#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 0.54 -0.34 -5.12 0.00 -2.06 -2.72 119.26 109.55 1z09 h ALA 2 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1z09 h ALA 2 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1z09 h ALA 2 CO 0.00 0.51 0.13 0.93 0.00 0.00 0.00 179.25 180.82 1z09 h GLU 3 N 0.62 0.48 -0.85 0.00 5.08 -2.06 -1.65 114.58 116.20 1z09 h GLU 3 Ca 0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1z09 h GLU 3 Cb 0.78 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1z09 h GLU 3 CO 0.06 0.41 0.47 0.28 -1.00 0.00 0.00 179.01 179.24 1z09 h VAL 4 N 0.48 1.25 -0.33 3.13 2.07 -1.94 -1.93 116.25 118.98 1z09 h VAL 4 Ca 0.12 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1z09 h VAL 4 Cb 0.12 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1z09 h VAL 4 CO -0.01 0.27 -0.10 -0.33 0.02 0.00 0.00 177.57 177.42 1z09 h GLU 5 N 1.18 0.55 -0.71 1.57 5.08 -1.10 -2.46 114.58 118.69 1z09 h GLU 5 Ca 0.30 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1z09 h GLU 5 Cb 0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1z09 h GLU 5 CO -0.05 0.65 0.26 1.49 -1.00 0.00 0.00 179.01 180.36 1z09 h GLU 6 N 0.51 1.09 -0.50 2.33 4.81 -0.93 -2.69 114.58 119.19 1z09 h GLU 6 Ca 0.10 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1z09 h GLU 6 Cb 0.49 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1z09 h GLU 6 CO 0.03 0.91 0.30 1.15 -0.73 0.00 0.00 179.01 180.66 1z09 h THR 7 N 1.03 1.15 -0.95 0.32 2.02 -0.95 -2.51 112.91 113.03 1z09 h THR 7 Ca 0.24 -0.35 0.12 0.00 0.77 0.00 0.00 66.41 67.18 1z09 h THR 7 Cb 0.25 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 1z09 h THR 7 CO -0.01 0.16 0.61 -0.07 0.37 0.00 0.00 175.52 176.57 1z09 h LEU 8 N 0.67 0.85 -1.38 2.58 3.38 -1.15 -0.71 115.31 119.53 1z09 h LEU 8 Ca 0.18 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1z09 h LEU 8 Cb -0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1z09 h LEU 8 CO -0.03 0.46 0.48 0.11 0.09 0.00 0.00 178.44 179.55 1z09 h LYS 9 N 0.91 0.71 0.00 1.13 1.57 -1.28 0.70 116.57 120.32 1z09 h LYS 9 Ca 0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1z09 h LYS 9 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1z09 h LYS 9 CO -0.23 0.47 0.00 -0.09 -0.57 0.00 0.00 179.45 179.03 1z09 h ARG 10 N 0.73 0.00 0.00 3.15 2.43 -1.14 0.01 114.38 119.56 1z09 h ARG 10 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1z09 h ARG 10 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1z09 h ARG 10 CO -0.11 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.63 1z09 n LEU 11 N -3.07 0.09 -0.22 3.80 4.77 0.24 -3.60 117.00 119.02 1z09 n LEU 11 Ca -0.01 0.51 -0.04 0.00 -0.03 0.00 0.00 56.01 56.44 1z09 n LEU 11 Cb 0.18 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1z09 n LEU 11 CO 0.23 -0.08 1.10 -0.61 -1.33 0.00 0.00 177.39 176.70 1z09 h GLN 12 N 0.00 0.70 0.00 3.23 4.15 -0.92 -3.44 115.11 118.83 1z09 h GLN 12 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1z09 h GLN 12 Cb 0.47 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1z09 h GLN 12 CO 0.00 0.47 0.00 0.45 -1.93 0.00 0.00 178.83 177.82 1z09 n SER 13 N -4.75 0.00 0.00 -0.69 2.88 -1.24 -4.59 113.62 105.24 1z09 n SER 13 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1z09 n SER 