#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z09 h ALA 2 N 0.00 0.78 -0.39 -5.12 0.00 -2.03 -2.28 119.26 110.23 1z09 h ALA 2 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1z09 h ALA 2 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1z09 h ALA 2 CO 0.00 0.52 0.13 0.93 0.00 0.00 0.00 179.25 180.83 1z09 h GLU 3 N 0.87 0.55 -0.67 0.00 5.08 -2.06 -2.11 114.58 116.25 1z09 h GLU 3 Ca 0.18 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1z09 h GLU 3 Cb 0.40 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1z09 h GLU 3 CO 0.01 0.48 0.38 0.28 -1.00 0.00 0.00 179.01 179.16 1z09 h VAL 4 N 0.55 1.20 -0.38 3.13 2.07 -1.87 -1.72 116.25 119.23 1z09 h VAL 4 Ca 0.13 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1z09 h VAL 4 Cb 0.15 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1z09 h VAL 4 CO -0.01 0.22 0.03 -0.33 0.02 0.00 0.00 177.57 177.50 1z09 h GLU 5 N 0.91 0.59 -0.70 1.57 5.08 -1.09 -1.72 114.58 119.21 1z09 h GLU 5 Ca 0.24 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1z09 h GLU 5 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1z09 h GLU 5 CO -0.04 0.59 0.24 0.93 -1.00 0.00 0.00 179.01 179.72 1z09 h GLU 6 N 0.56 1.06 -0.78 2.33 5.08 -0.96 -2.33 114.58 119.56 1z09 h GLU 6 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1z09 h GLU 6 Cb 0.31 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1z09 h GLU 6 CO 0.01 0.89 0.50 1.15 -1.00 0.00 0.00 179.01 180.56 1z09 h THR 7 N 1.03 1.21 -1.01 1.13 2.02 -0.48 -1.91 112.91 114.90 1z09 h THR 7 Ca 0.23 -0.41 0.14 0.00 0.77 0.00 0.00 66.41 67.14 1z09 h THR 7 Cb 0.26 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 66.66 1z09 h THR 7 CO -0.01 0.21 0.63 0.25 0.37 0.00 0.00 175.52 176.96 1z09 h LEU 8 N 1.06 0.88 -1.36 2.58 5.85 -1.01 0.83 115.31 124.15 1z09 h LEU 8 Ca 0.28 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.16 1z09 h LEU 8 Cb -0.09 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1z09 h LEU 8 CO -0.06 0.42 0.52 0.50 -0.34 0.00 0.00 178.44 179.48 1z09 h LYS 9 N 0.92 0.70 0.00 1.25 3.64 -1.22 0.90 116.57 122.76 1z09 h LYS 9 Ca 0.53 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1z09 h LYS 9 Cb 0.63 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1z09 h LYS 9 CO -0.30 0.46 -0.00 0.00 -2.27 0.00 0.00 179.45 177.34 1z09 h ARG 10 N 0.72 0.00 -0.00 1.90 3.08 -0.84 -0.35 114.38 118.89 1z09 h ARG 10 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1z09 h ARG 10 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1z09 h ARG 10 CO -0.14 0.00 -0.05 1.28 -1.07 0.00 0.00 179.97 180.00 1z09 n LEU 11 N -3.09 0.16 0.29 3.04 4.77 0.31 -3.53 117.00 118.95 1z09 n LEU 11 Ca -0.01 0.20 0.15 0.00 -0.03 0.00 0.00 56.01 56.32 1z09 n LEU 11 Cb 0.19 -0.26 0.90 0.00 -2.33 0.00 0.00 43.42 41.92 1z09 n LEU 11 CO 0.24 0.03 1.10 0.06 -1.33 0.00 0.00 177.39 177.48 1z09 h GLN 12 N 0.17 0.00 -5.93 3.23 3.07 -0.94 -3.48 115.11 111.22 1z09 h GLN 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1z09 h GLN 12 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.85 1z09 h GLN 12 CO 0.00 0.03 -0.48 0.43 0.09 0.00 0.00 178.83 178.90 1z09 n SER 13 N -3.73 -6.15 0.17 0.06 7.64 -1.23 -4.78 113.62 105.60 1z09 n SER 13 Ca -0.03 0.98 0.13 0.00 1.01 0.00 0.00 58.87 60.96 1z09 n SER 13 Cb 0.12 -2.39 0.43 0.00 -1.01 0.00 0.00 64.21 61.35 1z09 n SER 13 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1z09 h GLN 14 N 4.63 0.00 0.00 1.43 5.75 -1.91 -3.32 115.11 121.69 1z09 h GLN 14 Ca -0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1z09 h GLN 14 Cb 0.