.39 176.84 1z5f s LYS 49 N -1.87 4.25 0.00 0.00 -2.85 0.12 -3.71 119.74 115.67 1z5f s LYS 49 Ca 0.26 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 56.02 1z5f s LYS 49 Cb 0.19 -3.16 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 1z5f s LYS 49 CO 0.08 0.58 0.00 -1.71 0.10 0.00 0.00 175.35 174.40 1z5f n ASN 50 N 1.47 0.00 -4.46 0.03 5.15 -1.26 -4.98 115.26 111.21 1z5f n ASN 50 Ca -0.08 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.61 1z5f n ASN 50 Cb 0.51 -0.66 0.16 0.00 -0.53 0.00 0.00 39.78 39.26 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1z5f s ILE 51 N -2.73 1.93 0.00 -1.44 -1.09 -1.24 -5.08 121.20 111.54 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 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 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 -3.89 3.67 0.00 2.79 1.74 -1.26 -4.70 116.66 115.01 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 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 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 0.00 0.00 -4.59 0.55 8.00 -1.26 -2.40 116.55 116.85 1z5f n ASP 53 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 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 -1.12 5.58 0.09 -2.24 6.03 -1.21 -3.90 114.94 118.18 1z5f s ASN 54 Ca 0.00 1.48 -0.07 0.00 -1.03 0.00 0.00 52.86 53.24 1z5f s ASN 54 Cb 0.00 -2.52 -0.01 0.00 -3.03 0.00 0.00 41.25 35.69 1z5f s ASN 54 CO 0.00 -1.92 0.16 -0.89 -2.03 0.00 0.00 177.10 172.41 1z5f s THR 55 N 7.93 0.15 -0.32 0.54 2.01 -0.89 -4.95 115.64 120.11 1z5f s THR 55 Ca 0.89 -1.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.33 1z5f s THR 55 Cb -0.26 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1z5f s THR 55 CO 0.33 -0.67 0.71 1.51 -0.69 0.00 0.00 174.62 175.81 1z5f s ASP 56 N -2.89 6.56 0.54 3.53 1.47 -1.26 -2.38 116.67 122.25 1z5f s ASP 56 Ca 0.07 0.49 0.04 0.00 1.18 0.00 0.00 52.55 54.33 1z5f s ASP 56 Cb 0.05 -2.37 0.03 0.00 -0.34 0.00 0.00 42.92 40.29 1z5f s ASP 56 CO -0.09 -0.57 0.31 0.68 0.68 0.00 0.00 175.17 176.17 1z5f s VAL 57 N 2.81 1.49 -0.26 2.11 -7.23 0.49 -4.96 120.40 114.86 1z5f s VAL 57 Ca 0.29 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.59 1z5f s VAL 57 Cb -0.14 -2.11 0.07 0.00 0.56 0.00 0.00 36.38 34.76 1z5f s VAL 57 CO 0.13 0.00 0.73 -0.22 -0.31 0.00 0.00 175.10 175.43 1z5f s LEU 58 N -4.19 -0.74 0.85 1.32 2.96 -1.26 -1.85 118.68 115.77 1z5f s LEU 58 Ca 0.26 1.41 -0.14 0.00 -0.22 0.00 0.00 54.13 55.45 1z5f s LEU 58 Cb -0.01 2.45 0.04 0.00 0.50 0.00 0.00 46.19 49.16 1z5f s LEU 58 CO 0.16 -0.26 0.70 -0.24 -1.32 0.00 0.00 176.35 175.39 1z5f n SER 59 N 2.62 -0.88 -0.53 3.68 2.88 -1.08 -4.88 113.62 115.42 1z5f n SER 59 Ca -0.14 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 58.00 1z5f n SER 59 Cb 0.55 -1.31 0.37 