#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 0.92 -0.31 -5.12 0.00 -2.02 -2.21 119.26 110.52 1z09 h ALA 2 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1z09 h ALA 2 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1z09 h ALA 2 CO 0.00 0.66 -0.02 0.93 0.00 0.00 0.00 179.25 180.82 1z09 h GLU 3 N 0.99 0.48 -0.70 0.00 5.08 -2.05 -2.09 114.58 116.29 1z09 h GLU 3 Ca 0.19 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1z09 h GLU 3 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1z09 h GLU 3 CO 0.02 0.52 0.37 0.28 -1.00 0.00 0.00 179.01 179.20 1z09 h VAL 4 N 0.46 1.22 -0.54 3.13 2.07 -1.84 -0.14 116.25 120.60 1z09 h VAL 4 Ca 0.10 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1z09 h VAL 4 Cb 0.33 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1z09 h VAL 4 CO 0.01 0.24 0.03 -0.33 0.02 0.00 0.00 177.57 177.54 1z09 h GLU 5 N 0.96 0.90 -0.39 1.57 5.08 -1.05 0.37 114.58 122.02 1z09 h GLU 5 Ca 0.24 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1z09 h GLU 5 Cb 0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1z09 h GLU 5 CO -0.04 0.88 0.14 0.93 -1.00 0.00 0.00 179.01 179.92 1z09 h GLU 6 N 0.84 0.59 0.29 2.33 4.39 -0.82 -0.24 114.58 121.97 1z09 h GLU 6 Ca 0.16 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1z09 h GLU 6 Cb 0.46 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1z09 h GLU 6 CO 0.02 0.58 -0.14 1.15 -1.16 0.00 0.00 179.01 179.45 1z09 h THR 7 N 0.49 0.73 -0.74 1.13 2.02 -0.60 -3.10 112.91 112.83 1z09 h THR 7 Ca 0.13 -0.58 0.09 0.00 0.77 0.00 0.00 66.41 66.82 1z09 h THR 7 Cb 0.21 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1z09 h THR 7 CO -0.01 0.11 0.49 0.17 0.37 0.00 0.00 175.52 176.65 1z09 h LEU 8 N -0.72 0.61 -1.40 2.58 8.10 -0.22 -0.24 115.31 124.02 1z09 h LEU 8 Ca -0.04 0.01 0.06 0.00 0.11 0.00 0.00 57.88 58.02 1z09 h LEU 8 Cb 0.49 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.55 1z09 h LEU 8 CO 0.07 0.37 0.46 0.50 -4.11 0.00 0.00 178.44 175.73 1z09 h LYS 9 N 0.68 0.71 0.00 0.17 3.64 -0.96 0.33 116.57 121.13 1z09 h LYS 9 Ca 0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1z09 h LYS 9 Cb 0.41 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1z09 h LYS 9 CO -0.12 0.47 0.00 -0.09 -2.27 0.00 0.00 179.45 177.44 1z09 h ARG 10 N 0.73 0.00 0.00 1.90 9.65 -0.97 0.24 114.38 125.93 1z09 h ARG 10 Ca 0.30 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1z09 h ARG 10 Cb 0.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1z09 h ARG 10 CO -0.10 0.00 0.00 1.28 2.80 0.00 0.00 179.97 183.95 1z09 n LEU 11 N -2.96 0.26 -0.20 3.80 4.77 0.12 -3.22 117.00 119.57 1z09 n LEU 11 Ca -0.02 0.55 0.24 0.00 -0.03 0.00 0.00 56.01 56.76 1z09 n LEU 11 Cb 0.14 -0.50 0.63 0.00 -2.33 0.00 0.00 43.42 41.35 1z09 n LEU 11 CO 0.21 -0.29 1.24 0.06 -1.33 0.00 0.00 177.39 177.28 1z09 h GLN 12 N 0.00 0.17 -5.21 3.23 3.07 -1.02 -3.47 115.11 111.89 1z09 h GLN 12 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.74 1z09 h GLN 