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1z09 h GLN 14 CO 0.01 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.36 1z09 n LYS 15 N -2.58 0.00 -1.69 1.69 4.81 -1.26 -4.36 118.16 114.77 1z09 n LYS 15 Ca 0.03 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.23 1z09 n LYS 15 Cb 0.38 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.49 1z09 n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1z09 n GLY 16 N 0.00 6.10 3.70 3.14 0.00 -1.24 -5.02 105.19 111.86 1z09 n GLY 16 Ca 0.00 -2.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 1z09 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z09 s VAL 17 N -4.51 2.91 -0.05 1.61 1.01 -1.25 -2.71 120.40 117.41 1z09 s VAL 17 Ca 0.54 0.48 0.12 0.00 0.00 0.00 0.00 61.98 63.12 1z09 s VAL 17 Cb 0.44 -3.31 -0.23 0.00 0.00 0.00 0.00 36.38 33.28 1z09 s VAL 17 CO 0.02 0.01 0.64 0.00 0.00 0.00 0.00 175.10 175.77 1z09 n GLN 18 N 5.06 0.64 -3.59 2.72 6.02 -0.92 -4.97 117.38 122.34 1z09 n GLN 18 Ca 0.15 0.29 -0.08 0.00 -0.01 0.00 0.00 57.00 57.35 1z09 n GLN 18 Cb 0.40 -1.79 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 1z09 n GLN 18 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1z09 s GLY 19 N -5.13 -0.21 -0.08 1.08 0.00 -1.20 -4.81 107.32 96.97 1z09 s GLY 19 Ca -0.05 2.10 0.01 0.00 0.00 0.00 0.00 44.72 46.78 1z09 s GLY 19 CO 0.82 0.97 -0.09 -0.42 0.00 0.00 0.00 173.10 174.38 1z09 s ILE 20 N -1.30 1.00 -0.21 0.90 1.01 -1.26 -1.53 121.20 119.81 1z09 s ILE 20 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1z09 s ILE 20 Cb -0.01 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.54 1z09 s ILE 20 CO -0.01 0.34 -0.11 -0.63 0.00 0.00 0.00 174.94 174.53 1z09 s ILE 21 N 1.09 1.79 -0.18 2.92 1.01 -1.07 -2.03 121.20 124.72 1z09 s ILE 21 Ca -0.07 -1.17 -0.20 0.00 0.00 0.00 0.00 60.65 59.21 1z09 s ILE 21 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1z09 s ILE 21 CO -0.01 0.13 0.60 -0.69 0.00 0.00 0.00 174.94 174.97 1z09 s VAL 22 N 1.32 5.05 -0.08 2.92 1.01 -0.67 -2.42 120.40 127.54 1z09 s VAL 22 Ca -0.03 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.13 1z09 s VAL 22 Cb -0.17 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1z09 s VAL 22 CO -0.08 0.15 -0.22 -0.69 0.00 0.00 0.00 175.10 174.26 1z09 s VAL 23 N 1.68 2.31 0.81 2.92 1.01 0.36 0.11 120.40 129.61 1z09 s VAL 23 Ca 0.28 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1z09 s VAL 23 Cb -0.16 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1z09 s VAL 23 CO 0.11 0.56 1.14 0.21 0.00 0.00 0.00 175.10 177.12 1z09 s ASN 24 N -0.06 4.21 0.24 3.32 2.47 -0.42 0.17 114.94 124.87 1z09 s ASN 24 Ca -0.06 0.40 0.15 0.00 0.42 0.00 0.00 52.86 53.77 1z09 s ASN 24 Cb -0.14 -0.81 0.80 0.00 -1.45 0.00 0.00 41.25 39.64 1z09 s ASN 24 CO 0.05 -2.02 1.43 0.41 -3.72 0.00 0.00 177.10 173.24 1z09 n THR 25 N -3.25 1.20 0.18 -5.21 -1.04 -1.26 -1.21 114.28 103.70 1z09 n THR 25 Ca 0.11 0.68 0.05 0.00 -2.04 0.00 0.00 64.05 62.84 1z09 n THR 25 Cb 0.60 -1.68 0.32 0.00 -1.82 0.00 0.00 70.33 67.75 1z09 n THR 25 