0.00 -0.75 0.00 0.00 64.21 63.07 1z5f n SER 59 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1z5f n ARG 60 N -2.03 1.60 0.00 -1.46 1.85 -1.26 -4.76 116.66 110.61 1z5f n ARG 60 Ca 0.10 -1.07 0.00 0.00 -1.00 0.00 0.00 57.85 55.87 1z5f n ARG 60 Cb 0.52 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 1z5f n ARG 60 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1z5f n ASP 61 N 0.24 0.00 -4.04 2.89 2.03 -1.26 -5.09 116.55 111.31 1z5f n ASP 61 Ca 0.16 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.37 1z5f n ASP 61 Cb 0.41 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.75 1z5f n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z5f s ALA 62 N -1.39 0.13 -0.17 -1.67 0.00 -1.26 -2.59 121.76 114.80 1z5f s ALA 62 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 1z5f s ALA 62 Cb 0.00 1.15 0.06 0.00 0.00 0.00 0.00 23.12 24.33 1z5f s ALA 62 CO 0.00 -0.79 0.42 -0.06 0.00 0.00 0.00 175.76 175.33 1z5f s PHE 63 N -4.04 -0.62 -0.39 0.00 0.40 -0.56 -4.72 117.98 108.06 1z5f s PHE 63 Ca 0.27 1.31 -0.29 0.00 -0.60 0.00 0.00 56.93 57.63 1z5f s PHE 63 Cb 0.01 0.28 0.02 0.00 0.51 0.00 0.00 43.02 43.84 1z5f s PHE 63 CO 0.10 -0.35 1.08 -1.17 0.70 0.00 0.00 175.22 175.58 1z5f s LEU 64 N 1.40 3.83 -0.08 -0.37 0.20 -1.26 -2.49 118.68 119.91 1z5f s LEU 64 Ca -0.09 0.75 0.05 0.00 0.69 0.00 0.00 54.13 55.52 1z5f s LEU 64 Cb -0.08 -3.51 -0.00 0.00 -0.43 0.00 0.00 46.19 42.17 1z5f s LEU 64 CO -0.13 -1.03 -0.23 -1.48 -0.29 0.00 0.00 176.35 173.19 1z5f s LEU 65 N 3.95 2.04 0.66 -0.68 2.34 -1.02 -2.34 118.68 123.63 1z5f s LEU 65 Ca 0.45 -0.51 -0.12 0.00 0.06 0.00 0.00 54.13 54.02 1z5f s LEU 65 Cb -0.10 -1.32 -0.01 0.00 -0.56 0.00 0.00 46.19 44.20 1z5f s LEU 65 CO 0.22 0.19 1.05 -2.16 -1.06 0.00 0.00 176.35 174.59 1z5f s PRO 66 N 0.14 3.12 -0.10 1.48 0.04 -1.23 -3.32 135.00 135.12 1z5f s PRO 66 Ca -0.11 0.98 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 1z5f s PRO 66 Cb -0.16 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1z5f s PRO 66 CO 0.06 -0.95 0.24 -0.65 0.04 0.00 0.00 177.00 175.74 1z5f s GLN 67 N -4.83 0.19 -0.24 4.56 -0.21 0.77 -2.27 119.66 117.64 1z5f s GLN 67 Ca 0.59 0.54 -0.08 0.00 0.02 0.00 0.00 55.36 56.42 1z5f s GLN 67 Cb -0.14 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.71 1z5f s GLN 67 CO 0.50 -0.17 0.09 0.00 -2.12 0.00 0.00 175.29 173.59 1z5f s ASP 69 N 1.29 2.10 0.37 0.00 -1.08 -1.09 -0.50 116.67 117.76 1z5f s ASP 69 Ca 0.05 -0.35 -0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1z5f s ASP 69 Cb -0.15 -0.94 -0.03 0.00 -1.46 0.00 0.00 42.92 40.34 1z5f s ASP 69 CO 0.04 0.02 0.58 -0.60 0.52 0.00 0.00 175.17 175.73 1z5f s ARG 70 N 0.85 3.48 0.00 4.34 3.00 0.31 -0.31 118.95 130.62 1z5f s ARG 70 Ca -0.10 -0.27 0.00 0.00 -1.00 0.00 0.00 55.73 54.35 1z5f