#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 0.28 0.00 1.24 -0.00 -1.90 0.15 115.95 115.72 1z5f h TRP 3 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1z5f h TRP 3 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 29.07 1z5f h TRP 3 CO 0.00 0.14 0.00 0.39 -0.00 0.00 0.00 178.44 178.97 1z5f n GLU 4 N -4.47 0.00 -0.17 2.65 -0.58 -1.26 -0.91 120.64 115.90 1z5f n GLU 4 Ca 0.07 0.14 -0.02 0.00 -0.42 0.00 0.00 57.16 56.93 1z5f n GLU 4 Cb 0.33 -1.11 0.05 0.00 -0.57 0.00 0.00 31.44 30.14 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 0.50 -0.42 2.62 1.03 -1.97 1.39 112.91 116.06 1z5f h THR 5 Ca 0.00 -0.01 0.12 0.00 -0.01 0.00 0.00 66.41 66.51 1z5f h THR 5 Cb 0.00 0.47 -0.02 0.00 -1.07 0.00 0.00 68.15 67.53 1z5f h THR 5 CO 0.00 0.01 0.63 0.15 -0.01 0.00 0.00 175.52 176.29 1z5f h PHE 6 N 0.03 0.00 0.00 0.00 3.57 -0.73 2.21 116.94 122.02 1z5f h PHE 6 Ca 0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1z5f h PHE 6 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1z5f h PHE 6 CO -0.41 0.00 -0.99 0.94 -2.23 0.00 0.00 178.31 175.62 1z5f n GLN 7 N -3.33 0.56 -0.08 1.11 0.00 0.47 -3.12 117.38 112.98 1z5f n GLN 7 Ca 0.08 0.11 -0.21 0.00 -0.00 0.00 0.00 57.00 56.98 1z5f n GLN 7 Cb 0.79 -1.80 -0.12 0.00 0.00 0.00 0.00 30.24 29.11 1z5f n GLN 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1z5f h LYS 8 N 0.00 0.05 0.08 3.69 1.79 0.48 -3.30 116.57 119.36 1z5f h LYS 8 Ca 0.00 -0.09 -0.31 0.00 -2.18 0.00 0.00 60.65 58.06 1z5f h LYS 8 Cb 0.96 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 1z5f h LYS 8 CO 0.00 1.04 -1.71 0.36 -1.08 0.00 0.00 179.45 178.07 1z5f n LYS 9 N -4.30 0.68 0.00 3.15 2.85 -0.19 -4.23 118.16 116.12 1z5f n LYS 9 Ca -0.29 0.39 0.14 0.00 -1.05 0.00 0.00 58.31 57.50 1z5f n LYS 9 Cb 0.72 -1.72 0.60 0.00 -0.65 0.00 0.00 35.03 33.97 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 -3.87 0.00 -4.28 5.58 8.25 -1.18 -4.78 115.22 114.94 1z5f n HIS 10 Ca -0.32 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 56.91 1z5f n HIS 10 Cb 0.90 -0.47 -0.12 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.98 2.31 0.00 2.41 1.02 -1.23 0.49 118.68 120.70 1z5f s LEU 11 Ca 0.14 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.59 1z5f s LEU 11 Cb 0.19 -0.84 0.00 0.00 0.02 0.00 0.00 46.19 45.56 1z5f s LEU 11 CO 0.54 0.03 0.00 1.07 0.02 0.00 0.00 176.35 178.01 1z5f n THR 12 N 1.01 0.00 -0.03 5.49 5.66 -1.11 -4.53 114.28 120.77 1z5f n THR 12 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1z5f n THR 12 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 -2.28 1.99 -3.85 1.09 2.03 -1.26 -4.47 116.55 109.81 1z5f n ASP 13 Ca 0.00 -2.02 -0.11 0.00 0.52 0.00 0.00 54.79 53.18 1z5f n ASP 13 Cb 0.00 -0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.03 0.09 0.16 5.18 -1.32 -1.26 -5.02 115.64 112.44 1z5f s THR 14 Ca 0.01 -0.77 0.18 0.00 -1.21 0.00 0.00 61.69 59.89 1z5f s THR 14 Cb 0.01 -0.69 0.11 0.00 -1.51 0.00 0.00 72.50 70.42 1z5f s THR 14 CO 0.00 -0.43 1.70 0.11 -2.21 0.00 0.00 174.62 173.80 1z5f h LYS 15 N 3.83 0.00 -2.44 7.08 1.57 -1.96 -3.30 116.57 121.35 1z5f h LYS 15 