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1z09 h GLU 26 N 0.00 0.00 -0.10 -2.82 5.08 -1.94 -3.46 114.58 111.33 1z09 h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z09 h GLU 26 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1z09 h GLU 26 CO 0.00 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 1z09 n GLY 27 N 0.23 1.30 3.27 -3.84 0.00 -0.35 -5.09 105.19 100.72 1z09 n GLY 27 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1z09 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1z09 s ILE 28 N -2.10 0.01 -0.31 -0.61 -1.09 -1.26 -4.98 121.20 110.87 1z09 s ILE 28 Ca 0.00 -0.07 -0.28 0.00 -2.23 0.00 0.00 60.65 58.07 1z09 s ILE 28 Cb 0.00 -0.56 -0.03 0.00 -1.58 0.00 0.00 42.46 40.29 1z09 s ILE 28 CO 0.00 -0.04 2.02 -2.16 -1.23 0.00 0.00 174.94 173.53 1z09 s PRO 29 N -0.04 3.14 0.00 2.79 0.04 -1.26 -1.30 135.00 138.38 1z09 s PRO 29 Ca -0.02 1.64 0.21 0.00 0.04 0.00 0.00 61.00 62.87 1z09 s PRO 29 Cb -0.03 -4.30 0.93 0.00 0.04 0.00 0.00 34.50 31.14 1z09 s PRO 29 CO 0.01 -2.09 1.66 -0.89 0.04 0.00 0.00 177.00 175.74 1z09 n ILE 30 N 7.59 0.52 -3.67 0.56 5.41 0.30 -4.87 119.36 125.21 1z09 n ILE 30 Ca 0.27 0.13 -0.01 0.00 1.00 0.00 0.00 62.75 64.13 1z09 n ILE 30 Cb 0.47 -0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 38.61 1z09 n ILE 30 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1z09 s LYS 31 N -2.88 0.73 -0.29 0.38 2.20 -1.04 -5.00 119.74 113.85 1z09 s LYS 31 Ca 0.13 -0.39 -0.23 0.00 -0.36 0.00 0.00 55.97 55.11 1z09 s LYS 31 Cb 0.14 0.26 0.14 0.00 -1.51 0.00 0.00 37.83 36.86 1z09 s LYS 31 CO 0.36 -0.34 1.13 0.45 -0.36 0.00 0.00 175.35 176.59 1z09 s SER 32 N -2.88 -0.35 0.00 1.43 0.15 -1.26 -1.67 113.70 109.11 1z09 s SER 32 Ca 0.13 0.66 0.18 0.00 0.70 0.00 0.00 55.95 57.62 1z09 s SER 32 Cb 0.02 0.75 0.44 0.00 -1.71 0.00 0.00 66.02 65.52 1z09 s SER 32 CO -0.02 -0.11 1.36 0.35 1.20 0.00 0.00 173.24 176.02 1z09 n THR 33 N 2.30 0.78 -0.63 6.45 -2.24 -0.86 -4.57 114.28 115.51 1z09 n THR 33 Ca -0.13 -0.89 0.08 0.00 -2.27 0.00 0.00 64.05 60.84 1z09 n THR 33 Cb 0.56 0.70 0.25 0.00 -2.10 0.00 0.00 70.33 69.74 1z09 n THR 33 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1z09 n MET 34 N 1.20 3.19 0.00 -0.78 0.00 -1.26 -4.74 117.12 114.72 1z09 n MET 34 Ca 0.18 -2.61 0.00 0.00 0.00 0.00 0.00 57.70 55.27 1z09 n MET 34 Cb 0.53 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.07 1z09 n MET 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1z09 n ASP 35 N 0.27 -0.65 -0.19 3.17 5.75 -1.26 -4.44 116.55 119.20 1z09 n ASP 35 Ca 0.19 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1z09 n ASP 35 Cb 0.75 0.51 0.09 0.00 -1.03 0.00 0.00 41.12 41.44 1z09 n ASP 35 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1z09 h ASN 36 N 0.00 -0.25 -0.17 -1.12 -1.24 -1.98 0.10 115.58 110.92 1z09 h ASN 36 Ca 0.00 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1z09 h ASN 36 Cb 0.00 0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1z09 h ASN 36 CO 0.00 -0.10 0.08 1.55 -1.29 0.00 0.00 177.43 177.67 1z09 h PRO 37 N 0.12 0.24 -0.79 6.67 0.13 -2.00 -1.44 132.00 134.92 1z09 h PRO 37 Ca 0.30 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.35 1z09 h PRO 37 Cb 0.48 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1z09 h PRO 37 CO -0.49 0.29 0.31 1.15 -0.23 