#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 0.12 0.00 1.24 -0.00 -1.90 0.17 115.95 115.58 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 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.12 1z5f h TRP 3 CO 0.00 0.06 0.00 0.39 -0.00 0.00 0.00 178.44 178.89 1z5f n GLU 4 N -4.47 0.00 -0.14 2.65 4.71 -1.26 -0.77 120.64 121.36 1z5f n GLU 4 Ca 0.04 0.27 -0.04 0.00 -0.01 0.00 0.00 57.16 57.42 1z5f n GLU 4 Cb 0.31 -1.18 0.02 0.00 -1.01 0.00 0.00 31.44 29.58 1z5f n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1z5f h THR 5 N 0.00 0.49 -0.20 2.62 1.03 -1.96 1.53 112.91 116.42 1z5f h THR 5 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.46 1z5f h THR 5 Cb 0.00 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 67.57 1z5f h THR 5 CO 0.00 0.00 0.53 0.15 -0.01 0.00 0.00 175.52 176.19 1z5f h PHE 6 N -0.03 0.00 0.00 0.00 3.57 -0.69 2.34 116.94 122.12 1z5f h PHE 6 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1z5f h PHE 6 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1z5f h PHE 6 CO -0.42 0.00 -0.96 0.94 -2.23 0.00 0.00 178.31 175.64 1z5f n GLN 7 N -3.09 0.54 -0.10 1.11 7.27 0.51 -3.00 117.38 120.61 1z5f n GLN 7 Ca 0.03 0.11 -0.20 0.00 0.07 0.00 0.00 57.00 57.00 1z5f n GLN 7 Cb 0.63 -1.79 -0.10 0.00 2.41 0.00 0.00 30.24 31.39 1z5f n GLN 7 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1z5f n LYS 8 N -2.55 0.55 0.00 3.69 4.76 0.77 -3.81 118.16 121.58 1z5f n LYS 8 Ca 0.01 0.56 -0.18 0.00 -2.87 0.00 0.00 58.31 55.83 1z5f n LYS 8 Cb 0.53 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.84 1z5f n LYS 8 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1z5f n LYS 9 N -4.45 0.73 0.00 1.97 2.85 -0.18 -4.20 118.16 114.88 1z5f n LYS 9 Ca -0.30 0.28 0.13 0.00 -1.05 0.00 0.00 58.31 57.36 1z5f n LYS 9 Cb 0.64 -1.74 0.42 0.00 -0.65 0.00 0.00 35.03 33.70 1z5f n LYS 9 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1z5f n HIS 10 N -3.37 0.00 -4.28 5.58 8.25 -1.16 -4.75 115.22 115.49 1z5f n HIS 10 Ca -0.27 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 56.99 1z5f n HIS 10 Cb 1.05 -0.31 -0.11 0.00 1.12 0.00 0.00 29.99 31.74 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 -2.90 2.43 0.00 2.41 1.02 -1.21 0.39 118.68 120.82 1z5f s LEU 11 Ca 0.15 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.46 1z5f s LEU 11 Cb 0.18 -0.66 -0.00 0.00 0.02 0.00 0.00 46.19 45.74 1z5f s LEU 11 CO 0.61 -0.11 0.02 1.07 0.02 0.00 0.00 176.35 177.96 1z5f n THR 12 N 0.38 0.00 -1.01 5.49 5.66 -1.11 -4.56 114.28 119.12 1z5f n THR 12 Ca -0.14 -0.17 0.09 0.00 -3.05 0.00 0.00 64.05 60.78 1z5f n THR 12 Cb 0.57 0.09 0.13 0.00 -1.55 0.00 0.00 70.33 69.57 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 -2.85 2.31 -3.54 1.09 5.75 -1.26 -4.49 116.55 113.56 1z5f n ASP 13 Ca 0.01 -3.01 -0.17 0.00 -0.01 0.00 0.00 54.79 51.60 1z5f n ASP 13 Cb 0.04 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.67 1z5f n ASP 13 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1z5f s THR 14 N -2.74 0.01 -0.16 2.12 -1.32 -1.26 -5.01 115.64 107.28 1z5f s THR 14 Ca 0.30 -0.07 0.29 0.00 -1.21 0.00 0.00 61.69 61.01 1z5f s THR 14 Cb 0.26 -0.96 0.35 0.00 -1.51 0.00 0.00 72.50 70.64 1z5f s THR 14 CO 0.03 -0.04 1.85 0.07 -2.21 0.00 0.00 174.62 174.32 1z5f h LYS 15 N 3.00 0.00 -2.25 7.08 2.10 -1.96 -3.28 116.57 121.27 1z5f h LYS 15 Ca -0.28 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.76 1z5f h LYS 15 Cb 1.16 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.08 1z5f h LYS 15 CO 0.39 0.00 -0.54 1.63 -2.00 0.00 0.00 179.45 178.93 1z5f n LYS 16 N -2.88 2.95 -0.70 0.07 5.02 -1.26 -4.43 118.16 116.94 1z5f n LYS 16 Ca 0.02 -4.76 -0.33 0.00 -2.02 0.00 0.00 58.31 51.22 1z5f n LYS 16 Cb 0.34 -2.26 0.16 0.00 -0.02 0.00 0.00 35.03 33.25 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 0.36 0.00 -2.60 -0.18 0.24 -1.24 -4.84 118.33 110.09 1z5f n VAL 17 Ca 0.31 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1z5f n VAL 17 Cb 0.40 -0.60 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 -1.96 4.85 -0.54 7.34 2.85 -1.26 -4.81 118.16 124.62 1z5f n LYS 18 Ca 0.02 -4.31 0.41 0.00 -1.05 0.00 0.00 58.31 53.38 1z5f n LYS 18 Cb 0.61 -2.56 0.64 0.00 -0.65 0.00 0.00 35.03 33.07 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 0.82 0.00 0.00 3.58 -1.91 0.33 116.42 119.25 1z5f h ASP 20 Ca 0.74 0.08 -0.30 0.00 0.42 0.00 0.00 57.03 57.97 1z5f h ASP 20 Cb 2.90 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 43.83 1z5f h ASP 20 CO -0.05 0.34 -2.12 0.52 -2.88 0.00 0.00 179.24 175.05 1z5f n VAL 21 N -4.72 1.13 0.33 2.25 0.31 0.34 -2.25 118.33 115.73 1z5f n VAL 21 Ca 0.22 -0.63 0.03 0.00 -0.01 0.00 0.00 64.34 63.94 1z5f n VAL 21 Cb 0.51 -0.72 0.16 0.00 -0.91 0.00 0.00 33.84 32.88 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 -2.71 0.16 0.00 5.55 2.13 -0.17 -1.13 120.64 124.46 1z5f n GLU 22 Ca -0.29 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.58 1z5f n GLU 22 Cb 1.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.21 1z5f n GLU 22 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1z5f n MET 23 N -1.05 0.00 0.00 5.31 2.81 0.08 -4.71 117.12 119.55 1z5f n MET 23 Ca 0.04 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.00 1z5f n MET 23 Cb 0.02 -0.40 0.44 0.00 -0.71 0.00 0.00 33.22 32.57 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 -2.60 2.35 -1.00 3.04 0.00 -0.95 -0.29 120.51 121.06 1z5f n ALA 24 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1z5f n ALA 24 Cb 0.28 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.80 0.69 -0.01 0.00 5.02 -0.29 -4.58 118.16 118.19 1z5f n LYS 25 Ca 0.11 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.50 1z5f n LYS 25 Cb 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.92 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 -2.85 3.00 1.31 7.82 0.00 -1.26 -3.32 120.51 125.20 1z5f n ALA 26 Ca 0.00 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.09 1z5f n ALA 26 Cb 0.00 -0.67 0.37 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.06 1.62 -0.02 0.00 -0.00 -1.26 -4.35 117.00 110.92 1z5f n LEU 27 Ca -0.02 -0.52 -0.05 0.00 -0.00 0.00 0.00 56.01 55.42 1z5f n LEU 27 Cb 0.48 -0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1z5f n LEU 27 CO 0.41 0.28 -0.66 0.49 -0.00 0.00 0.00 177.39 177.91 1z5f n PHE 28 N 0.08 