Ca -0.31 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.79 1z5f h LYS 15 Cb 1.19 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.13 1z5f h LYS 15 CO 0.44 0.41 -0.06 0.36 -0.57 0.00 0.00 179.45 180.04 1z5f n LYS 16 N -3.54 3.40 -0.68 3.15 2.85 -1.26 -4.45 118.16 117.63 1z5f n LYS 16 Ca -0.00 -4.66 -0.32 0.00 -1.05 0.00 0.00 58.31 52.28 1z5f n LYS 16 Cb 0.54 -2.35 0.17 0.00 -0.65 0.00 0.00 35.03 32.73 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 0.85 0.00 -2.59 0.58 0.24 -1.24 -4.83 118.33 111.34 1z5f n VAL 17 Ca 0.30 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 1z5f n VAL 17 Cb 0.37 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.99 4.59 -0.17 7.34 2.85 -1.26 -4.84 118.16 124.67 1z5f n LYS 18 Ca 0.01 -4.18 0.13 0.00 -1.05 0.00 0.00 58.31 53.22 1z5f n LYS 18 Cb 0.62 -2.61 0.24 0.00 -0.65 0.00 0.00 35.03 32.64 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 0.42 0.00 0.00 3.58 -1.89 -0.94 116.42 117.59 1z5f h ASP 20 Ca 0.39 0.16 -0.33 0.00 0.42 0.00 0.00 57.03 57.67 1z5f h ASP 20 Cb 0.96 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 1z5f h ASP 20 CO -0.43 -0.02 -2.24 0.52 -2.88 0.00 0.00 179.24 174.19 1z5f n VAL 21 N -5.02 1.25 0.00 2.25 0.31 0.48 -2.13 118.33 115.47 1z5f n VAL 21 Ca 0.25 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1z5f n VAL 21 Cb 0.75 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.85 0.00 0.00 5.55 4.07 0.54 -1.10 120.64 126.84 1z5f n GLU 22 Ca -0.33 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1z5f n GLU 22 Cb 1.02 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.82 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 -1.24 0.00 0.00 5.31 2.81 -0.41 -4.69 117.12 118.90 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 0.08 -0.43 0.19 0.00 -0.71 0.00 0.00 33.22 32.35 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 1.92 -0.91 3.04 0.00 -0.90 -1.48 120.51 119.59 1z5f n ALA 24 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1z5f n ALA 24 Cb 0.29 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.49 0.00 0.00 5.02 -0.26 -4.43 118.16 117.24 1z5f n LYS 25 Ca 0.05 -0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.30 1z5f n LYS 25 Cb 0.02 -0.26 -0.09 0.00 -0.02 0.00 0.00 35.03 34.69 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 -2.16 4.22 0.96 7.82 0.00 -1.26 -3.08 120.51 127.01 1z5f n ALA 26 Ca -0.02 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 52.99 1z5f n ALA 26 Cb 0.06 -0.81 0.17 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.67 2.88 0.00 0.00 -0.00 -1.26 -4.39 117.00 112.56 1z5f n LEU 27 Ca 0.03 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.03 1z5f n LEU 27 Cb 0.38 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1z5f n LEU 27 CO 0.43 0.50 -0.47 0.49 -0.00 0.00 0.00 177.39 178.34 1z5f n PHE 28 N 1.23 0.00 -2.85 1.47 3.72 -1.26 -5.05 117.46 114.72 1z5f n PHE 28 Ca 0.15 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1z5f n PHE 28 Cb 0.57 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.14 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 -2.27 -3.37 -3.57 4.37 8.00 -1.18 -3.93 116.55 114.60 1z5f n ASP 29 Ca 0.00 -0.21 -0.20 0.00 0.71 0.00 0.00 54.79 55.09 1z5f n ASP 29 Cb 0.47 -2.22 0.01 0.00 -0.02 0.00 0.00 41.12 39.36 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 -2.78 1.54 0.00 0.00 4.76 -1.25 -4.95 118.16 115.48 1z5f n LYS 31 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1z5f n LYS 31 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1z5f n LYS 31 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1z5f n LYS 32 N 0.00 0.94 -3.90 1.97 2.85 -1.26 -4.98 118.16 113.78 1z5f n LYS 32 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1z5f n LYS 32 Cb 0.00 -0.63 -0.13 0.00 -0.65 0.00 0.00 35.03 33.62 1z5f n LYS 32 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1z5f s THR 33 N -1.26 0.04 0.02 0.58 -1.32 -1.26 -0.19 115.64 112.25 1z5f s THR 33 Ca 0.00 -0.34 -0.17 0.00 -1.21 0.00 0.00 61.69 59.97 1z5f s THR 33 Cb 0.00 -0.15 0.03 0.00 -1.51 0.00 0.00 72.50 70.87 1z5f s THR 33 CO 0.00 -0.19 0.37 0.20 -2.21 0.00 0.00 174.62 172.80 1z5f s ASN 34 N -0.55 -0.24 0.05 8.08 -0.87 -0.63 -4.99 114.94 115.79 1z5f s ASN 34 Ca -0.06 0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.26 1z5f s ASN 34 Cb -0.04 0.38 -0.03 0.00 -0.02 0.00 0.00 41.25 41.54 1z5f s ASN 34 CO -0.00 -0.59 -0.06 -0.89 -2.57 0.00 0.00 177.10 173.00 1z5f s THR 35 N -2.08 0.42 0.32 1.60 2.01 -1.26 -0.83 115.64 115.82 1z5f s THR 35 Ca -0.08 -1.36 -0.07 0.00 0.31 0.00 0.00 61.69 60.49 1z5f s THR 35 Cb -0.02 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1z5f s THR 35 CO 0.00 -0.63 0.50 -0.36 -0.69 0.00 0.00 174.62 173.45 1z5f s PHE 36 N -2.34 0.76 -0.07 4.92 0.40 -0.98 -4.70 117.98 115.97 1z5f s PHE 36 Ca -0.03 -1.08 0.04 0.00 -0.60 0.00 0.00 56.93 55.26 1z5f s PHE 36 Cb -0.03 0.09 -0.00 0.00 0.51 0.00 0.00 43.02 43.58 1z5f s PHE 36 CO -0.03 -1.13 -0.21 0.42 0.70 0.00 0.00 175.22 174.97 1z5f s ILE 37 N -3.28 1.76 -0.64 0.64 1.01 0.18 -3.49 121.20 117.39 1z5f s ILE 37 Ca 0.27 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 1z5f s ILE 37 Cb -0.01 -1.52 0.11 0.00 0.01 0.00 0.00 42.46 41.05 1z5f s ILE 37 CO 0.16 0.50 0.76 -0.47 0.00 0.00 0.00 174.94 175.88 1z5f s TYR 38 N 0.20 3.04 0.06 3.97 5.04 -0.99 -2.74 117.35 125.92 1z5f s TYR 38 Ca -0.11 -1.04 -0.24 0.00 -2.44 0.00 0.00 57.07 53.24 1z5f s TYR 38 Cb -0.15 -4.04 0.06 0.00 0.35 0.00 0.00 41.96 38.17 1z5f s TYR 38 CO 0.05 -1.32 0.56 0.00 -1.34 0.00 0.00 175.55 173.50 1z5f s ALA 39 N 2.61 -1.44 0.20 3.97 0.00 -1.26 -4.70 121.76 121.14 1z5f s ALA 39 Ca 0.14 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 1z5f s ALA 39 Cb -0.21 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.29 1z5f s ALA 39 CO 0.04 -0.55 0.58 -0.48 0.00 0.00 0.00 175.76 175.35 1z5f s LEU 40 N -2.06 4.24 0.18 0.00 0.05 -1.26 -4.87 118.68 114.96 1z5f s LEU 40 Ca -0.04 1.05 -0.17 0.00 0.05 0.00 0.00 54.13 55.01 1z5f s LEU 40 Cb -0.01 -3.53 0.15 0.00 -2.05 0.00 0.00 46.19 40.75 1z5f s LEU 40 CO -0.03 -0.00 1.31 -2.65 -0.55 0.00 0.00 176.35 174.43 1z5f n PRO 41 N 0.29 -0.23 -0.16 1.48 -0.02 -1.26 -0.27 135.00 134.83 1z5f n PRO 41 Ca -0.02 1.30 -0.02 0.00 -2.02 0.00 0.00 63.50 62.74 1z5f n PRO 41 Cb 0.52 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.48 1.85 -1.23 0.00 -1.98 0.23 103.07 102.42 1z5f h GLY 42 Ca 0.26 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1z5f h GLY 42 CO -0.83 -0.15 -0.16 -0.09 0.00 0.00 0.00 176.54 175.31 1z5f h ARG 43 N 0.09 0.19 0.20 4.80 2.43 -1.02 0.19 114.38 121.27 1z5f h ARG 43 Ca 0.25 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1z5f h ARG 43 Cb 0.38 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1z5f h ARG 43 CO -0.43 0.36 -0.10 0.28 -1.51 0.00 0.00 179.97 178.57 1z5f h VAL 44 N 0.18 0.31 0.00 0.20 2.07 0.32 -2.54 116.25 116.80 1z5f h VAL 44 Ca 0.04 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1z5f h VAL 44 Cb 0.39 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 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 -1.03 0.00 -0.21 1.57 2.10 -0.67 -1.90 116.57 116.44 1z5f h LYS 45 Ca -0.03 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.44 1z5f h LYS 45 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1z5f h LYS 45 CO 0.05 0.00 -0.57 0.00 -2.00 0.00 0.00 179.45 176.93 1z5f h ALA 46 N 2.00 0.35 0.00 0.07 0.00 -0.60 -2.81 119.26 118.26 1z5f h ALA 46 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1z5f h ALA 46 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1z5f h ALA 46 CO 0.00 0.57 -0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1z5f h LEU 47 N 0.47 0.00 -3.47 0.00 3.38 -0.89 -1.27 115.31 113.53 1z5f h LEU 47 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1z5f h LEU 47 Cb 1.19 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 1z5f h LEU 47 CO 0.12 0.00 0.09 0.00 0.09 0.00 0.00 178.44 178.74 1z5f s LYS 49 N -3.14 4.41 -0.13 0.00 2.20 -0.48 -3.87 119.74 118.74 1z5f s LYS 49 Ca 0.47 0.78 -0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1z5f s LYS 49 Cb 0.41 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1z5f s LYS 49 CO 0.05 0.07 0.02 -1.71 -0.36 0.00 0.00 175.35 173.43 1z5f n ASN 50 N 3.81 -1.64 -4.65 1.43 2.85 -1.26 -5.05 115.26 110.75 1z5f n ASN 50 Ca -0.02 -0.01 -0.25 0.00 -0.11 0.00 0.00 54.58 54.19 1z5f n ASN 50 Cb 0.51 -0.84 0.11 0.00 1.24 0.00 0.00 39.78 40.81 1z5f n ASN 50 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1z5f s ILE 51 N -2.34 2.19 0.00 -1.44 -1.09 -1.25 -5.07 121.20 112.19 1z5f s ILE 51 Ca 0.01 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1z5f s ILE 51 Cb -0.01 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1z5f s ILE 51 CO 0.02 0.00 0.00 -1.14 -1.23 0.00 0.00 174.94 172.59 1z5f n ARG 52 N -2.96 0.00 0.00 2.79 0.63 -1.26 -4.69 116.66 111.16 1z5f n ARG 52 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1z5f n ARG 52 Cb 0.60 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.47 1z5f n ARG 52 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1z5f n ASP 53 N -1.45 0.00 -4.57 6.15 -0.08 -1.25 -4.29 116.55 111.06 1z5f n ASP 53 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1z5f n ASP 53 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1z5f n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1z5f s ASN 54 N 1.21 5.15 0.16 1.67 2.20 -1.24 -3.80 114.94 120.29 1z5f s ASN 54 Ca 0.00 1.08 -0.10 0.00 -0.94 0.00 0.00 52.86 52.90 1z5f s ASN 54 Cb 0.00 -2.52 -0.00 0.00 -2.00 0.00 0.00 41.25 36.73 1z5f s ASN 54 CO 0.00 -2.33 0.31 -0.89 -2.94 0.00 0.00 177.10 171.25 1z5f s THR 55 N 9.54 0.07 -0.27 0.54 2.01 -1.01 -4.98 115.64 121.53 1z5f s THR 55 Ca 0.86 -1.