13 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1z09 n SER 13 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1z09 n GLN 14 N 0.00 0.00 -0.07 -1.46 -0.06 -1.26 -4.86 117.38 109.67 1z09 n GLN 14 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 1z09 n GLN 14 Cb 0.00 -2.45 -0.01 0.00 -4.06 0.00 0.00 30.24 23.72 1z09 n GLN 14 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1z09 h LYS 15 N 2.03 0.18 0.00 3.69 1.57 -1.96 -3.38 116.57 118.70 1z09 h LYS 15 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1z09 h LYS 15 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1z09 h LYS 15 CO 0.00 0.12 -0.18 0.41 -0.57 0.00 0.00 179.45 179.22 1z09 n GLY 16 N -1.19 0.83 3.73 3.86 0.00 -1.26 -5.03 105.19 106.13 1z09 n GLY 16 Ca -0.01 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.22 -0.08 1.61 1.01 -1.26 -2.29 120.40 121.61 1z09 s VAL 17 Ca 0.02 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1z09 s VAL 17 Cb 0.02 -3.10 -0.24 0.00 0.00 0.00 0.00 36.38 33.06 1z09 s VAL 17 CO -0.01 0.02 0.53 0.00 0.00 0.00 0.00 175.10 175.63 1z09 n GLN 18 N 3.56 0.67 -3.64 2.72 6.02 0.30 -4.91 117.38 122.11 1z09 n GLN 18 Ca 0.13 0.26 -0.05 0.00 -0.01 0.00 0.00 57.00 57.34 1z09 n GLN 18 Cb 0.37 -1.75 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 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 -5.29 0.12 -0.03 1.08 0.00 -1.06 -4.83 107.32 97.32 1z09 s GLY 19 Ca -0.10 3.02 0.08 0.00 0.00 0.00 0.00 44.72 47.72 1z09 s GLY 19 CO 0.81 1.61 -0.26 -0.42 0.00 0.00 0.00 173.10 174.84 1z09 s ILE 20 N -0.32 2.06 -0.23 0.90 1.01 -1.26 -1.84 121.20 121.52 1z09 s ILE 20 Ca 0.06 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1z09 s ILE 20 Cb -0.03 -1.71 0.07 0.00 0.01 0.00 0.00 42.46 40.79 1z09 s ILE 20 CO -0.10 0.58 0.02 -0.63 0.00 0.00 0.00 174.94 174.81 1z09 s ILE 21 N -0.51 0.90 0.01 2.92 1.01 -0.79 -1.94 121.20 122.79 1z09 s ILE 21 Ca 0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1z09 s ILE 21 Cb -0.11 -1.39 -0.06 0.00 0.01 0.00 0.00 42.46 40.92 1z09 s ILE 21 CO 0.00 -0.27 0.56 -0.69 0.00 0.00 0.00 174.94 174.54 1z09 s VAL 22 N 1.67 4.90 0.02 2.92 1.01 0.38 -1.84 120.40 129.47 1z09 s VAL 22 Ca -0.00 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.18 1z09 s VAL 22 Cb -0.18 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1z09 s VAL 22 CO -0.11 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.67 1z09 s VAL 23 N -0.46 0.78 0.79 2.92 1.01 -0.09 0.48 120.40 125.84 1z09 s VAL 23 Ca 0.29 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1z09 s VAL 23 Cb -0.18 -0.72 0.14 0.00 0.00 0.00 0.00 36.38 35.63 1z09 s VAL 23 CO 0.17 -0.00 1.09 0.20 0.00 0.00 0.00 175.10 176.56 1z09 s ASN 24 N -0.82 4.01 0.17 3.32 0.01 -1.23 -0.20 114.94 120.21 1z09 s ASN 24 Ca -0.00 -0.14 0.11 0.00 -0.71 0.00 0.00 52.86 52.12 1z09 s ASN 24 Cb -0.06 -0.16 0.62 0.00 0.41 0.00 0.00 41.25 42.06 1z09 s ASN 24 CO 0.00 -2.10 1.34 0.41 -1.51 0.00 0.00 177.10 175.24 1z09 n THR 25 N -3.11 1.45 0.15 1.60 -1.04 -1.08 -1.77 114.28 110.48 1z09 n THR 25 Ca 0.15 0.63 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 1z09 n THR 25 Cb 0.60 -1.63 0.21 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.16 -2.82 5.08 -1.91 -3.47 114.58 111.30 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 