0.00 -2.72 1.47 3.72 -1.26 -5.05 117.46 113.70 1z5f n PHE 28 Ca 0.15 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1z5f n PHE 28 Cb 0.40 -0.17 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 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 -3.06 -2.91 -3.43 4.37 8.00 -1.16 -4.05 116.55 114.32 1z5f n ASP 29 Ca -0.09 -0.12 -0.18 0.00 0.71 0.00 0.00 54.79 55.12 1z5f n ASP 29 Cb 0.57 -1.46 0.03 0.00 -0.02 0.00 0.00 41.12 40.24 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 -3.01 3.02 0.00 0.00 4.76 -1.26 -4.98 118.16 116.69 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 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 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 1.07 -3.91 1.97 4.81 -1.26 -5.00 118.16 115.85 1z5f n LYS 32 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1z5f n LYS 32 Cb 0.00 -0.69 -0.10 0.00 0.02 0.00 0.00 35.03 34.26 1z5f n LYS 32 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1z5f s THR 33 N -1.38 0.10 -0.00 3.15 -1.32 -1.26 -1.70 115.64 113.22 1z5f s THR 33 Ca 0.00 -0.84 -0.29 0.00 -1.21 0.00 0.00 61.69 59.36 1z5f s THR 33 Cb 0.00 -0.51 0.08 0.00 -1.51 0.00 0.00 72.50 70.56 1z5f s THR 33 CO 0.00 -0.46 0.70 0.21 -2.21 0.00 0.00 174.62 172.86 1z5f s ASN 34 N -1.58 -0.59 0.04 8.08 2.47 -0.91 -4.95 114.94 117.49 1z5f s ASN 34 Ca -0.13 0.46 0.01 0.00 0.42 0.00 0.00 52.86 53.63 1z5f s ASN 34 Cb -0.07 0.53 -0.03 0.00 -1.45 0.00 0.00 41.25 40.23 1z5f s ASN 34 CO -0.00 -0.68 -0.06 -0.89 -3.72 0.00 0.00 177.10 171.75 1z5f s THR 35 N -1.96 0.40 0.22 -5.21 2.01 -1.26 -0.80 115.64 109.03 1z5f s THR 35 Ca -0.06 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.79 1z5f s THR 35 Cb -0.00 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1z5f s THR 35 CO 0.02 -0.52 0.22 0.49 -0.69 0.00 0.00 174.62 174.14 1z5f n PHE 36 N 1.23 -0.68 -4.42 4.92 3.01 -0.95 -4.72 117.46 115.86 1z5f n PHE 36 Ca -0.21 -1.72 -0.25 0.00 1.01 0.00 0.00 57.45 56.28 1z5f n PHE 36 Cb 0.56 0.24 -0.17 0.00 -0.01 0.00 0.00 39.48 40.10 1z5f n PHE 36 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1z5f s ILE 37 N -2.82 1.09 -0.72 4.37 1.01 0.16 -3.94 121.20 120.36 1z5f s ILE 37 Ca 0.24 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1z5f s ILE 37 Cb 0.01 -1.02 0.12 0.00 0.01 0.00 0.00 42.46 41.58 1z5f s ILE 37 CO 0.17 0.35 0.85 -0.47 0.00 0.00 0.00 174.94 175.84 1z5f s TYR 38 N 0.89 3.11 0.08 3.97 5.04 -1.01 -2.76 117.35 126.67 1z5f s TYR 38 Ca -0.10 -1.18 -0.17 0.00 -2.44 0.00 0.00 57.07 53.17 1z5f s TYR 38 Cb -0.15 -4.09 0.04 0.00 0.35 0.00 0.00 41.96 38.11 1z5f s TYR 38 CO 0.01 -1.34 0.41 0.00 -1.34 0.00 0.00 175.55 173.29 1z5f s ALA 39 N 2.46 -0.99 0.19 3.97 0.00 -1.26 -4.70 121.76 121.43 1z5f s ALA 39 Ca 0.19 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 1z5f s ALA 39 Cb -0.16 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.38 1z5f s ALA 39 CO 0.00 -0.54 0.65 -0.48 0.00 0.00 0.00 175.76 175.39 1z5f s LEU 40 N -2.35 4.34 0.20 0.00 0.05 -1.26 -4.89 118.68 114.76 1z5f s LEU 40 Ca -0.02 1.28 -0.19 0.00 0.05 0.00 0.00 54.13 55.25 1z5f s LEU 40 Cb 0.00 -3.46 0.16 0.00 -2.05 0.00 0.00 46.19 40.85 1z5f s LEU 