12 Cb 0.37 -0.04 -0.10 0.00 0.08 0.00 0.00 27.48 27.79 1z09 h GLN 12 CO 0.00 0.11 -1.24 0.43 0.09 0.00 0.00 178.83 178.22 1z09 n SER 13 N -4.38 -2.25 0.23 0.06 7.64 -1.20 -4.82 113.62 108.90 1z09 n SER 13 Ca 0.19 1.30 0.15 0.00 1.01 0.00 0.00 58.87 61.52 1z09 n SER 13 Cb 0.84 -4.49 0.51 0.00 -1.01 0.00 0.00 64.21 60.06 1z09 n SER 13 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1z09 h GLN 14 N 4.34 0.00 -5.64 1.43 -0.00 -1.91 -3.36 115.11 109.97 1z09 h GLN 14 Ca -0.43 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 57.70 1z09 h GLN 14 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.43 1z09 h GLN 14 CO 0.01 0.00 1.59 1.17 -0.00 0.00 0.00 178.83 181.60 1z09 n LYS 15 N -2.92 1.02 -3.45 0.06 4.81 -1.26 -2.61 118.16 113.80 1z09 n LYS 15 Ca 0.02 0.13 -0.23 0.00 -0.87 0.00 0.00 58.31 57.37 1z09 n LYS 15 Cb 0.36 -2.91 -0.02 0.00 0.02 0.00 0.00 35.03 32.48 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 6.16 -0.47 3.71 3.14 0.00 -1.25 -3.73 105.19 112.75 1z09 n GLY 16 Ca 0.42 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1z09 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z09 s VAL 17 N -2.80 2.36 -0.06 1.61 0.11 -1.07 -1.99 120.40 118.56 1z09 s VAL 17 Ca 0.41 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1z09 s VAL 17 Cb -0.23 -3.10 -0.25 0.00 -1.53 0.00 0.00 36.38 31.27 1z09 s VAL 17 CO 0.51 0.01 0.61 1.56 -3.33 0.00 0.00 175.10 174.46 1z09 h GLN 18 N 7.39 0.16 -1.27 1.54 4.20 -0.49 -3.47 115.11 123.16 1z09 h GLN 18 Ca -0.44 -0.27 0.14 0.00 0.06 0.00 0.00 58.65 58.15 1z09 h GLN 18 Cb 1.21 0.10 -0.31 0.00 0.30 0.00 0.00 27.48 28.78 1z09 h GLN 18 CO 0.94 0.91 0.72 0.20 -0.67 0.00 0.00 178.83 180.94 1z09 s GLY 19 N -5.24 0.17 -0.12 3.46 0.00 -0.71 -4.89 107.32 99.99 1z09 s GLY 19 Ca -0.12 3.22 0.02 0.00 0.00 0.00 0.00 44.72 47.84 1z09 s GLY 19 CO 0.81 1.91 -0.18 -0.42 0.00 0.00 0.00 173.10 175.22 1z09 s ILE 20 N 0.11 2.60 -0.17 0.90 1.01 -1.26 0.10 121.20 124.49 1z09 s ILE 20 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1z09 s ILE 20 Cb -0.05 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.40 1z09 s ILE 20 CO -0.12 0.54 -0.10 -0.63 0.00 0.00 0.00 174.94 174.63 1z09 s ILE 21 N 0.39 1.42 -0.14 2.92 1.01 -0.85 -1.98 121.20 123.97 1z09 s ILE 21 Ca -0.14 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 1z09 s ILE 21 Cb -0.17 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1z09 s ILE 21 CO 0.07 0.26 0.62 -0.69 0.00 0.00 0.00 174.94 175.19 1z09 s VAL 22 N 1.51 5.07 0.03 2.92 1.01 0.22 -2.14 120.40 129.02 1z09 s VAL 22 Ca 0.02 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.24 1z09 s VAL 22 Cb -0.15 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1z09 s VAL 22 CO -0.09 0.20 -0.09 -0.69 0.00 0.00 0.00 175.10 174.43 1z09 s VAL 23 N 1.27 0.71 0.84 2.92 1.01 0.14 0.51 120.40 127.80 1z09 s VAL 23 Ca 0.31 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1z09 s VAL 23 Cb -0.16 -0.69 0.17 0.00 0.00 0.00 0.00 36.38 35.70 1z09 