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1z09 h GLU 26 CO 0.00 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 1z09 n GLY 27 N 0.22 1.20 3.01 -3.84 0.00 -0.73 -5.08 105.19 99.98 1z09 n GLY 27 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.16 -0.53 0.35 -0.61 -1.09 -1.26 -5.02 121.20 110.89 1z09 s ILE 28 Ca 0.00 0.09 -0.28 0.00 -2.23 0.00 0.00 60.65 58.22 1z09 s ILE 28 Cb 0.00 -0.65 -0.11 0.00 -1.58 0.00 0.00 42.46 40.12 1z09 s ILE 28 CO 0.00 -0.02 1.44 -2.16 -1.23 0.00 0.00 174.94 172.97 1z09 s PRO 29 N 2.50 4.19 0.00 2.79 0.04 -1.26 -3.53 135.00 139.73 1z09 s PRO 29 Ca 0.05 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1z09 s PRO 29 Cb -0.14 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1z09 s PRO 29 CO -0.12 -0.43 0.00 0.44 0.04 0.00 0.00 177.00 176.93 1z09 n ILE 30 N 0.70 0.00 -1.73 0.56 -0.00 0.18 -4.94 119.36 114.13 1z09 n ILE 30 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.37 1z09 n ILE 30 Cb 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 40.07 1z09 n ILE 30 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1z09 n LYS 31 N 0.00 1.86 -3.61 6.28 3.00 -1.23 -4.70 118.16 119.76 1z09 n LYS 31 Ca 0.00 0.67 -0.07 0.00 -0.00 0.00 0.00 58.31 58.91 1z09 n LYS 31 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 35.03 32.48 1z09 n LYS 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1z09 s SER 32 N -0.70 -0.23 0.00 3.14 1.04 -1.26 0.14 113.70 115.84 1z09 s SER 32 Ca 0.66 0.26 0.21 0.00 0.48 0.00 0.00 55.95 57.57 1z09 s SER 32 Cb -0.45 0.21 0.61 0.00 0.10 0.00 0.00 66.02 66.48 1z09 s SER 32 CO 0.54 -0.20 1.48 0.35 0.98 0.00 0.00 173.24 176.39 1z09 n THR 33 N 0.71 0.32 -2.86 2.02 -2.24 -0.82 -4.92 114.28 106.49 1z09 n THR 33 Ca -0.06 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 60.94 1z09 n THR 33 Cb 0.58 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1z09 n THR 33 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1z09 s MET 34 N -1.68 3.61 0.09 -0.78 -1.94 -1.26 -4.77 119.30 112.57 1z09 s MET 34 Ca 0.34 0.19 -0.33 0.00 -1.71 0.00 0.00 55.69 54.19 1z09 s MET 34 Cb 0.19 -2.44 -0.15 0.00 2.01 0.00 0.00 34.83 34.44 1z09 s MET 34 CO 0.28 -0.07 1.60 0.22 -0.01 0.00 0.00 175.02 177.04 1z09 h ASP 35 N 0.74 -1.02 0.00 3.03 3.58 -1.95 -3.47 116.42 117.32 1z09 h ASP 35 Ca -0.47 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1z09 h ASP 35 Cb 1.20 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1z09 h ASP 35 CO 0.63 -0.56 0.00 -3.20 -2.88 0.00 0.00 179.24 173.23 1z09 n ASN 36 N -5.50 0.00 -0.16 2.28 5.15 -1.26 -4.97 115.26 110.80 1z09 n ASN 36 Ca -0.11 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.83 1z09 n ASN 36 Cb 0.40 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 39.82 1z09 n ASN 36 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1z09 h PRO 37 N 0.00 0.89 -0.74 1.20 0.13 -2.00 -2.03 132.00 129.44 1z09 h PRO 37 Ca 0.00 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1z09 h PRO 37 Cb 0.00 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 30.96 1z09 h PRO 37 CO 0.00 0.78 0.25 1.15 -0.23 0.00 0.00 178.00 179.96 1z09 h THR 38 N 0.86 1.26 -0.32 1.56 2.02 -1.94 -0.76 112.91 115.58 1z09 h THR 38 Ca 0.19 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1z09 