40 CO -0.07 0.06 1.44 -2.65 -0.55 0.00 0.00 176.35 174.58 1z5f n PRO 41 N 0.75 -0.26 -0.08 1.48 -0.02 -1.26 -1.01 135.00 134.61 1z5f n PRO 41 Ca -0.03 1.42 -0.07 0.00 -2.02 0.00 0.00 63.50 62.80 1z5f n PRO 41 Cb 0.51 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.09 2.00 -1.23 0.00 -1.98 0.21 103.07 101.99 1z5f h GLY 42 Ca 0.29 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 1z5f h GLY 42 CO -0.91 -0.20 -0.12 3.21 0.00 0.00 0.00 176.54 178.52 1z5f h ARG 43 N -0.21 0.00 0.22 4.80 3.08 -1.46 0.27 114.38 121.08 1z5f h ARG 43 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1z5f h ARG 43 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1z5f h ARG 43 CO -0.43 0.12 -0.10 0.28 -1.07 0.00 0.00 179.97 178.77 1z5f h VAL 44 N 0.00 0.30 0.00 2.04 2.07 0.42 -0.90 116.25 120.19 1z5f h VAL 44 Ca -0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1z5f h VAL 44 Cb 0.22 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1z5f h VAL 44 CO 0.02 0.09 0.00 0.07 0.02 0.00 0.00 177.57 177.76 1z5f h LYS 45 N -1.03 0.00 0.00 1.57 2.10 -0.66 -1.52 116.57 117.03 1z5f h LYS 45 Ca -0.03 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 1z5f h LYS 45 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1z5f h LYS 45 CO 0.05 0.00 -0.69 0.00 -2.00 0.00 0.00 179.45 176.81 1z5f h ALA 46 N 2.00 0.71 0.00 0.07 0.00 -0.46 -3.25 119.26 118.32 1z5f h ALA 46 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1z5f h ALA 46 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1z5f h ALA 46 CO 0.00 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1z5f n LEU 47 N -2.95 0.00 -0.16 0.00 4.77 -0.34 -2.61 117.00 115.70 1z5f n LEU 47 Ca -0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1z5f n LEU 47 Cb 0.64 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.80 1z5f n LEU 47 CO 0.39 0.00 0.45 0.00 -1.33 0.00 0.00 177.39 176.90 1z5f s LYS 49 N -1.57 4.57 -0.02 0.00 -2.85 -1.07 -2.83 119.74 115.97 1z5f s LYS 49 Ca 0.16 1.89 0.00 0.00 -1.00 0.00 0.00 55.97 57.02 1z5f s LYS 49 Cb 0.14 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 1z5f s LYS 49 CO 0.01 0.12 0.00 0.09 0.10 0.00 0.00 175.35 175.67 1z5f n ASN 50 N 1.17 -3.52 -4.83 0.03 5.03 -1.26 -5.02 115.26 106.86 1z5f n ASN 50 Ca -0.01 0.01 -0.23 0.00 0.87 0.00 0.00 54.58 55.22 1z5f n ASN 50 Cb 0.44 -1.04 0.07 0.00 -1.02 0.00 0.00 39.78 38.24 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 -1.85 2.38 0.00 2.41 -1.09 -1.13 -5.10 121.20 116.82 1z5f s ILE 51 Ca 0.00 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1z5f s ILE 51 Cb 0.00 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 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 -2.68 3.63 0.00 2.79 5.12 -1.26 -4.54 116.66 119.72 1z5f n ARG 52 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1z5f n ARG 52 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 1z5f n ARG 52 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1z5f n ASP 53 N 0.00 0.00 -4.62 0.55 8.00 -1.26 -1.09 116.55 118.12 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 0.20 -0.39 0.00 0.00 177.20 177.01 1z5f s ASN 54 N -2.10 6.04 0.01 -2.24 0.01 -1.21 -3.87 