s ARG 70 Cb -0.15 -2.62 0.00 0.00 0.00 0.00 0.00 34.95 32.17 1z5f s ARG 70 CO 0.01 0.09 0.00 1.51 0.00 0.00 0.00 175.30 176.92 1z5f n ILE 71 N -1.85 0.00 -4.43 4.11 3.06 -1.26 -4.95 119.36 114.04 1z5f n ILE 71 Ca -0.04 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 59.99 1z5f n ILE 71 Cb 0.56 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.65 1z5f n ILE 71 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1z5f s LYS 72 N -0.56 1.71 0.30 9.51 1.02 -1.26 -5.09 119.74 125.38 1z5f s LYS 72 Ca 0.00 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.00 1z5f s LYS 72 Cb 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 1z5f s LYS 72 CO 0.00 -0.38 0.00 1.28 -0.92 0.00 0.00 175.35 175.33 1z5f n LEU 73 N -0.72 -0.58 0.01 3.17 4.77 -1.26 -4.33 117.00 118.06 1z5f n LEU 73 Ca -0.02 1.31 -0.22 0.00 -0.03 0.00 0.00 56.01 57.05 1z5f n LEU 73 Cb 0.65 -3.61 -0.14 0.00 -2.33 0.00 0.00 43.42 38.00 1z5f n LEU 73 CO 0.37 -2.55 -0.64 1.55 -1.33 0.00 0.00 177.39 174.80 1z5f h PRO 74 N -1.14 0.26 -2.09 3.23 0.13 -2.03 -3.42 132.00 126.94 1z5f h PRO 74 Ca -0.02 -0.45 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 1z5f h PRO 74 Cb 1.26 0.17 -0.40 0.00 0.13 0.00 0.00 31.00 32.15 1z5f h PRO 74 CO 0.02 1.21 -0.97 0.00 -0.23 0.00 0.00 178.00 178.04 1z5f s HIS 76 N -2.30 0.27 0.22 0.00 5.04 -1.26 -4.99 115.29 112.26 1z5f s HIS 76 Ca 0.40 -0.37 0.00 0.00 -1.54 0.00 0.00 55.06 53.56 1z5f s HIS 76 Cb 0.25 -0.18 -0.05 0.00 0.04 0.00 0.00 32.58 32.65 1z5f s HIS 76 CO -0.09 -0.12 0.10 0.71 -2.34 0.00 0.00 174.74 173.00 1z5f s TYR 77 N -1.01 1.31 0.03 3.88 1.51 -1.26 -4.27 117.35 117.53 1z5f s TYR 77 Ca -0.10 -1.25 0.02 0.00 -1.01 0.00 0.00 57.07 54.73 1z5f s TYR 77 Cb -0.07 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1z5f s TYR 77 CO -0.01 -0.45 0.03 0.21 -1.11 0.00 0.00 175.55 174.22 1z5f s LYS 78 N -4.07 2.82 -0.21 -0.62 2.47 0.57 -4.84 119.74 115.86 1z5f s LYS 78 Ca 0.36 -0.63 -0.18 0.00 -1.56 0.00 0.00 55.97 53.96 1z5f s LYS 78 Cb 0.07 -2.70 -0.03 0.00 -1.46 0.00 0.00 37.83 33.71 1z5f s LYS 78 CO 0.11 0.61 0.49 -1.17 0.16 0.00 0.00 175.35 175.55 1z5f s LEU 79 N -1.85 4.13 -0.06 5.43 0.20 -1.26 -2.68 118.68 122.59 1z5f s LEU 79 Ca 0.23 0.60 -0.03 0.00 0.69 0.00 0.00 54.13 55.62 1z5f s LEU 79 Cb -0.12 -2.65 0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1z5f s LEU 79 CO 0.14 -0.18 0.14 -0.55 -0.29 0.00 0.00 176.35 175.61 1z5f s SER 80 N 1.22 -0.10 0.08 3.68 0.15 -0.93 -4.98 113.70 112.82 1z5f s SER 80 Ca 0.22 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 57.09 1z5f s SER 80 Cb -0.15 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1z5f s SER 80 CO 0.09 -0.14 0.12 -0.94 1.20 0.00 0.00 173.24 173.57 1z5f s SER 81 N 1.12 0.24 0.17 5.45 1.04 -1.26 -0.16 113.70 120.30 1z5f s SER 