h THR 38 Cb 0.28 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1z09 h THR 38 CO -0.00 0.35 -0.00 0.74 0.37 0.00 0.00 175.52 176.97 1z09 h THR 39 N 1.10 0.76 0.21 3.16 2.02 -1.71 -2.42 112.91 116.03 1z09 h THR 39 Ca 0.24 -0.03 -0.33 0.00 0.77 0.00 0.00 66.41 67.06 1z09 h THR 39 Cb 0.28 0.66 0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1z09 h THR 39 CO -0.01 0.02 -1.53 0.74 0.37 0.00 0.00 175.52 175.11 1z09 h THR 40 N 0.09 1.16 -0.94 3.16 2.02 -1.37 -1.52 112.91 115.51 1z09 h THR 40 Ca 0.16 -2.60 0.06 0.00 0.77 0.00 0.00 66.41 64.80 1z09 h THR 40 Cb 0.21 2.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.49 1z09 h THR 40 CO -0.26 0.81 0.60 0.06 0.37 0.00 0.00 175.52 177.10 1z09 h GLN 41 N 0.06 1.06 0.18 6.66 3.07 -1.12 -1.80 115.11 123.22 1z09 h GLN 41 Ca -0.28 -0.06 -0.32 0.00 0.09 0.00 0.00 58.65 58.08 1z09 h GLN 41 Cb 2.08 -0.24 0.01 0.00 0.08 0.00 0.00 27.48 29.41 1z09 h GLN 41 CO 0.22 0.70 -1.54 1.88 0.09 0.00 0.00 178.83 180.18 1z09 h TYR 42 N 1.09 0.69 -0.07 0.06 0.05 -1.56 -3.26 116.97 113.96 1z09 h TYR 42 Ca 0.41 -0.50 0.04 0.00 0.05 0.00 0.00 58.73 58.72 1z09 h TYR 42 Cb 0.16 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.82 1z09 h TYR 42 CO -0.02 1.60 -0.35 0.00 -1.05 0.00 0.00 178.16 178.34 1z09 h ALA 43 N 0.08 -0.47 -0.74 3.88 0.00 -1.00 0.82 119.26 121.83 1z09 h ALA 43 Ca -0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1z09 h ALA 43 Cb 1.99 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 20.38 1z09 h ALA 43 CO 0.17 -0.85 0.45 0.77 0.00 0.00 0.00 179.25 179.79 1z09 h SER 44 N -0.46 0.89 -0.17 0.00 0.02 -1.51 0.54 113.55 112.86 1z09 h SER 44 Ca 0.08 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1z09 h SER 44 Cb 0.58 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1z09 h SER 44 CO -0.33 0.69 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.87 1z09 h LEU 45 N 1.01 0.39 -0.53 5.07 3.38 -1.44 -3.05 115.31 120.15 1z09 h LEU 45 Ca 0.27 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1z09 h LEU 45 Cb -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1z09 h LEU 45 CO -0.05 0.74 -0.10 0.24 0.09 0.00 0.00 178.44 179.36 1z09 h MET 46 N 0.04 1.00 -0.16 1.13 2.86 0.85 -3.16 114.93 117.50 1z09 h MET 46 Ca 0.03 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.35 1z09 h MET 46 Cb 0.61 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 1z09 h MET 46 CO 0.03 1.05 -0.25 1.25 1.06 0.00 0.00 176.91 180.05 1z09 h HIS 47 N 0.88 -0.67 -0.42 -0.22 6.17 0.09 -1.56 115.15 119.41 1z09 h HIS 47 Ca 0.14 0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.34 1z09 h HIS 47 Cb 0.66 0.32 -0.09 0.00 2.52 0.00 0.00 27.41 30.83 1z09 h HIS 47 CO 0.05 -0.33 -0.18 1.03 0.71 0.00 0.00 177.93 179.21 1z09 h SER 48 N -0.30 -0.61 -0.98 3.26 0.87 -1.53 -1.94 113.55 112.32 1z09 h SER 48 Ca 0.11 0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1z09 h SER 48 Cb 0.47 0.35 -0.06 0.00 -0.44 0.00 0.00 62.40 62.71 1z09 h SER 48 CO -0.33 -0.21 0.64 0.15 -0.53 0.00 0.00 176.83 176.55 1z09 h PHE 49 N -0.09 1.19 -0.29 2.24 3.04 -1.33 -2.88 116.94 118.82 1z09 h PHE 49 Ca 0.21 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.23 1z09 h PHE 49 Cb 0.41 -0.39 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 