114.94 111.58 1z5f s ASN 54 Ca 0.00 1.91 -0.05 0.00 -0.71 0.00 0.00 52.86 54.01 1z5f s ASN 54 Cb 0.00 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 1z5f s ASN 54 CO 0.00 -1.49 0.08 0.42 -1.51 0.00 0.00 177.10 174.60 1z5f s THR 55 N 6.24 0.09 -0.25 1.60 -4.23 -0.90 -4.92 115.64 113.26 1z5f s THR 55 Ca 0.86 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 60.37 1z5f s THR 55 Cb -0.31 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1z5f s THR 55 CO 0.34 -0.41 0.90 -1.81 -0.54 0.00 0.00 174.62 173.11 1z5f s ASP 56 N -1.36 6.89 0.39 3.99 1.01 -1.26 -2.47 116.67 123.87 1z5f s ASP 56 Ca -0.15 1.09 0.08 0.00 0.71 0.00 0.00 52.55 54.28 1z5f s ASP 56 Cb -0.08 -2.47 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 1z5f s ASP 56 CO 0.01 -0.60 0.07 0.68 0.21 0.00 0.00 175.17 175.54 1z5f s VAL 57 N 3.01 2.31 -0.01 -1.27 -7.23 -0.74 -4.95 120.40 111.52 1z5f s VAL 57 Ca 0.38 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1z5f s VAL 57 Cb -0.15 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 1z5f s VAL 57 CO 0.08 -0.06 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.44 1z5f s LEU 58 N -3.78 2.02 0.84 1.32 1.98 -1.26 -2.45 118.68 117.35 1z5f s LEU 58 Ca 0.37 -0.27 -0.14 0.00 -2.89 0.00 0.00 54.13 51.20 1z5f s LEU 58 Cb 0.04 -0.78 0.04 0.00 0.66 0.00 0.00 46.19 46.15 1z5f s LEU 58 CO 0.20 0.18 0.73 -0.24 -1.89 0.00 0.00 176.35 175.34 1z5f n SER 59 N 2.72 -0.72 -0.22 3.68 2.88 -0.76 -4.88 113.62 116.33 1z5f n SER 59 Ca -0.14 0.49 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 1z5f n SER 59 Cb 0.55 -1.32 0.05 0.00 -0.75 0.00 0.00 64.21 62.74 1z5f n SER 59 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1z5f h ARG 60 N -1.03 1.08 0.00 -1.46 3.08 -1.99 -3.45 114.38 110.60 1z5f h ARG 60 Ca -0.45 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.29 1z5f h ARG 60 Cb 1.31 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1z5f h ARG 60 CO 0.41 1.01 0.00 -3.47 -1.07 0.00 0.00 179.97 176.85 1z5f n ASP 61 N -4.20 0.00 -3.88 7.04 2.03 -1.26 -5.08 116.55 111.21 1z5f n ASP 61 Ca 0.04 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.26 1z5f n ASP 61 Cb 0.32 0.11 -0.04 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.74 -0.69 -0.17 -1.67 0.00 -1.26 -2.60 121.76 113.64 1z5f s ALA 62 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1z5f s ALA 62 Cb 0.00 0.94 0.05 0.00 0.00 0.00 0.00 23.12 24.10 1z5f s ALA 62 CO 0.00 -0.87 0.43 -0.06 0.00 0.00 0.00 175.76 175.27 1z5f s PHE 63 N -3.94 -0.53 -0.41 0.00 0.08 -0.79 -4.72 117.98 107.67 1z5f s PHE 63 Ca 0.15 1.22 -0.29 0.00 0.12 0.00 0.00 56.93 58.13 1z5f s PHE 63 Cb -0.02 0.20 0.02 0.00 -0.57 0.00 0.00 43.02 42.66 1z5f s PHE 63 CO 0.04 -0.27 1.16 -1.17 -0.10 0.00 0.00 175.22 174.88 1z5f s LEU 64 N 0.59 3.74 -0.07 -0.37 0.20 -1.26 -2.51 118.68 119.00 1z5f s LEU 64 Ca -0.03 0.74 0.05 0.00 0.69 0.00 0.00 54.13 55.58 1z5f s LEU 64 Cb -0.05 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.16 1z5f s LEU 64 CO -0.04 -1.14 -0.23 -1.48 -0.29 0.00 0.00 176.35 173.17 1z5f s LEU 65 N 4.28 2.03 0.57 -0.68 2.34 -1.01 -2.41 118.68 123.81 1z5f s LEU 65 Ca 0.49 -0.50 -0.16 0.00 0.06 0.00 