0.00 0.00 178.00 179.03 1z09 h THR 38 N 0.14 1.26 0.02 1.56 2.02 -1.72 -0.85 112.91 115.34 1z09 h THR 38 Ca 0.06 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1z09 h THR 38 Cb 0.13 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1z09 h THR 38 CO -0.01 0.34 -0.19 0.74 0.37 0.00 0.00 175.52 176.78 1z09 h THR 39 N 1.16 0.56 0.12 3.16 2.02 -0.56 -2.45 112.91 116.93 1z09 h THR 39 Ca 0.26 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.15 1z09 h THR 39 Cb 0.23 0.56 0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1z09 h THR 39 CO -0.02 0.00 -1.24 0.74 0.37 0.00 0.00 175.52 175.37 1z09 h THR 40 N -0.31 1.33 -0.89 3.16 2.02 -1.19 -0.27 112.91 116.75 1z09 h THR 40 Ca 0.05 -2.59 0.05 0.00 0.77 0.00 0.00 66.41 64.69 1z09 h THR 40 Cb 0.37 2.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.47 1z09 h THR 40 CO -0.16 0.78 0.57 1.56 0.37 0.00 0.00 175.52 178.64 1z09 h GLN 41 N 0.22 1.04 0.13 6.66 4.20 -1.13 -1.54 115.11 124.70 1z09 h GLN 41 Ca -0.18 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.17 1z09 h GLN 41 Cb 1.92 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.46 1z09 h GLN 41 CO 0.23 0.69 -1.54 1.88 -0.67 0.00 0.00 178.83 179.41 1z09 h TYR 42 N 1.07 0.50 -0.30 2.96 -1.99 -1.52 -3.21 116.97 114.46 1z09 h TYR 42 Ca 0.37 -0.36 0.07 0.00 2.00 0.00 0.00 58.73 60.81 1z09 h TYR 42 Cb 0.10 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 38.74 1z09 h TYR 42 CO -0.02 1.60 -0.17 0.00 -0.00 0.00 0.00 178.16 179.58 1z09 h ALA 43 N -0.01 0.06 -0.67 3.88 0.00 -0.91 1.08 119.26 122.69 1z09 h ALA 43 Ca -0.33 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1z09 h ALA 43 Cb 1.85 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 20.00 1z09 h ALA 43 CO 0.08 -0.56 0.32 0.77 0.00 0.00 0.00 179.25 179.86 1z09 h SER 44 N -0.13 0.89 -0.10 0.00 0.02 -1.45 0.25 113.55 113.03 1z09 h SER 44 Ca 0.16 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1z09 h SER 44 Cb 0.37 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1z09 h SER 44 CO -0.39 0.77 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.80 1z09 h LEU 45 N 0.94 0.35 -0.50 5.07 3.38 -1.28 -3.03 115.31 120.24 1z09 h LEU 45 Ca 0.23 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1z09 h LEU 45 Cb 0.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1z09 h LEU 45 CO -0.03 0.85 -0.04 0.24 0.09 0.00 0.00 178.44 179.55 1z09 h MET 46 N -0.14 0.91 -0.24 1.13 2.86 0.12 -3.09 114.93 116.49 1z09 h MET 46 Ca 0.00 -0.31 0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1z09 h MET 46 Cb 0.80 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 1z09 h MET 46 CO 0.05 0.96 -0.19 1.25 1.06 0.00 0.00 176.91 180.03 1z09 h HIS 47 N 0.77 -0.50 -0.57 -0.22 -0.00 -0.54 -1.22 115.15 112.87 1z09 h HIS 47 Ca 0.14 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.65 1z09 h HIS 47 Cb 0.58 0.26 -0.09 0.00 -0.00 0.00 0.00 27.41 28.15 1z09 h HIS 47 CO 0.04 -0.27 0.04 1.03 -0.00 0.00 0.00 177.93 178.77 1z09 h SER 48 N -0.19 -0.17 -0.59 3.26 0.87 -1.47 -0.77 113.55 114.48 1z09 h SER 48 Ca 0.14 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1z09 h SER 48 Cb 0.40 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1z09 h SER 48 CO -0.35 -0.06 0.39 0.15 -0.53 0.00 0.00 176.83 176.42 1z09 h PHE 49 N 0.16 0.74 -0.23 2.24 