1z09 h PHE 49 CO -0.43 0.66 0.03 0.82 -2.02 0.00 0.00 178.31 177.37 1z09 h ILE 50 N 1.21 0.83 -0.46 1.41 2.04 -0.49 -1.29 117.51 120.76 1z09 h ILE 50 Ca 0.40 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.29 1z09 h ILE 50 Cb 0.06 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1z09 h ILE 50 CO -0.14 0.02 0.31 -0.07 0.00 0.00 0.00 178.15 178.27 1z09 h LEU 51 N 0.13 0.29 -0.57 1.44 3.38 -1.44 -1.41 115.31 117.13 1z09 h LEU 51 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1z09 h LEU 51 Cb 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1z09 h LEU 51 CO -0.20 0.19 0.34 0.11 0.09 0.00 0.00 178.44 178.97 1z09 h LYS 52 N 0.33 0.78 0.51 1.13 6.56 -1.19 0.13 116.57 124.82 1z09 h LYS 52 Ca 0.20 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.70 1z09 h LYS 52 Cb 0.38 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1z09 h LYS 52 CO -0.05 0.57 -0.35 0.00 -2.06 0.00 0.00 179.45 177.56 1z09 h ALA 53 N 1.17 -1.13 -0.94 3.86 0.00 -1.08 1.20 119.26 122.33 1z09 h ALA 53 Ca 0.20 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1z09 h ALA 53 Cb -0.00 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1z09 h ALA 53 CO -0.04 -1.11 0.56 0.00 0.00 0.00 0.00 179.25 178.66 1z09 h ARG 54 N -0.81 0.80 0.35 0.00 3.08 -1.41 0.56 114.38 116.94 1z09 h ARG 54 Ca -0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1z09 h ARG 54 Cb 0.66 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1z09 h ARG 54 CO 0.05 0.53 -0.17 1.03 -1.07 0.00 0.00 179.97 180.34 1z09 h SER 55 N 0.82 -0.40 0.27 7.04 0.87 -0.29 -2.07 113.55 119.79 1z09 h SER 55 Ca 0.49 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1z09 h SER 55 Cb 0.60 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1z09 h SER 55 CO -0.31 -0.26 -0.25 0.74 -0.53 0.00 0.00 176.83 176.22 1z09 h THR 56 N -0.50 0.46 -0.42 2.23 2.02 0.35 -1.37 112.91 115.68 1z09 h THR 56 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1z09 h THR 56 Cb 0.38 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1z09 h THR 56 CO 0.08 0.00 0.23 -0.37 0.37 0.00 0.00 175.52 175.83 1z09 h VAL 57 N -0.55 1.00 -0.01 3.16 -1.51 0.01 -2.70 116.25 115.66 1z09 h VAL 57 Ca -0.01 -0.16 -0.11 0.00 -1.23 0.00 0.00 66.70 65.19 1z09 h VAL 57 Cb 0.50 0.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 1z09 h VAL 57 CO -0.05 0.08 -0.52 -0.09 -1.23 0.00 0.00 177.57 175.77 1z09 h ARG 58 N 0.46 0.03 -0.96 5.19 2.43 -1.32 -2.91 114.38 117.30 1z09 h ARG 58 Ca 0.17 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.47 1z09 h ARG 58 Cb 0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1z09 h ARG 58 CO -0.10 0.54 0.61 -0.44 -1.51 0.00 0.00 179.97 179.06 1z09 h ASP 59 N 0.02 0.79 0.00 -3.80 3.32 -0.90 -3.23 116.42 112.63 1z09 h ASP 59 Ca -0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1z09 h ASP 59 Cb 0.93 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1z09 h ASP 59 CO 0.07 0.39 0.00 -0.38 -1.72 0.00 0.00 179.24 177.60 1z09 n ILE 60 N -4.61 0.00 -3.28 0.35 5.41 -1.11 -4.85 119.36 111.26 1z09 n ILE 60 Ca 0.19 0.42 -0.38 0.00 1.00 0.00 0.00 62.75 63.98 1z09 n ILE 60 Cb 0.44 -0.