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1z5f s THR 55 Cb -0.20 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1z5f s THR 55 CO 0.28 -0.32 0.23 -1.81 -0.69 0.00 0.00 174.62 172.31 1z5f s ASP 56 N -2.94 6.09 0.40 3.53 1.11 -1.26 -1.87 116.67 121.73 1z5f s ASP 56 Ca 0.14 0.08 0.08 0.00 0.18 0.00 0.00 52.55 53.03 1z5f s ASP 56 Cb 0.03 -2.14 -0.00 0.00 1.07 0.00 0.00 42.92 41.87 1z5f s ASP 56 CO -0.02 -0.06 0.49 0.68 1.18 0.00 0.00 175.17 177.43 1z5f s VAL 57 N 1.73 3.17 -0.02 -1.27 -7.23 -0.10 -4.91 120.40 111.76 1z5f s VAL 57 Ca 0.09 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1z5f s VAL 57 Cb -0.16 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.72 1z5f s VAL 57 CO 0.10 -0.04 0.02 -0.22 -0.31 0.00 0.00 175.10 174.64 1z5f s LEU 58 N -4.24 1.12 0.63 1.32 1.98 -1.26 -2.48 118.68 115.74 1z5f s LEU 58 Ca 0.50 0.01 -0.18 0.00 -2.89 0.00 0.00 54.13 51.57 1z5f s LEU 58 Cb -0.08 -0.15 -0.04 0.00 0.66 0.00 0.00 46.19 46.58 1z5f s LEU 58 CO 0.31 -0.11 0.92 -0.24 -1.89 0.00 0.00 176.35 175.34 1z5f n SER 59 N 4.16 0.54 -0.37 3.68 2.88 -0.93 -4.85 113.62 118.74 1z5f n SER 59 Ca -0.27 0.77 0.07 0.00 -1.33 0.00 0.00 58.87 58.10 1z5f n SER 59 Cb 0.50 -1.38 0.29 0.00 -0.75 0.00 0.00 64.21 62.88 1z5f n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1z5f n ARG 60 N -1.13 1.47 0.00 -1.46 1.74 -1.26 -4.75 116.66 111.28 1z5f n ARG 60 Ca 0.14 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.50 1z5f n ARG 60 Cb 0.48 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1z5f n ARG 60 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1z5f n ASP 61 N 0.00 0.00 -3.71 0.55 5.75 -1.26 -5.11 116.55 112.76 1z5f n ASP 61 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.81 1z5f n ASP 61 Cb 0.21 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1z5f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1z5f s ALA 62 N -1.00 -0.63 -0.17 2.12 0.00 -1.26 -2.45 121.76 118.36 1z5f s ALA 62 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 1z5f s ALA 62 Cb 0.00 0.93 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1z5f s ALA 62 CO 0.00 -0.95 0.44 -0.06 0.00 0.00 0.00 175.76 175.20 1z5f s PHE 63 N -3.63 -0.52 -0.41 0.00 0.40 -0.73 -4.73 117.98 108.36 1z5f s PHE 63 Ca 0.17 1.23 -0.27 0.00 -0.60 0.00 0.00 56.93 57.46 1z5f s PHE 63 Cb -0.03 0.19 0.02 0.00 0.51 0.00 0.00 43.02 43.71 1z5f s PHE 63 CO 0.10 -0.26 1.01 -1.17 0.70 0.00 0.00 175.22 175.60 1z5f s LEU 64 N 0.45 3.88 -0.06 -0.37 0.20 -1.26 -2.56 118.68 118.97 1z5f s LEU 64 Ca -0.02 0.51 0.05 0.00 0.69 0.00 0.00 54.13 55.36 1z5f s LEU 64 Cb -0.04 -3.37 -0.01 0.00 -0.43 0.00 0.00 46.19 42.34 1z5f s LEU 64 CO -0.02 -1.02 -0.23 -1.48 -0.29 0.00 0.00 176.35 173.31 1z5f s LEU 65 N 