0.00 54.13 54.02 1z5f s LEU 65 Cb -0.10 -1.30 -0.05 0.00 -0.56 0.00 0.00 46.19 44.18 1z5f s LEU 65 CO 0.26 0.19 1.04 -2.16 -1.06 0.00 0.00 176.35 174.62 1z5f s PRO 66 N 0.08 3.48 -0.09 1.48 0.04 -1.25 -3.25 135.00 135.48 1z5f s PRO 66 Ca -0.10 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.03 1z5f s PRO 66 Cb -0.15 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1z5f s PRO 66 CO 0.05 -0.67 0.23 -0.65 0.04 0.00 0.00 177.00 176.00 1z5f s GLN 67 N -4.07 0.22 -0.19 4.56 -0.21 0.51 -2.23 119.66 118.24 1z5f s GLN 67 Ca 0.62 0.43 -0.18 0.00 0.02 0.00 0.00 55.36 56.26 1z5f s GLN 67 Cb -0.14 -0.04 -0.03 0.00 1.00 0.00 0.00 33.01 33.80 1z5f s GLN 67 CO 0.35 -0.11 0.50 0.00 -2.12 0.00 0.00 175.29 173.91 1z5f s ASP 69 N 1.10 4.02 0.43 0.00 1.01 -1.04 -2.14 116.67 120.06 1z5f s ASP 69 Ca 0.24 -1.17 -0.22 0.00 0.71 0.00 0.00 52.55 52.10 1z5f s ASP 69 Cb -0.15 -1.48 -0.09 0.00 1.01 0.00 0.00 42.92 42.20 1z5f s ASP 69 CO 0.09 -0.15 1.01 -0.60 0.21 0.00 0.00 175.17 175.73 1z5f s ARG 70 N 1.19 4.11 0.00 8.23 6.06 -0.69 -0.37 118.95 137.47 1z5f s ARG 70 Ca -0.05 1.33 0.00 0.00 -2.50 0.00 0.00 55.73 54.51 1z5f s ARG 70 Cb -0.18 -2.32 0.00 0.00 0.06 0.00 0.00 34.95 32.51 1z5f s ARG 70 CO -0.07 -0.16 0.00 1.51 -2.50 0.00 0.00 175.30 174.08 1z5f n ILE 71 N -0.45 0.00 -4.16 4.11 0.13 -1.25 -4.94 119.36 112.80 1z5f n ILE 71 Ca 0.07 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.49 1z5f n ILE 71 Cb 0.52 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.26 1z5f n ILE 71 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1z5f s LYS 72 N -1.09 2.46 0.25 9.51 2.20 -1.26 -5.02 119.74 126.79 1z5f s LYS 72 Ca 0.00 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.21 1z5f s LYS 72 Cb 0.00 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 1z5f s LYS 72 CO 0.00 0.26 0.00 1.28 -0.36 0.00 0.00 175.35 176.53 1z5f n LEU 73 N -1.07 -0.48 0.04 5.43 4.32 -1.26 -3.71 117.00 120.26 1z5f n LEU 73 Ca -0.05 1.08 -0.10 0.00 -0.02 0.00 0.00 56.01 56.92 1z5f n LEU 73 Cb 0.60 -3.16 -0.13 0.00 -1.62 0.00 0.00 43.42 39.11 1z5f n LEU 73 CO 0.42 -2.05 -0.19 1.55 -1.22 0.00 0.00 177.39 175.90 1z5f h PRO 74 N -1.05 0.07 -1.24 3.23 0.13 -2.04 -3.39 132.00 127.71 1z5f h PRO 74 Ca -0.02 -0.11 -0.44 0.00 -0.87 0.00 0.00 66.00 64.56 1z5f h PRO 74 Cb 1.22 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 31.98 1z5f h PRO 74 CO 0.02 0.87 -1.05 0.00 -0.23 0.00 0.00 178.00 177.61 1z5f s HIS 76 N -3.22 2.00 0.10 0.00 5.04 -1.24 -4.97 115.29 113.00 1z5f s HIS 76 Ca 0.34 -0.41 0.01 0.00 -1.54 0.00 0.00 55.06 53.47 1z5f s HIS 76 Cb 0.43 -1.07 -0.04 0.00 0.04 0.00 0.00 32.58 31.94 1z5f s HIS 76 CO -0.04 0.28 -0.04 0.71 -2.34 0.00 0.00 174.74 173.31 1z5f s TYR 77 N -1.26 0.85 0.04 3.88 1.51 -1.26 -3.96 117.35 117.15 1z5f s TYR 77 Ca 0.11 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 1z5f s TYR 77 Cb -0.09 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1z5f s TYR 77 CO 0.05 -0.23 0.03 0.21 -1.11 0.00 0.00 175.55 174.51 1z5f s LYS 78 N -3.87 2.79 -0.33 -0.62 2.36 0.50 -4.82 119.74 115.75 1z5f s LYS 78 Ca 0.13 -0.67 -0.25 0.00 -2.55 0.00 0.00 55.97 52.63 1z5f s LYS 78 Cb 0.06 -2.68 