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.34 1z09 n ILE 60 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1z09 s ASP 61 N -1.90 7.05 0.30 4.38 1.01 -1.14 -4.97 116.67 121.41 1z09 s ASP 61 Ca 0.00 1.25 0.23 0.00 0.71 0.00 0.00 52.55 54.74 1z09 s ASP 61 Cb 0.00 -2.36 0.14 0.00 1.01 0.00 0.00 42.92 41.71 1z09 s ASP 61 CO 0.00 0.27 1.27 1.55 0.21 0.00 0.00 175.17 178.47 1z09 h PRO 62 N 4.49 0.00 -0.29 8.23 0.13 -1.89 -3.34 132.00 139.33 1z09 h PRO 62 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1z09 h PRO 62 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1z09 h PRO 62 CO 0.63 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.45 1z09 n GLN 63 N -2.85 2.86 -3.63 0.86 6.02 -1.26 -5.02 117.38 114.36 1z09 n GLN 63 Ca 0.02 -2.26 -0.23 0.00 -0.01 0.00 0.00 57.00 54.51 1z09 n GLN 63 Cb 0.54 -1.43 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 1z09 n GLN 63 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1z09 s ASN 64 N -1.32 4.84 0.12 1.08 6.03 -1.25 -5.14 114.94 119.29 1z09 s ASN 64 Ca 0.27 -1.03 -0.25 0.00 -1.03 0.00 0.00 52.86 50.82 1z09 s ASN 64 Cb 0.18 0.11 0.07 0.00 -3.03 0.00 0.00 41.25 38.58 1z09 s ASN 64 CO 0.12 -1.02 0.89 -0.62 -2.03 0.00 0.00 177.10 174.44 1z09 s ASP 65 N -4.31 -0.27 -0.22 3.54 2.15 -1.26 -4.73 116.67 111.57 1z09 s ASP 65 Ca 0.43 -0.28 -0.26 0.00 0.43 0.00 0.00 52.55 52.87 1z09 s ASP 65 Cb -0.03 0.49 -0.00 0.00 -0.30 0.00 0.00 42.92 43.08 1z09 s ASP 65 CO 0.26 -0.88 0.89 -0.22 -0.17 0.00 0.00 175.17 175.06 1z09 s LEU 66 N -2.80 4.11 -0.01 -1.34 0.20 -1.26 -4.91 118.68 112.67 1z09 s LEU 66 Ca 0.09 1.17 0.18 0.00 0.69 0.00 0.00 54.13 56.27 1z09 s LEU 66 Cb -0.02 -3.30 -0.20 0.00 -0.43 0.00 0.00 46.19 42.24 1z09 s LEU 66 CO -0.02 -0.53 0.58 0.41 -0.29 0.00 0.00 176.35 176.51 1z09 n THR 67 N 5.13 0.95 -3.61 3.68 -1.04 -1.26 -4.87 114.28 113.26 1z09 n THR 67 Ca 0.07 -0.68 -0.03 0.00 -2.04 0.00 0.00 64.05 61.37 1z09 n THR 67 Cb 0.47 -0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 68.47 1z09 n THR 67 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1z09 s PHE 68 N -2.97 -0.08 0.09 -1.42 5.36 -1.26 -4.73 117.98 112.96 1z09 s PHE 68 Ca -0.06 0.04 -0.11 0.00 -0.96 0.00 0.00 56.93 55.84 1z09 s PHE 68 Cb 0.09 0.51 0.01 0.00 -0.34 0.00 0.00 43.02 43.30 1z09 s PHE 68 CO 0.84 -0.14 0.26 -1.17 -1.46 0.00 0.00 175.22 173.55 1z09 s LEU 69 N -2.19 1.07 -0.29 6.12 0.20 -1.25 -5.03 118.68 117.30 1z09 s LEU 69 Ca 0.11 -0.48 0.05 0.00 0.69 0.00 0.00 54.13 54.50 1z09 s LEU 69 Cb -0.00 1.29 0.19 0.00 -0.43 0.00 0.00 46.19 47.23 1z09 s LEU 69 CO -0.04 -0.74 0.54 -0.60 -0.29 0.00 0.00 176.35 175.23 1z09 s ARG 70 N -3.58 0.52 -0.10 1.98 3.52 -1.26 -3.35 118.95 116.68 1z09 s ARG 70 Ca 0.02 0.43 -0.16 0.00 -0.13 0.00 0.00 55.73 55.90 1z09 s ARG 70 Cb 0.03 0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.47 1z09 s ARG 70 CO -0.10 -1.05 0.40 0.42 -0.81 0.00 0.00 175.30 174.17 1z09 s ILE 71 N 2.75 5.18 0.38 4.11 1.01 0.44 -4.93 121.20 130.14 1z09 s ILE 71 Ca 0.10 0.80 -0.19 0.00 0.00 0.00 0.00 60.65 61.35 1z09 s ILE 71 Cb -0.11 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 1z09 s ILE 71 CO -0.27 0.41 0.87 -0.13 0.00 0.00 0.00 174.94 175.82 1z09 s ARG 72 N 0.11 4.19 -0.10 2.79 1.81 -1.26 -0.13 118.95 126.35 1z09 s ARG 72 Ca 0.22 0.98 -0.12 0.00 -1.72 0.00 0.00 55.73 55.10 1z09 s ARG 72 Cb -0.15 -2.35 0.03 0.00 -0.45 0.00 0.00 34.95 32.03 1z09 s ARG 72 CO 0.09 