3.85 2.04 0.58 -0.68 2.34 -1.01 -2.36 118.68 123.44 1z5f s LEU 65 Ca 0.42 -0.49 -0.16 0.00 0.06 0.00 0.00 54.13 53.96 1z5f s LEU 65 Cb -0.10 -1.31 -0.04 0.00 -0.56 0.00 0.00 46.19 44.18 1z5f s LEU 65 CO 0.24 0.21 1.05 -2.16 -1.06 0.00 0.00 176.35 174.63 1z5f s PRO 66 N -0.03 3.40 -0.10 1.48 0.04 -1.23 -3.13 135.00 135.43 1z5f s PRO 66 Ca -0.06 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.11 1z5f s PRO 66 Cb -0.14 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1z5f s PRO 66 CO 0.04 -0.75 0.23 -1.14 0.04 0.00 0.00 177.00 175.43 1z5f s GLN 67 N -4.05 0.20 -0.19 4.56 0.74 0.59 -2.31 119.66 119.21 1z5f s GLN 67 Ca 0.63 0.49 -0.09 0.00 0.05 0.00 0.00 55.36 56.44 1z5f s GLN 67 Cb -0.15 -0.09 -0.05 0.00 1.10 0.00 0.00 33.01 33.82 1z5f s GLN 67 CO 0.36 -0.15 0.10 0.00 -0.55 0.00 0.00 175.29 175.05 1z5f s ASP 69 N 0.39 2.48 0.47 0.00 2.15 -1.05 -1.61 116.67 119.50 1z5f s ASP 69 Ca 0.06 -0.44 -0.05 0.00 0.43 0.00 0.00 52.55 52.55 1z5f s ASP 69 Cb -0.12 -1.11 -0.04 0.00 -0.30 0.00 0.00 42.92 41.36 1z5f s ASP 69 CO -0.01 0.02 0.76 -0.60 -0.17 0.00 0.00 175.17 175.17 1z5f s ARG 70 N 0.98 3.52 0.00 4.34 3.52 0.74 -0.84 118.95 131.21 1z5f s ARG 70 Ca -0.06 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 1z5f s ARG 70 Cb -0.15 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1z5f s ARG 70 CO -0.02 -0.18 0.00 1.51 -0.81 0.00 0.00 175.30 175.80 1z5f n ILE 71 N -2.22 0.00 -4.16 4.11 3.06 -1.26 -4.97 119.36 113.92 1z5f n ILE 71 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 1z5f n ILE 71 Cb 0.55 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.65 1z5f n ILE 71 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1z5f s LYS 72 N -0.53 1.46 0.41 9.51 2.20 -1.26 -5.11 119.74 126.42 1z5f s LYS 72 Ca 0.00 -1.64 0.00 0.00 -0.36 0.00 0.00 55.97 53.97 1z5f s LYS 72 Cb 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1z5f s LYS 72 CO 0.00 -0.54 0.00 1.28 -0.36 0.00 0.00 175.35 175.73 1z5f n LEU 73 N -0.39 -0.79 0.00 5.43 4.77 -1.26 -4.26 117.00 120.50 1z5f n LEU 73 Ca 0.02 1.77 0.11 0.00 -0.03 0.00 0.00 56.01 57.89 1z5f n LEU 73 Cb 0.64 -4.46 0.16 0.00 -2.33 0.00 0.00 43.42 37.43 1z5f n LEU 73 CO 0.30 -3.36 0.33 -0.81 -1.33 0.00 0.00 177.39 172.52 1z5f n PRO 74 N -4.24 0.00 -2.73 3.23 -0.04 -1.26 -4.67 135.00 125.29 1z5f n PRO 74 Ca -0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1z5f n PRO 74 Cb 0.66 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.72 -0.53 0.21 0.00 5.04 -1.26 -5.03 115.29 114.44 1z5f s HIS 76 Ca 0.30 1.23 0.00 0.00 -1.54 0.00 0.00 55.06 55.05 1z5f s HIS 76 Cb 0.13 0.21 -0.05 0.00 0.04 0.00 0.00 32.58 32.91 1z5f s HIS 76 CO -0.14 -0.32 0.09 0.71 -2.34 0.00 0.00 174.74 172.74 1z5f s TYR 77 N -0.06 1.27 0.09 3.88 1.51 -1.26 -4.17 117.35 118.60 1z5f s TYR 77 Ca -0.03 -1.23 0.04 0.00 -1.01 0.00 0.00 57.07 54.84 1z5f s TYR 77 Cb -0.03 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1z5f s TYR 77 CO 0.02 -0.44 0.05 0.15 -1.11 0.00 0.00 175.55 174.21 1z5f s LYS 78 N -4.06 2.73 -0.18 -0.62 -0.14 -0.02 -4.81 119.74 112.64 1z5f s LYS 78 Ca 0.34 -0.76 -0.20 0.00 -1.36 0.00 0.00 