3.57 -1.18 -2.76 116.94 119.47 1z09 h PHE 49 Ca 0.30 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.87 1z09 h PHE 49 Cb 0.46 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1z09 h PHE 49 CO -0.31 0.47 -0.13 0.82 -2.23 0.00 0.00 178.31 176.93 1z09 h ILE 50 N 0.80 0.61 -0.34 1.41 1.08 -0.25 -0.46 117.51 120.36 1z09 h ILE 50 Ca 0.22 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.72 1z09 h ILE 50 Cb -0.09 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1z09 h ILE 50 CO -0.05 0.00 0.23 -0.07 -0.69 0.00 0.00 178.15 177.57 1z09 h LEU 51 N -0.10 0.27 -0.00 1.44 3.38 -1.46 -2.58 115.31 116.25 1z09 h LEU 51 Ca 0.13 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1z09 h LEU 51 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1z09 h LEU 51 CO -0.30 0.19 -0.03 0.11 0.09 0.00 0.00 178.44 178.50 1z09 h LYS 52 N 0.31 -0.05 0.44 1.13 1.57 -0.98 0.96 116.57 119.95 1z09 h LYS 52 Ca 0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1z09 h LYS 52 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1z09 h LYS 52 CO -0.03 -0.03 -0.33 0.00 -0.57 0.00 0.00 179.45 178.48 1z09 h ALA 53 N 0.95 -1.09 -0.74 3.86 0.00 -1.26 1.17 119.26 122.15 1z09 h ALA 53 Ca 0.02 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1z09 h ALA 53 Cb 0.07 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1z09 h ALA 53 CO -0.04 -1.09 0.39 0.00 0.00 0.00 0.00 179.25 178.52 1z09 h ARG 54 N -0.75 0.64 0.84 0.00 3.08 -1.45 0.65 114.38 117.39 1z09 h ARG 54 Ca -0.06 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1z09 h ARG 54 Cb 0.62 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.53 1z09 h ARG 54 CO 0.02 0.43 -0.40 0.77 -1.07 0.00 0.00 179.97 179.71 1z09 h SER 55 N 0.66 -0.96 -0.66 7.04 0.02 0.13 -0.47 113.55 119.32 1z09 h SER 55 Ca 0.36 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 1z09 h SER 55 Cb 0.36 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1z09 h SER 55 CO -0.26 -0.66 0.37 0.71 -1.14 0.00 0.00 176.83 175.85 1z09 h THR 56 N -1.17 0.97 0.02 -2.27 1.35 0.18 -0.83 112.91 111.17 1z09 h THR 56 Ca -0.12 -0.23 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1z09 h THR 56 Cb 0.87 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 1z09 h THR 56 CO 0.19 0.12 -0.12 0.58 -0.25 0.00 0.00 175.52 176.04 1z09 h VAL 57 N 0.68 0.70 0.00 6.82 2.07 0.45 -2.59 116.25 124.38 1z09 h VAL 57 Ca 0.30 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.75 1z09 h VAL 57 Cb 0.18 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1z09 h VAL 57 CO -0.18 0.00 -0.33 -0.09 0.02 0.00 0.00 177.57 176.99 1z09 h ARG 58 N -0.21 0.00 -0.99 1.57 2.43 -0.77 -3.18 114.38 113.23 1z09 h ARG 58 Ca 0.04 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1z09 h ARG 58 Cb 0.26 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.72 1z09 h ARG 58 CO -0.11 0.33 0.62 -0.44 -1.51 0.00 0.00 179.97 178.86 1z09 h ASP 59 N 0.00 0.89 0.22 -3.80 3.32 -0.74 -2.90 116.42 113.41 1z09 h ASP 59 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1z09 h ASP 59 Cb 0.78 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1z09 h ASP 59 CO 0.04 0.45 -0.11 0.40 -1.72 0.00 0.00 179.24 178.31 1z09 h ILE 60 N 0.95 0.56 -1.94 0.35 2.04 -1.61 -3.48 117.51 114.38 1z09 h ILE 60 Ca 0.50 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1z09 