0.08 0.32 -1.12 -0.68 0.00 0.00 175.30 173.99 1z09 s SER 73 N -2.14 -0.31 0.32 0.23 0.01 -1.05 -4.82 113.70 105.95 1z09 s SER 73 Ca 0.57 0.55 0.01 0.00 1.31 0.00 0.00 55.95 58.40 1z09 s SER 73 Cb -0.11 0.60 0.57 0.00 0.21 0.00 0.00 66.02 67.30 1z09 s SER 73 CO 0.16 -0.16 1.96 0.11 0.41 0.00 0.00 173.24 175.71 1z09 h LYS 74 N 5.37 0.93 0.00 12.44 1.79 -2.02 -2.67 116.57 132.41 1z09 h LYS 74 Ca -0.27 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1z09 h LYS 74 Cb 1.19 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1z09 h LYS 74 CO 0.32 0.62 -0.33 0.87 -1.08 0.00 0.00 179.45 179.85 1z09 h LYS 75 N 0.96 0.00 -1.67 3.15 1.57 -1.99 -3.49 116.57 115.10 1z09 h LYS 75 Ca 0.32 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.45 1z09 h LYS 75 Cb 0.07 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.28 1z09 h LYS 75 CO -0.10 0.00 0.90 0.54 -0.57 0.00 0.00 179.45 180.22 1z09 s ASN 76 N -5.18 -0.02 -0.02 0.86 2.20 -1.00 -5.02 114.94 106.76 1z09 s ASN 76 Ca 0.06 -0.13 -0.19 0.00 -0.94 0.00 0.00 52.86 51.66 1z09 s ASN 76 Cb 0.10 0.12 -0.05 0.00 -2.00 0.00 0.00 41.25 39.41 1z09 s ASN 76 CO 0.69 -0.23 0.55 -0.70 -2.94 0.00 0.00 177.10 174.46 1z09 s GLU 77 N -2.17 4.26 -0.17 3.55 2.56 0.17 -2.54 118.70 124.36 1z09 s GLU 77 Ca 0.21 0.64 -0.04 0.00 0.00 0.00 0.00 54.97 55.78 1z09 s GLU 77 Cb 0.03 -3.33 -0.03 0.00 2.00 0.00 0.00 34.13 32.80 1z09 s GLU 77 CO -0.03 0.40 -0.03 0.42 -0.56 0.00 0.00 175.26 175.46 1z09 s ILE 78 N -0.23 3.87 -0.18 -3.70 1.01 0.82 -3.25 121.20 119.53 1z09 s ILE 78 Ca 0.29 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1z09 s ILE 78 Cb -0.18 -2.71 0.07 0.00 0.01 0.00 0.00 42.46 39.65 1z09 s ILE 78 CO 0.15 0.47 0.40 -0.32 0.00 0.00 0.00 174.94 175.65 1z09 s MET 79 N 0.60 0.34 -0.24 2.79 1.75 -1.10 0.17 119.30 123.61 1z09 s MET 79 Ca -0.02 0.91 -0.01 0.00 -1.25 0.00 0.00 55.69 55.31 1z09 s MET 79 Cb -0.14 0.15 0.07 0.00 2.84 0.00 0.00 34.83 37.75 1z09 s MET 79 CO 0.02 -0.21 0.03 0.08 -0.65 0.00 0.00 175.02 174.29 1z09 s VAL 80 N 2.05 0.96 -0.40 10.11 1.01 -1.21 0.90 120.40 133.81 1z09 s VAL 80 Ca -0.05 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 1z09 s VAL 80 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1z09 s VAL 80 CO -0.12 -0.31 0.60 0.00 0.00 0.00 0.00 175.10 175.27 1z09 s ALA 81 N 1.63 3.40 -0.23 5.51 0.00 -1.15 -3.95 121.76 126.98 1z09 s ALA 81 Ca 0.01 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 1z09 s ALA 81 Cb -0.18 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1z09 s ALA 81 CO -0.12 -1.57 0.76 -1.25 0.00 0.00 0.00 175.76 173.58 1z09 s PRO 82 N 2.67 4.19 0.18 0.00 0.04 -1.26 -3.91 135.00 136.91 1z09 s PRO 82 Ca 0.22 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1z09 s PRO 82 Cb -0.15 -3.63 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 1z09 s PRO 82 CO 0.17 -0.43 0.35 0.16 0.04 0.00 0.00 177.00 177.28 1z09 s ASP 83 N 1.33 -0.02 0.00 6.66 1.47 -1.22 -4.84 116.67 120.04 1z09 s ASP 83 Ca 0.33 -0.84 0.00 0.00 1.18 0.00 0.00 52.55 53.22 1z09 s ASP 83 Cb -0.16 0.48 0.00 0.00 -0.34 0.00 0.00 42.92 42.90 1z09 s ASP 83 CO 0.09 -0.96 0.00 0.29 0.68 0.00 0.00 175.17 175.27 1z09 n LYS 84 N -0.26 0.00 0.00 2.11 4.76 -1.26 -2.03 118.16 121.48 1z09 n LYS 84 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1z09 