55.97 53.99 1z5f s LYS 78 Cb 0.07 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 1z5f s LYS 78 CO 0.10 0.55 0.58 -1.17 -0.76 0.00 0.00 175.35 174.66 1z5f s LEU 79 N -2.39 4.17 -0.11 3.17 0.20 -1.26 -2.52 118.68 119.94 1z5f s LEU 79 Ca 0.28 0.81 -0.04 0.00 0.69 0.00 0.00 54.13 55.86 1z5f s LEU 79 Cb -0.12 -2.83 0.06 0.00 -0.43 0.00 0.00 46.19 42.87 1z5f s LEU 79 CO 0.20 -0.21 0.21 -0.55 -0.29 0.00 0.00 176.35 175.72 1z5f s SER 80 N 1.10 0.59 0.15 3.68 0.15 -0.63 -4.97 113.70 113.77 1z5f s SER 80 Ca 0.28 0.44 0.06 0.00 0.70 0.00 0.00 55.95 57.42 1z5f s SER 80 Cb -0.16 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1z5f s SER 80 CO 0.11 -0.24 -0.13 -0.55 1.20 0.00 0.00 173.24 173.62 1z5f s SER 81 N 2.35 2.11 0.17 5.45 0.15 -1.26 -0.30 113.70 122.37 1z5f s SER 81 Ca 0.02 -0.93 -0.23 0.00 0.70 0.00 0.00 55.95 55.51 1z5f s SER 81 Cb -0.12 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.18 1z5f s SER 81 CO -0.07 -0.21 0.68 -0.55 1.20 0.00 0.00 173.24 174.29 1z5f s SER 82 N -2.93 -0.46 -0.26 5.45 0.15 -1.18 -4.96 113.70 109.52 1z5f s SER 82 Ca 0.15 -0.16 -0.08 0.00 0.70 0.00 0.00 55.95 56.56 1z5f s SER 82 Cb -0.01 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1z5f s SER 82 CO 0.03 -1.01 0.10 0.42 1.20 0.00 0.00 173.24 173.98 1z5f s THR 83 N -3.69 4.51 0.08 6.45 -4.23 -1.26 -2.40 115.64 115.11 1z5f s THR 83 Ca 0.04 -0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.16 1z5f s THR 83 Cb -0.02 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.75 1z5f s THR 83 CO -0.07 0.30 0.63 0.54 -0.54 0.00 0.00 174.62 175.48 1z5f s ASN 84 N 1.64 -0.60 1.01 3.99 4.22 -1.06 -4.66 114.94 119.48 1z5f s ASN 84 Ca 0.06 0.26 -0.12 0.00 -2.14 0.00 0.00 52.86 50.93 1z5f s ASN 84 Cb -0.15 0.58 0.20 0.00 1.28 0.00 0.00 41.25 43.15 1z5f s ASN 84 CO 0.05 -0.84 1.08 -0.89 -2.04 0.00 0.00 177.10 174.46 1z5f s THR 85 N -2.81 2.25 0.08 0.54 2.01 -1.03 -1.77 115.64 114.90 1z5f s THR 85 Ca -0.03 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 1z5f s THR 85 Cb -0.01 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.19 1z5f s THR 85 CO -0.05 -0.11 0.23 0.27 -0.69 0.00 0.00 174.62 174.28 1z5f s ILE 86 N -2.70 0.12 -0.12 1.82 -0.00 -1.25 -0.35 121.20 118.72 1z5f s ILE 86 Ca 0.66 -0.98 0.01 0.00 -0.00 0.00 0.00 60.65 60.34 1z5f s ILE 86 Cb -0.22 -1.17 -0.01 0.00 -0.00 0.00 0.00 42.46 41.06 1z5f s ILE 86 CO 0.60 -0.54 -0.15 0.00 -0.00 0.00 0.00 174.94 174.85 1z5f s ILE 88 N 0.33 0.13 -0.22 0.00 2.07 -1.04 -1.20 121.20 121.28 1z5f s ILE 88 Ca -0.12 -1.10 -0.13 0.00 -1.41 0.00 0.00 60.65 57.88 1z5f s ILE 88 Cb -0.16 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1z5f s ILE 88 CO 0.06 -0.61 0.28 -0.89 -1.91 0.00 0.00 174.94 171.87 1z5f s THR 89 N -2.50 5.28 0.46 4.00 2.01 0.58 -0.93 115.64 124.54 1z5f s THR 89 Ca -0.06 0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.43 1z5f s THR 89 Cb -0.02 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1z5f s THR 89 CO -0.04 0.30 0.12 0.00 -0.69 0.00 0.00 174.62 174.31 1z5f n VAL 91 N -1.26 0.00 -0.27 0.00 0.31 -1.06 -2.40 118.33 113.65 1z5f n VAL 91 