0.01 0.00 -1.05 0.00 0.00 37.83 34.17 1z5f s LYS 78 CO -0.04 0.59 0.87 -1.17 1.55 0.00 0.00 175.35 177.15 1z5f s LEU 79 N -2.00 4.05 -0.07 5.43 1.98 -1.26 -2.49 118.68 124.32 1z5f s LEU 79 Ca 0.24 0.67 -0.01 0.00 -2.89 0.00 0.00 54.13 52.14 1z5f s LEU 79 Cb -0.12 -3.19 0.03 0.00 0.66 0.00 0.00 46.19 43.56 1z5f s LEU 79 CO 0.16 -0.73 -0.00 -0.55 -1.89 0.00 0.00 176.35 173.33 1z5f s SER 80 N 1.71 1.48 0.09 3.68 0.15 -0.99 -4.98 113.70 114.85 1z5f s SER 80 Ca 0.36 -0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.92 1z5f s SER 80 Cb -0.13 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1z5f s SER 80 CO 0.15 -0.18 -0.02 -0.44 1.20 0.00 0.00 173.24 173.95 1z5f s SER 81 N 1.84 0.69 0.08 5.45 0.01 -1.26 -0.36 113.70 120.15 1z5f s SER 81 Ca 0.03 -1.07 -0.27 0.00 1.31 0.00 0.00 55.95 55.96 1z5f s SER 81 Cb -0.12 0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.37 1z5f s SER 81 CO -0.05 -0.59 0.89 -0.55 0.41 0.00 0.00 173.24 173.36 1z5f s SER 82 N -3.00 -0.30 -0.28 2.44 0.15 -1.20 -4.96 113.70 106.55 1z5f s SER 82 Ca 0.14 -0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.50 1z5f s SER 82 Cb 0.07 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1z5f s SER 82 CO -0.05 -0.78 0.15 0.42 1.20 0.00 0.00 173.24 174.18 1z5f s THR 83 N -3.25 4.87 0.04 6.45 -4.23 -1.26 -2.39 115.64 115.87 1z5f s THR 83 Ca 0.08 -0.09 -0.27 0.00 -1.18 0.00 0.00 61.69 60.23 1z5f s THR 83 Cb -0.01 -3.36 0.07 0.00 1.34 0.00 0.00 72.50 70.54 1z5f s THR 83 CO -0.04 0.21 0.65 0.54 -0.54 0.00 0.00 174.62 175.44 1z5f s ASN 84 N 1.68 -0.61 0.92 3.99 4.22 -1.05 -4.63 114.94 119.47 1z5f s ASN 84 Ca 0.06 0.39 -0.11 0.00 -2.14 0.00 0.00 52.86 51.06 1z5f s ASN 84 Cb -0.16 0.56 0.14 0.00 1.28 0.00 0.00 41.25 43.08 1z5f s ASN 84 CO 0.08 -0.77 1.09 -0.89 -2.04 0.00 0.00 177.10 174.57 1z5f s THR 85 N -2.36 2.55 0.21 0.54 2.01 -1.07 -1.89 115.64 115.63 1z5f s THR 85 Ca -0.05 0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 1z5f s THR 85 Cb -0.00 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1z5f s THR 85 CO -0.01 -0.23 0.33 0.27 -0.69 0.00 0.00 174.62 174.29 1z5f s ILE 86 N -2.83 0.02 -0.10 1.82 -0.00 -0.17 0.13 121.20 120.06 1z5f s ILE 86 Ca 0.64 -1.56 0.03 0.00 -0.00 0.00 0.00 60.65 59.76 1z5f s ILE 86 Cb -0.19 -2.19 -0.01 0.00 -0.00 0.00 0.00 42.46 40.07 1z5f s ILE 86 CO 0.58 -0.08 -0.20 0.00 -0.00 0.00 0.00 174.94 175.24 1z5f s ILE 88 N 0.21 0.08 -0.15 0.00 2.07 -1.02 0.25 121.20 122.64 1z5f s ILE 88 Ca -0.13 -0.69 -0.16 0.00 -1.41 0.00 0.00 60.65 58.27 1z5f s ILE 88 Cb -0.16 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1z5f s ILE 88 CO 0.07 -0.38 0.37 -0.89 -1.91 0.00 0.00 174.94 172.20 1z5f s THR 89 N -1.78 5.25 0.08 4.00 2.01 0.59 -1.79 115.64 124.00 1z5f s THR 89 Ca -0.11 0.72 0.08 0.00 0.31 0.00 0.00 61.69 62.69 1z5f s THR 89 Cb -0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1z5f s THR 89 CO 0.01 0.35 -0.21 0.00 -0.69 0.00 0.00 174.62 174.07 1z5f n VAL 91 N 1.33 0.00 -0.15 0.00 0.31 0.12 -2.12 118.33 117.82 1z5f n VAL 91 Ca -0.19 0.00 0.28 0.00 -0.01 0.00 0.00 64.34 64.43 1z5f n VAL 91 Cb 0.53 -0.13 0.67 0.00 -0.91 0.00 0.00 33.84 34.00 1z5f n VAL 