81 Ca -0.09 -0.79 -0.23 0.00 0.48 0.00 0.00 55.95 55.33 1z5f s SER 81 Cb -0.11 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.37 1z5f s SER 81 CO -0.06 -0.70 0.65 -0.94 0.98 0.00 0.00 173.24 173.18 1z5f s SER 82 N -2.89 -0.49 -0.27 7.02 1.04 -1.21 -4.96 113.70 111.94 1z5f s SER 82 Ca 0.07 -0.13 -0.08 0.00 0.48 0.00 0.00 55.95 56.29 1z5f s SER 82 Cb 0.06 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 1z5f s SER 82 CO -0.10 -1.02 0.09 0.42 0.98 0.00 0.00 173.24 173.61 1z5f s THR 83 N -3.73 4.32 0.08 2.02 -4.23 -1.26 -2.44 115.64 110.41 1z5f s THR 83 Ca 0.03 -0.32 -0.26 0.00 -1.18 0.00 0.00 61.69 59.97 1z5f s THR 83 Cb -0.02 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.79 1z5f s THR 83 CO -0.08 0.23 0.64 0.54 -0.54 0.00 0.00 174.62 175.40 1z5f s ASN 84 N 1.60 -0.60 0.68 3.99 2.20 -1.04 -4.61 114.94 117.17 1z5f s ASN 84 Ca 0.05 0.25 -0.16 0.00 -0.94 0.00 0.00 52.86 52.06 1z5f s ASN 84 Cb -0.16 0.57 0.01 0.00 -2.00 0.00 0.00 41.25 39.68 1z5f s ASN 84 CO 0.04 -0.84 1.19 -0.89 -2.94 0.00 0.00 177.10 173.66 1z5f s THR 85 N -2.84 2.57 -0.01 0.54 2.01 -1.07 -1.49 115.64 115.35 1z5f s THR 85 Ca -0.03 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1z5f s THR 85 Cb -0.01 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.60 1z5f s THR 85 CO -0.05 -0.13 -0.00 0.27 -0.69 0.00 0.00 174.62 174.01 1z5f s ILE 86 N -1.95 0.10 0.06 1.82 -4.36 -1.21 0.65 121.20 116.30 1z5f s ILE 86 Ca 0.74 0.02 -0.23 0.00 -0.26 0.00 0.00 60.65 60.93 1z5f s ILE 86 Cb -0.28 -0.14 -0.06 0.00 1.25 0.00 0.00 42.46 43.23 1z5f s ILE 86 CO 0.41 0.07 0.68 0.00 0.24 0.00 0.00 174.94 176.34 1z5f s ILE 88 N -0.55 0.09 -0.12 0.00 2.07 -0.77 -0.55 121.20 121.37 1z5f s ILE 88 Ca 0.34 -0.77 -0.03 0.00 -1.41 0.00 0.00 60.65 58.78 1z5f s ILE 88 Cb -0.20 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 1z5f s ILE 88 CO 0.21 -0.43 -0.00 -0.89 -1.91 0.00 0.00 174.94 171.92 1z5f s THR 89 N -2.75 4.25 0.04 4.00 2.01 -0.95 -0.38 115.64 121.86 1z5f s THR 89 Ca -0.04 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.77 1z5f s THR 89 Cb -0.00 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1z5f s THR 89 CO -0.05 0.55 -0.16 0.00 -0.69 0.00 0.00 174.62 174.27 1z5f n VAL 91 N 1.93 0.00 -0.32 0.00 0.24 -1.04 -2.09 118.33 117.06 1z5f n VAL 91 Ca -0.17 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.31 1z5f n VAL 91 Cb 0.54 0.00 0.37 0.00 -1.47 0.00 0.00 33.84 33.28 1z5f n VAL 91 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1z5f h ASN 92 N 0.00 0.12 0.00 -1.34 -0.26 -1.64 -3.35 115.58 109.11 1z5f h ASN 92 Ca 0.00 0.21 -0.07 0.00 -0.56 0.00 0.00 56.30 55.88 1z5f h ASN 92 Cb 0.00 0.26 -0.08 0.00 -1.06 0.00 0.00 38.32 37.43 1z5f h ASN 92 CO 0.00 -0.20 0.23 0.00 -1.06 0.00 0.00 177.43 176.39 1z5f n GLN 93 N -5.21 