s VAL 23 CO 0.13 -0.12 1.15 0.54 0.00 0.00 0.00 175.10 176.79 1z09 s ASN 24 N -1.07 3.71 0.42 3.32 2.20 -0.90 0.13 114.94 122.75 1z09 s ASN 24 Ca -0.03 -0.15 0.11 0.00 -0.94 0.00 0.00 52.86 51.85 1z09 s ASN 24 Cb -0.07 -0.03 0.95 0.00 -2.00 0.00 0.00 41.25 40.09 1z09 s ASN 24 CO 0.01 -2.31 2.01 0.00 -2.94 0.00 0.00 177.10 173.86 1z09 h THR 25 N -1.06 0.98 -0.00 0.54 1.03 -1.81 -1.41 112.91 111.18 1z09 h THR 25 Ca -0.39 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1z09 h THR 25 Cb 1.25 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1z09 h THR 25 CO 0.37 0.09 0.00 -1.84 -0.01 0.00 0.00 175.52 174.13 1z09 n GLU 26 N -4.47 1.03 0.00 0.00 0.28 -1.26 -4.90 120.64 111.32 1z09 n GLU 26 Ca 0.07 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1z09 n GLU 26 Cb 0.25 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1z09 n GLU 26 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1z09 n GLY 27 N 0.93 1.55 3.69 -1.84 0.00 -0.53 -5.04 105.19 103.94 1z09 n GLY 27 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.37 4.47 -0.31 -0.61 1.01 -1.26 -4.66 121.20 117.47 1z09 s ILE 28 Ca 0.00 1.77 -0.28 0.00 0.00 0.00 0.00 60.65 62.14 1z09 s ILE 28 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1z09 s ILE 28 CO 0.00 -0.01 1.76 -2.16 0.00 0.00 0.00 174.94 174.53 1z09 s PRO 29 N 2.21 3.42 0.30 2.79 0.04 -1.26 -2.11 135.00 140.40 1z09 s PRO 29 Ca 0.53 1.46 0.25 0.00 0.04 0.00 0.00 61.00 63.28 1z09 s PRO 29 Cb -0.22 -4.17 1.04 0.00 0.04 0.00 0.00 34.50 31.19 1z09 s PRO 29 CO 0.20 -1.75 1.76 0.82 0.04 0.00 0.00 177.00 178.06 1z09 h ILE 30 N 6.70 0.00 -1.94 0.56 5.03 -0.26 -3.46 117.51 124.14 1z09 h ILE 30 Ca -0.34 -0.29 0.18 0.00 -0.12 0.00 0.00 64.86 64.29 1z09 h ILE 30 Cb 1.16 1.08 -0.16 0.00 -3.03 0.00 0.00 36.82 35.87 1z09 h ILE 30 CO 1.03 0.00 0.63 -0.75 -0.68 0.00 0.00 178.15 178.38 1z09 s LYS 31 N -3.36 0.63 -0.29 2.37 2.47 -0.98 -4.97 119.74 115.60 1z09 s LYS 31 Ca 0.04 -0.25 -0.24 0.00 -1.56 0.00 0.00 55.97 53.97 1z09 s LYS 31 Cb 0.09 0.28 0.15 0.00 -1.46 0.00 0.00 37.83 36.89 1z09 s LYS 31 CO 0.43 -0.28 1.15 0.45 0.16 0.00 0.00 175.35 177.26 1z09 s SER 32 N -2.41 -0.34 -0.11 1.43 0.15 -1.26 0.72 113.70 111.88 1z09 s SER 32 Ca 0.07 0.63 0.15 0.00 0.70 0.00 0.00 55.95 57.51 1z09 s SER 32 Cb -0.01 0.70 0.63 0.00 -1.71 0.00 0.00 66.02 65.64 1z09 s SER 32 CO -0.06 -0.11 1.52 1.07 1.20 0.00 0.00 173.24 176.85 1z09 n THR 33 N 2.21 1.66 -2.22 6.45 5.66 -0.84 -4.94 114.28 122.26 1z09 n THR 33 Ca -0.13 -1.03 -0.11 0.00 -3.05 0.00 0.00 64.05 59.73 1z09 n THR 33 Cb 0.56 0.02 0.06 0.00 -1.55 0.00 0.00 70.33 69.43 1z09 n THR 33 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1z09 n MET 34 N 0.90 0.12 0.05 1.09 2.81 -1.26 -4.80 117.12 116.04 1z09 n MET 34 Ca 0.22 -1.18 -0.02 0.00 -1.81 0.00 0.00 57.70 54.92 1z09 n MET 34 Cb 0.82 -0.36 -0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1z09 n MET 34 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1z09 h ASP 35 N -0.37 -0.12 0.00 7.83 3.32 -1.94 -3.48 116.42 121.66 1z09 h ASP 35 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1z09 h ASP 35 Cb 0.55 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1z09 h ASP 35 CO 0.16 -0.08 0.00 -3.20 -1.72 0.00 0.00 179.24 174.40 1z09 n ASN 36 N -2.37 0.00 0.11 6.45 4.05 -1.26 -4.94 115.26 117.29 1z09 n ASN 36 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 1z09 n ASN 36 Cb 0.05 0.00 0.30 0.00 1.23 0.00 0.00 39.78 41.37 1z09 n ASN 36 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1z09 h PRO 37 N 0.00 0.24 -0.71 1.20 0.13 -2.01 -2.09 132.00 128.76 1z09 h PRO 37 Ca 0.00 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1z09 h PRO 37 Cb 0.00 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.08 1z09 h PRO 37 CO 0.00 0.50 0.24 1.15 -0.23 0.00 0.00 178.00 179.66 1z09 h THR 38 N 0.21 1.26 -0.56 1.56 2.02 -1.96 -0.54 112.91 114.90 1z09 h THR 38 Ca 0.03 -0.86 0.09 0.00 0.77 0.00 0.00 66.41 66.44 1z09 h THR 38 Cb 0.61 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 1z09 h THR 38 CO 0.04 0.34 0.18 0.74 0.37 0.00 0.00 175.52 177.20 1z09 h THR 39 N 1.04 0.77 0.16 3.16 2.02 -1.75 -2.61 112.91 115.70 1z09 h THR 39 Ca 0.23 -0.12 -0.34 0.00 0.77 0.00 0.00 66.41 66.95 1z09 h THR 39 Cb 0.28 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1z09 h THR 39 CO -0.01 0.06 -1.72 0.74 0.37 0.00 0.00 175.52 174.96 1z09 h THR 40 N 0.35 0.96 -0.76 3.16 2.02 -1.43 -2.26 112.91 114.95 1z09 h THR 40 Ca 0.28 -2.57 0.06 0.00 0.77 0.00 0.00 66.41 64.95 1z09 h THR 40 Cb 0.35 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 69.43 1z09 h THR 40 CO -0.30 0.84 0.45 0.06 0.37 0.00 0.00 175.52 176.94 1z09 h GLN 41 N 0.09 0.80 0.20 6.66 3.07 -1.02 -1.10 115.11 123.80 1z09 h GLN 41 Ca -0.33 -0.05 -0.35 0.00 0.09 0.00 0.00 58.65 58.02 1z09 h GLN 41 Cb 2.07 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 29.47 1z09 h GLN 41 CO 0.16 0.53 -1.70 1.88 0.09 0.00 0.00 178.83 179.79 1z09 h TYR 42 N 0.82 0.76 -0.28 0.06 0.05 -1.62 -3.18 116.97 113.58 1z09 h TYR 42 Ca 0.34 -0.55 0.07 0.00 0.05 0.00 0.00 58.73 58.63 1z09 h TYR 42 Cb 0.19 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 1z09 h TYR 42 CO -0.06 1.65 -0.19 0.00 -1.05 0.00 0.00 178.16 178.51 1z09 h ALA 43 N 0.14 -0.01 -0.53 3.88 0.00 -1.15 0.75 119.26 122.34 1z09 h ALA 43 Ca -0.33 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1z09 h ALA 43 Cb 2.11 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 20.31 1z09 h ALA 43 CO 0.19 -0.60 0.26 0.77 0.00 0.00 0.00 179.25 179.87 1z09 h SER 44 N -0.17 0.68 -0.34 0.00 0.02 -1.35 0.26 113.55 112.64 1z09 h SER 44 Ca 0.15 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1z09 h SER 44 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1z09 h SER 44 CO -0.38 0.61 0.03 0.25 -1.14 0.00 0.00 176.83 176.20 1z09 h LEU 45 N 0.71 0.56 -0.61 5.07 6.46 -1.29 -2.69 115.31 123.53 1z09 h LEU 45 Ca 0.18 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 1z09 h LEU 