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 1z5f n VAL 91 Cb 0.66 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.58 1z5f n VAL 91 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1z5f n ASN 92 N 0.00 2.56 -0.68 4.52 5.03 -1.26 -3.83 115.26 121.61 1z5f n ASN 92 Ca 0.00 -1.71 0.00 0.00 0.87 0.00 0.00 54.58 53.74 1z5f n ASN 92 Cb 0.00 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 38.20 1z5f n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1z5f n GLN 93 N 1.88 0.00 -3.62 3.52 6.02 -1.26 -4.95 117.38 118.97 1z5f n GLN 93 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 1z5f n GLN 93 Cb 0.26 -2.32 -0.09 0.00 1.02 0.00 0.00 30.24 29.12 1z5f n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1z5f s LEU 94 N -1.35 -0.71 0.11 1.08 1.43 -1.26 -4.80 118.68 113.18 1z5f s LEU 94 Ca 0.00 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 53.78 1z5f s LEU 94 Cb 0.00 1.45 -0.06 0.00 0.03 0.00 0.00 46.19 47.60 1z5f s LEU 94 CO 0.00 -0.24 1.14 -2.16 0.23 0.00 0.00 176.35 175.32 1z5f s PRO 95 N 2.64 4.51 0.00 1.29 0.04 -1.26 -2.57 135.00 139.66 1z5f s PRO 95 Ca -0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1z5f s PRO 95 Cb -0.12 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1z5f s PRO 95 CO -0.14 -0.09 0.00 0.44 0.04 0.00 0.00 177.00 177.25 1z5f n ILE 96 N 3.20 0.00 -4.12 0.56 -6.64 -1.09 -3.88 119.36 107.39 1z5f n ILE 96 Ca 0.06 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.75 1z5f n ILE 96 Cb 0.47 0.08 -0.17 0.00 -1.44 0.00 0.00 39.64 38.58 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 2.02 -0.31 4.28 3.76 -1.11 -4.37 115.29 119.56 1z5f s HIS 97 Ca 0.00 -1.07 -0.21 0.00 -0.15 0.00 0.00 55.06 53.63 1z5f s HIS 97 Cb 0.00 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.19 1z5f s HIS 97 CO 0.00 -0.59 0.69 0.12 -0.85 0.00 0.00 174.74 174.10 1z5f s PHE 98 N 1.38 3.20 0.00 1.40 5.36 -1.26 -0.31 117.98 127.75 1z5f s PHE 98 Ca 0.02 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 1z5f s PHE 98 Cb -0.13 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1z5f s PHE 98 CO -0.08 -0.52 0.52 0.00 -1.46 0.00 0.00 175.22 173.68 1z5f n ALA 99 N 6.02 -0.23 -3.00 11.12 0.00 -0.34 -4.95 120.51 129.12 1z5f n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1z5f n ALA 99 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.38 1.79 3.88 0.00 0.00 -1.22 -5.04 105.19 104.99 1z5f n GLY 100 Ca 0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.27 5.28 0.03 1.61 1.01 -1.26 -3.98 120.40 120.81 1z5f s VAL 101 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1z5f s VAL 101 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1z5f s VAL 101 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1z5f n GLY 102 N 1.23 -2.24 3.78 4.51 0.00 0.53 -4.87 105.19 108.13 1z5f n GLY 102 Ca -0.12 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.41 5.34 0.34 1.61 0.01 -1.26 -2.85 113.70 114.49 1z5f s SER 103 Ca 0.00 2.00 -0.10 0.00 1.31 0.00 0.00 55.95 59.16 1z5f s SER 103 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1z5f s SER 103 CO 0.00 -1.47 0.68 0.00 0.41 0.00 0.00 173.24 172.86