0.10 -3.61 0.81 10.64 -1.26 -4.21 117.38 114.64 1z5f n GLN 93 Ca 0.26 -0.58 -0.11 0.00 -1.83 0.00 0.00 57.00 54.75 1z5f n GLN 93 Cb 0.84 -0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 30.11 1z5f n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1z5f s LEU 94 N -2.00 -0.51 0.00 2.61 1.02 -1.26 -4.78 118.68 113.76 1z5f s LEU 94 Ca 0.02 0.71 -0.30 0.00 0.02 0.00 0.00 54.13 54.57 1z5f s LEU 94 Cb 0.03 1.06 -0.05 0.00 0.02 0.00 0.00 46.19 47.25 1z5f s LEU 94 CO -0.01 -0.25 1.31 -2.16 0.02 0.00 0.00 176.35 175.27 1z5f s PRO 95 N 2.53 4.33 0.00 1.29 0.04 -1.26 -2.49 135.00 139.44 1z5f s PRO 95 Ca 0.02 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1z5f s PRO 95 Cb -0.13 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1z5f s PRO 95 CO -0.12 -0.48 0.00 0.44 0.04 0.00 0.00 177.00 176.88 1z5f n ILE 96 N 4.48 0.00 -5.06 0.56 -6.64 -1.19 -3.81 119.36 107.70 1z5f n ILE 96 Ca 0.12 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.81 1z5f n ILE 96 Cb 0.45 0.93 -0.15 0.00 -1.44 0.00 0.00 39.64 39.43 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 2.12 -0.42 4.28 3.76 -1.08 -4.41 115.29 119.54 1z5f s HIS 97 Ca 0.00 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 1z5f s HIS 97 Cb 0.00 -1.33 0.11 0.00 1.11 0.00 0.00 32.58 32.47 1z5f s HIS 97 CO 0.00 0.01 0.24 0.12 -0.85 0.00 0.00 174.74 174.26 1z5f s PHE 98 N -0.63 3.53 0.00 1.40 5.36 -1.26 -2.23 117.98 124.15 1z5f s PHE 98 Ca 0.09 -2.23 -0.02 0.00 -0.96 0.00 0.00 56.93 53.82 1z5f s PHE 98 Cb -0.09 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.32 1z5f s PHE 98 CO -0.00 -0.97 1.02 0.00 -1.46 0.00 0.00 175.22 173.81 1z5f h ALA 99 N 8.17 -0.91 -1.83 11.12 0.00 -1.16 -3.48 119.26 131.16 1z5f h ALA 99 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1z5f h ALA 99 Cb 1.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1z5f h ALA 99 CO 0.74 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 179.49 1z5f n GLY 100 N -1.03 0.86 3.93 0.00 0.00 -1.10 -4.99 105.19 102.87 1z5f n GLY 100 Ca -0.01 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.20 5.11 0.06 1.61 1.01 -1.26 -3.27 120.40 121.46 1z5f s VAL 101 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1z5f s VAL 101 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1z5f s VAL 101 CO 0.00 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1z5f n GLY 102 N -1.47 -1.74 3.80 4.51 0.00 0.21 -4.78 105.19 105.72 1z5f n GLY 102 Ca -0.04 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.20 4.90 0.73 1.61 1.04 -1.23 -3.18 113.70 113.37 1z5f s SER 103 Ca 0.00 1.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.79 1z5f s SER 103 Cb 0.00 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.73 1z5f s SER 103 CO 0.00 -1.74 0.28 0.00 0.98 0.00 0.00 173.24 172.76