n LYS 84 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1z09 n LYS 84 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1z09 n ASP 85 N 1.40 0.01 -4.70 4.39 8.00 -1.26 -5.08 116.55 119.32 1z09 n ASP 85 Ca 0.00 -0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.08 1z09 n ASP 85 Cb 0.00 0.10 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 1z09 n ASP 85 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1z09 s TYR 86 N -0.10 2.32 -0.28 1.24 1.51 -0.86 -2.62 117.35 118.56 1z09 s TYR 86 Ca 0.00 0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1z09 s TYR 86 Cb 0.00 -3.34 0.13 0.00 -0.11 0.00 0.00 41.96 38.64 1z09 s TYR 86 CO 0.00 -1.74 0.58 -0.06 -1.11 0.00 0.00 175.55 173.23 1z09 s PHE 87 N -3.35 -1.26 0.07 2.71 0.08 0.72 -3.41 117.98 113.54 1z09 s PHE 87 Ca 0.64 2.00 0.01 0.00 0.12 0.00 0.00 56.93 59.71 1z09 s PHE 87 Cb -0.08 0.63 -0.03 0.00 -0.57 0.00 0.00 43.02 42.97 1z09 s PHE 87 CO 0.46 -0.67 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.37 1z09 s LEU 88 N 2.82 2.41 -0.20 -0.37 2.34 -1.25 -0.92 118.68 123.50 1z09 s LEU 88 Ca 0.00 -0.82 -0.04 0.00 0.06 0.00 0.00 54.13 53.33 1z09 s LEU 88 Cb -0.13 -0.05 -0.02 0.00 -0.56 0.00 0.00 46.19 45.44 1z09 s LEU 88 CO -0.18 -0.39 -0.02 -0.63 -1.06 0.00 0.00 176.35 174.07 1z09 s ILE 89 N -2.79 3.75 -0.01 1.48 1.01 -0.77 -2.91 121.20 120.97 1z09 s ILE 89 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1z09 s ILE 89 Cb -0.00 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1z09 s ILE 89 CO -0.04 0.43 0.10 -0.69 0.00 0.00 0.00 174.94 174.74 1z09 s VAL 90 N 1.08 4.85 -0.05 2.92 1.01 0.26 -1.89 120.40 128.58 1z09 s VAL 90 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1z09 s VAL 90 Cb -0.14 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.04 1z09 s VAL 90 CO 0.01 0.35 0.02 -0.63 0.00 0.00 0.00 175.10 174.84 1z09 s ILE 91 N -1.21 0.20 0.05 2.22 1.09 -0.77 -2.72 121.20 120.05 1z09 s ILE 91 Ca 0.23 0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.97 1z09 s ILE 91 Cb -0.12 -0.36 0.00 0.00 -1.06 0.00 0.00 42.46 40.92 1z09 s ILE 91 CO 0.15 0.21 0.08 0.00 -0.10 0.00 0.00 174.94 175.27 1z09 n GLN 92 N 4.92 0.11 -3.61 2.79 10.64 -1.20 0.11 117.38 131.14 1z09 n GLN 92 Ca -0.11 -0.31 -0.04 0.00 -1.83 0.00 0.00 57.00 54.71 1z09 n GLN 92 Cb 0.50 0.33 -0.03 0.00 -0.86 0.00 0.00 30.24 30.19 1z09 n GLN 92 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1z09 s ASN 93 N -1.26 -0.12 0.03 2.61 2.47 -0.97 0.42 114.94 118.13 1z09 s ASN 93 Ca 0.03 0.04 -0.20 0.00 0.42 0.00 0.00 52.86 53.14 1z09 s ASN 93 Cb -0.00 0.12 -0.15 0.00 -1.45 0.00 0.00 41.25 39.76 1z09 s ASN 93 CO 0.02 -0.18 1.32 1.55 -3.72 0.00 0.00 177.10 176.09 1z09 h PRO 94 N 2.05 0.35 -6.14 0.43 0.13 -1.96 -3.37 132.00 123.49 1z09 h PRO 94 Ca -0.08 -0.20 -0.40 0.00 -0.87 0.00 0.00 66.00 64.44 1z09 h PRO 94 Cb 1.16 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.40 1z09 h PRO 94 CO 0.23 0.77 -0.91 2.41 -0.23 0.00 0.00 178.00 180.26 1z09 n THR 95 N -4.54 -6.25 1.98 1.56 -1.04 -1.26 -4.88 114.28 99.85 1z09 n THR 95 Ca -0.06 -0.96 0.16 0.00 -2.04 0.00 0.00 64.05 61.15 1z09 n THR 95 Cb 0.38 -4.60 0.93 0.00 -1.82 0.00 0.00 70.33 65.23 1z09 n THR 95 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59