91 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1z5f h ASN 92 N 0.00 0.00 0.00 4.52 -0.26 -1.28 -3.33 115.58 115.23 1z5f h ASN 92 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1z5f h ASN 92 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1z5f h ASN 92 CO 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.37 1z5f n GLN 93 N -3.73 0.00 -3.69 0.81 10.64 -1.26 -3.79 117.38 116.37 1z5f n GLN 93 Ca 0.19 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.19 1z5f n GLN 93 Cb 1.11 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 30.34 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 0.00 0.17 0.07 2.61 1.02 -1.25 -4.81 118.68 116.49 1z5f s LEU 94 Ca 0.00 0.28 -0.30 0.00 0.02 0.00 0.00 54.13 54.13 1z5f s LEU 94 Cb 0.00 0.23 -0.05 0.00 0.02 0.00 0.00 46.19 46.39 1z5f s LEU 94 CO 0.00 -0.22 1.03 -2.16 0.02 0.00 0.00 176.35 175.02 1z5f s PRO 95 N 1.99 4.59 0.00 1.29 0.04 -1.26 -0.70 135.00 140.94 1z5f s PRO 95 Ca 0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1z5f s PRO 95 Cb -0.12 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1z5f s PRO 95 CO -0.05 0.01 0.00 0.44 0.04 0.00 0.00 177.00 177.44 1z5f n ILE 96 N 3.35 0.00 -4.96 0.56 -6.64 -1.02 -3.75 119.36 106.90 1z5f n ILE 96 Ca 0.05 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.74 1z5f n ILE 96 Cb 0.49 0.00 -0.17 0.00 -1.44 0.00 0.00 39.64 38.52 1z5f n ILE 96 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1z5f s HIS 97 N -0.20 2.17 -0.43 4.28 2.46 -1.13 -4.34 115.29 118.11 1z5f s HIS 97 Ca 0.00 -0.88 -0.18 0.00 0.47 0.00 0.00 55.06 54.47 1z5f s HIS 97 Cb 0.00 -1.49 0.02 0.00 -0.13 0.00 0.00 32.58 30.99 1z5f s HIS 97 CO 0.00 -0.38 0.50 0.12 -2.47 0.00 0.00 174.74 172.51 1z5f s PHE 98 N 0.49 3.14 0.00 3.88 5.36 -1.26 -0.30 117.98 129.28 1z5f s PHE 98 Ca -0.17 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 1z5f s PHE 98 Cb -0.17 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 1z5f s PHE 98 CO 0.06 -0.76 0.55 0.00 -1.46 0.00 0.00 175.22 173.62 1z5f n ALA 99 N 5.79 -0.13 -3.00 11.12 0.00 0.14 -4.96 120.51 129.47 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 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.17 2.99 3.82 0.00 0.00 -1.09 -4.99 105.19 105.74 1z5f n GLY 100 Ca 0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 1z5f n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1z5f s VAL 101 N -2.33 4.46 0.00 1.61 -7.23 -1.26 -3.28 120.40 112.37 1z5f s VAL 101 Ca 0.00 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1z5f s VAL 101 Cb 0.00 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1z5f s VAL 101 CO 0.00 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1z5f n GLY 102 N -0.96 2.05 3.63 2.32 0.00 0.35 -4.74 105.19 107.85 1z5f n GLY 102 Ca -0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1z5f n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1z5f s SER 103 N -4.00 -0.51 0.04 1.61 0.01 -1.26 -1.00 113.70 108.59 1z5f s SER 103 Ca 0.00 0.98 0.01 0.00 1.31 0.00 0.00 55.95 58.25 1z5f s SER 103 Cb 0.00 0.99 -0.04 0.00 0.21 0.00 0.00 66.02 67.18 1z5f s SER 103 CO 0.00 -0.18 0.08 0.00 0.41 0.00 0.00 173.24 173.56