h ILE 60 Cb 0.54 0.94 -0.22 0.00 -0.74 0.00 0.00 36.82 37.34 1z09 h ILE 60 CO -0.28 0.15 0.18 1.51 0.00 0.00 0.00 178.15 179.70 1z09 s ASP 61 N -5.32 -0.71 0.29 1.72 -4.77 -1.10 -5.01 116.67 101.77 1z09 s ASP 61 Ca -0.11 1.37 0.25 0.00 -3.30 0.00 0.00 52.55 50.76 1z09 s ASP 61 Cb 0.00 1.38 1.01 0.00 -1.09 0.00 0.00 42.92 44.22 1z09 s ASP 61 CO 0.38 -0.23 1.75 1.55 0.70 0.00 0.00 175.17 179.31 1z09 h PRO 62 N 4.93 0.00 -0.44 2.11 0.13 -1.87 -3.20 132.00 133.65 1z09 h PRO 62 Ca -0.29 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1z09 h PRO 62 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1z09 h PRO 62 CO 0.06 0.00 0.39 1.96 -0.23 0.00 0.00 178.00 180.19 1z09 h GLN 63 N 0.00 0.00 -5.64 0.86 4.20 -1.95 -3.42 115.11 109.16 1z09 h GLN 63 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 1z09 h GLN 63 Cb 0.42 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 1z09 h GLN 63 CO 0.00 0.00 -0.37 0.54 -0.67 0.00 0.00 178.83 178.33 1z09 s ASN 64 N -5.71 4.45 -0.03 1.46 2.20 -1.21 -5.15 114.94 110.95 1z09 s ASN 64 Ca -0.05 -1.42 -0.29 0.00 -0.94 0.00 0.00 52.86 50.17 1z09 s ASN 64 Cb 0.17 0.53 0.09 0.00 -2.00 0.00 0.00 41.25 40.04 1z09 s ASN 64 CO 0.63 -1.05 0.79 -0.62 -2.94 0.00 0.00 177.10 173.90 1z09 s ASP 65 N -4.15 -0.51 0.44 3.54 2.15 -1.26 -4.86 116.67 112.02 1z09 s ASP 65 Ca 0.22 0.34 -0.21 0.00 0.43 0.00 0.00 52.55 53.33 1z09 s ASP 65 Cb -0.01 0.46 -0.10 0.00 -0.30 0.00 0.00 42.92 42.97 1z09 s ASP 65 CO 0.14 -0.62 1.00 -0.22 -0.17 0.00 0.00 175.17 175.30 1z09 s LEU 66 N -1.76 3.95 0.00 -1.34 0.20 -1.26 -4.96 118.68 113.52 1z09 s LEU 66 Ca -0.03 1.85 0.00 0.00 0.69 0.00 0.00 54.13 56.64 1z09 s LEU 66 Cb -0.01 -4.47 0.00 0.00 -0.43 0.00 0.00 46.19 41.28 1z09 s LEU 66 CO -0.01 -0.54 0.00 1.07 -0.29 0.00 0.00 176.35 176.58 1z09 n THR 67 N -0.63 0.00 -3.63 3.68 5.66 -1.26 -5.10 114.28 113.00 1z09 n THR 67 Ca 0.07 -0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.02 1z09 n THR 67 Cb 0.53 0.14 -0.05 0.00 -1.55 0.00 0.00 70.33 69.40 1z09 n THR 67 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1z09 s PHE 68 N -0.45 -0.18 0.10 1.09 2.19 -1.26 -4.78 117.98 114.69 1z09 s PHE 68 Ca 0.00 0.35 -0.12 0.00 0.33 0.00 0.00 56.93 57.49 1z09 s PHE 68 Cb 0.00 0.47 0.02 0.00 -1.31 0.00 0.00 43.02 42.19 1z09 s PHE 68 CO 0.00 -0.14 0.29 -0.51 1.83 0.00 0.00 175.22 176.69 1z09 s LEU 69 N -0.71 0.93 -0.29 6.12 1.43 0.44 -5.02 118.68 121.59 1z09 s LEU 69 Ca 0.05 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1z09 s LEU 69 Cb -0.02 1.41 0.14 0.00 0.03 0.00 0.00 46.19 47.75 1z09 s LEU 69 CO -0.07 -0.77 0.60 0.00 0.23 0.00 0.00 176.35 176.35 1z09 s ARG 70 N -3.67 0.54 -0.13 1.70 1.70 -1.26 0.11 118.95 117.94 1z09 s ARG 70 Ca 0.03 1.27 -0.19 0.00 -0.47 0.00 0.00 55.73 56.36 1z09 s ARG 70 Cb 0.03 0.70 -0.04 0.00 -0.57 0.00 0.00 34.95 35.07 1z09 s ARG 70 CO -0.10 -0.33 0.53 0.42 -1.08 0.00 0.00 175.30 174.74 1z09 s ILE 71 N 2.85 5.14 0.40 4.99 1.01 -1.25 -5.00 121.20 129.34 1z09 s ILE 71 Ca 0.02 1.06 -0.15 0.00 0.00 0.00 0.00 60.65 61.58 1z09 s ILE 71 Cb -0.13 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 1z09 s ILE 71 CO -0.19 0.27 0.83 -0.13 0.00 0.00 0.00 174.94 175.72 1z09 s ARG 72 N 0.94 3.95 -0.09 2.79 1.81 -1.26 -2.91 118.95 124.18 1z09 s ARG 72 Ca 0.28 0.72 -0.10 0.00 -1.72 0.00 0.00 55.73 54.90 1z09 s ARG 72 Cb -0.16 -2.32 0.03 0.00 -0.45 0.00 0.00 34.95 32.04 1z09 s ARG 72 CO 0.11 -0.02 0.28 -1.12 -0.68 0.00 0.00 175.30 173.88 1z09 s SER 73 N -2.71 -0.27 0.11 0.23 0.01 -0.73 -4.95 113.70 105.40 1z09 s SER 73 Ca 0.55 0.48 -0.22 0.00 1.31 0.00 0.00 55.95 58.07 1z09 s SER 73 Cb -0.10 0.53 -0.07 0.00 0.21 0.00 0.00 66.02 66.59 1z09 s SER 73 CO 0.24 -0.15 1.71 0.50 0.41 0.00 0.00 173.24 175.95 1z09 h LYS 74 N 5.41 -0.05 -0.01 12.44 1.63 -2.04 -2.55 116.57 131.41 1z09 h LYS 74 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1z09 h LYS 74 Cb 1.19 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1z09 h LYS 74 CO 0.34 -0.03 0.00 1.63 -3.45 0.00 0.00 179.45 177.94 1z09 n LYS 75 N -5.18 1.45 -3.21 1.90 4.76 -1.26 -4.98 118.16 111.65 1z09 n LYS 75 Ca -0.04 -0.65 0.01 0.00 -2.87 0.00 0.00 58.31 54.76 1z09 n LYS 75 Cb 0.11 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1z09 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1z09 n ASN 76 N -0.20 -0.82 -3.66 4.39 5.15 -0.96 -5.10 115.26 114.06 1z09 n ASN 76 Ca 0.21 -1.21 -0.08 0.00 -0.60 0.00 0.00 54.58 52.90 1z09 n ASN 76 Cb 0.28 1.27 -0.09 0.00 -0.53 0.00 0.00 39.78 40.71 1z09 n ASN 76 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1z09 s GLU 77 N -2.01 0.37 0.45 1.20 2.12 -1.23 -1.78 118.70 117.83 1z09 s GLU 77 Ca 0.19 1.06 0.02 0.00 0.36 0.00 0.00 54.97 56.60 1z09 s GLU 77 Cb -0.01 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1z09 s GLU 77 CO 0.00 -0.23 0.66 0.42 -0.54 0.00 0.00 175.26 175.57 1z09 s ILE 78 N 2.48 3.64 -0.05 -3.70 1.01 -1.14 -3.28 121.20 120.16 1z09 s ILE 78 Ca -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 1z09 s ILE 78 Cb -0.11 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1z09 s ILE 78 CO -0.14 -0.21 0.11 -0.04 0.00 0.00 0.00 174.94 174.67 1z09 s MET 79 N -4.53 0.10 -0.06 2.79 -1.94 -1.17 -3.90 119.30 110.59 1z09 s MET 79 Ca 0.50 0.22 0.02 0.00 -1.71 0.00 0.00 55.69 54.72 1z09 s MET 79 Cb -0.10 -0.04 0.01 0.00 2.01 0.00 0.00 34.83 36.72 1z09 s MET 79 CO 0.37 -0.07 -0.11 0.08 -0.01 0.00 0.00 175.02 175.27 1z09 s VAL 80 N 0.47 1.05 -0.51 -6.03 1.01 0.31 -1.79 120.40 114.91 1z09 s VAL 80 Ca -0.03 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1z09 s VAL 80 Cb -0.05 -0.96 0.20 0.00 0.00 0.00 0.00 36.38 35.57 1z09 s VAL 80 CO -0.02 0.33 0.73 0.00 0.00 0.00 0.00 175.10 176.14 1z09 n ALA 81 N 3.75 -1.55 -2.58 5.51 0.00 -1.15 -0.42 120.51 124.08 1z09 n ALA 81 Ca -0.23 -1.20 -0.43 0.00 0.00 0.00 0.00 53.44 51.58 1z09 n ALA 81 Cb 0.52 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1z09 n ALA 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1z09 s PRO 82 N 0.78 3.60 0.07 0.00 0.04 -1.26 -4.33 135.00 133.90 1z09 s PRO 82 Ca 0.30 0.29 -0.23 0.00 0.04 0.00 0.00 61.00 61.40 1z09 s PRO 82 Cb 0.04 -3.92 0.06 0.00 0.04 0.00 0.00 34.50 30.72 1z09 s PRO 82 CO -0.09 -1.26 0.56 0.34 0.04 0.00 0.00 177.00 176.59 1z09 s ASP 83 N 2.31 -0.49 0.00 6.66 2.15 -1.11 -4.92 116.67 121.27 1z09 s ASP 83 Ca 0.40 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.56 1z09 s ASP 83 Cb -0.09 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.05 1z09 s ASP 83 CO 0.28 -0.78 0.00 0.29 -0.17 0.00 0.00 175.17 174.79 1z09 n LYS 84 N 0.23 0.00 0.00 4.34 4.76 -1.26 -3.56 118.16 122.68 1z09 n LYS 84 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1z09 n LYS 84 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1z09 n LYS 84 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1z09 n ASP 85 N 3.41 0.00 -2.69 4.39 2.03 -1.26 -5.07 116.55 117.36 1z09 n ASP 85 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1z09 n ASP 85 Cb 0.00 0.18 0.06 0.00 -0.72 0.00 0.00 41.12 40.64 1z09 n ASP 85 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1z09 n TYR 86 N -2.09 -3.70 -3.34 -0.67 4.01 -1.23 -4.01 117.16 106.13 1z09 n TYR 86 Ca 0.00 -0.45 -0.04 0.00 -0.16 0.00 0.00 57.90 57.24 1z09 n TYR 86 Cb 0.00 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 38.68 1z09 n TYR 86 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1z09 s PHE 87 N -1.50 -1.11 0.11 -0.72 0.40 0.45 -2.76 117.98 112.86 1z09 s PHE 87 Ca 0.23 1.28 -0.07 0.00 -0.60 0.00 0.00 56.93 57.78 1z09 s PHE 87 Cb -0.01 0.28 -0.01 0.00 0.51 0.00 0.00 43.02 43.78 1z09 s PHE 87 CO 0.16 -0.74 0.17 -0.48 0.70 0.00 0.00 175.22 175.03 1z09 s LEU 88 N 2.68 1.47 -0.17 -0.37 2.34 -1.26 0.14 118.68 123.50 1z09 s LEU 88 Ca 0.13 -0.84 -0.00 0.00 0.06 0.00 0.00 54.13 53.48 1z09 s LEU 88 Cb -0.15 0.88 0.00 0.00 -0.56 0.00 0.00 46.19 46.36 1z09 s LEU 88 CO -0.17 -0.76 -0.15 -0.63 -1.06 0.00 0.00 176.35 173.58 1z09 s ILE 89 N -3.93 2.61 -0.41 1.48 1.01 -1.01 -2.95 121.20 118.00 1z09 s ILE 89 Ca 0.11 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1z09 s ILE 89 Cb 0.05 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.45 1z09 s ILE 89 CO -0.06 0.51 0.27 -0.69 0.00 0.00 0.00 174.94 174.97 1z09 s VAL 90 N 1.07 4.76 -0.18 2.92 1.01 -0.74 -2.61 120.40 126.64 1z09 s VAL 90 Ca -0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1z09 s VAL 90 Cb -0.14 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1z09 s VAL 90 CO -0.04 -0.38 0.85 -0.63 0.00 0.00 0.00 175.10 174.90 1z09 s ILE 91 N 1.57 4.86 0.19 2.22 1.09 -0.58 -3.07 121.20 127.48 1z09 s ILE 91 Ca 0.03 1.65 -0.12 0.00 -1.10 0.00 0.00 60.65 61.11 1z09 s ILE 91 Cb -0.21 -4.15 0.00 0.00 -1.06 0.00 0.00 42.46 37.05 1z09 s ILE 91 CO 0.06 0.01 0.39 -1.58 -0.10 0.00 0.00 174.94 173.72 1z09 s GLN 92 N 2.27 1.30 -0.03 2.79 0.74 -1.21 -2.15 119.66 123.37 1z09 s GLN 92 Ca 0.38 -1.10 -0.17 0.00 0.05 0.00 0.00 55.36 54.52 1z09 s GLN 92 Cb -0.16 0.44 0.06 0.00 1.10 0.00 0.00 33.01 34.44 1z09 s GLN 92 CO 0.12 -0.51 0.77 -1.71 -0.55 0.00 0.00 175.29 173.40 1z09 n ASN 93 N -0.28 -0.66 -2.83 6.67 4.05 -1.10 -3.49 115.26 117.61 1z09 n ASN 93 Ca -0.07 -1.10 0.00 0.00 0.45 0.00 0.00 54.58 53.86 1z09 n ASN 93 Cb 0.63 1.02 0.00 0.00 1.23 0.00 0.00 39.78 42.66 1z09 n ASN 93 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1z09 n PRO 94 N -0.55 0.64 0.17 1.20 -0.04 -1.26 -3.70 135.00 131.45 1z09 n PRO 94 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1z09 n PRO 94 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1z09 n PRO 94 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1z09 n THR 95 N -0.71 0.00 1.94 0.52 -1.04 -1.26 -4.77 114.28 108.96 1z09 n THR 95 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1z09 n THR 95 Cb 0.00 -0.10 0.90 0.00 -1.82 0.00 0.00 70.33 69.31 1z09 n THR 95 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64