45 Cb 0.11 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1z09 h LEU 45 CO -0.02 0.70 0.12 0.24 -0.62 0.00 0.00 178.44 178.86 1z09 h MET 46 N 0.40 0.98 0.38 1.25 2.86 0.68 -2.67 114.93 118.83 1z09 h MET 46 Ca 0.10 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1z09 h MET 46 Cb 0.39 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1z09 h MET 46 CO 0.01 0.91 -0.47 1.25 1.06 0.00 0.00 176.91 179.67 1z09 h HIS 47 N 0.89 -1.33 -0.28 -0.22 -0.00 -0.34 0.12 115.15 114.00 1z09 h HIS 47 Ca 0.19 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.64 1z09 h HIS 47 Cb 0.39 0.53 -0.07 0.00 -0.00 0.00 0.00 27.41 28.25 1z09 h HIS 47 CO 0.03 -0.61 -0.22 1.03 -0.00 0.00 0.00 177.93 178.16 1z09 h SER 48 N -0.88 -0.73 -0.10 3.26 0.87 -1.48 -2.07 113.55 112.43 1z09 h SER 48 Ca -0.05 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1z09 h SER 48 Cb 0.78 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1z09 h SER 48 CO -0.11 -0.26 0.03 0.15 -0.53 0.00 0.00 176.83 176.12 1z09 h PHE 49 N -0.21 0.06 -0.55 2.24 3.04 -1.25 -2.38 116.94 117.89 1z09 h PHE 49 Ca 0.15 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.17 1z09 h PHE 49 Cb 0.44 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.88 1z09 h PHE 49 CO -0.40 0.03 0.24 0.82 -2.02 0.00 0.00 178.31 176.99 1z09 h ILE 50 N 0.08 0.87 -0.73 1.41 2.04 -0.44 0.59 117.51 121.33 1z09 h ILE 50 Ca 0.04 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.83 1z09 h ILE 50 Cb 0.02 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1z09 h ILE 50 CO -0.04 0.08 0.48 -0.07 0.00 0.00 0.00 178.15 178.60 1z09 h LEU 51 N 0.46 0.61 -0.30 1.44 3.38 -1.15 -1.88 115.31 117.87 1z09 h LEU 51 Ca 0.26 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1z09 h LEU 51 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1z09 h LEU 51 CO -0.22 0.38 0.18 0.50 0.09 0.00 0.00 178.44 179.36 1z09 h LYS 52 N 0.68 0.41 0.20 1.13 1.63 -0.37 -0.44 116.57 119.81 1z09 h LYS 52 Ca 0.33 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1z09 h LYS 52 Cb 0.39 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1z09 h LYS 52 CO -0.11 0.33 -0.14 0.00 -3.45 0.00 0.00 179.45 176.07 1z09 h ALA 53 N 1.06 -0.32 -0.83 5.00 0.00 -0.94 0.41 119.26 123.63 1z09 h ALA 53 Ca 0.11 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1z09 h ALA 53 Cb 0.03 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1z09 h ALA 53 CO -0.02 -0.69 0.43 -0.09 0.00 0.00 0.00 179.25 178.88 1z09 h ARG 54 N -0.34 0.63 0.78 0.00 2.43 -1.29 1.21 114.38 117.79 1z09 h ARG 54 Ca -0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1z09 h ARG 54 Cb 0.30 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1z09 h ARG 54 CO -0.00 0.41 -0.37 1.03 -1.51 0.00 0.00 179.97 179.53 1z09 h SER 55 N 0.64 -0.89 -0.70 -3.80 0.87 -0.16 0.19 113.55 109.71 1z09 h SER 55 Ca 0.44 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 61.08 1z09 h SER 55 Cb 0.58 0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 1z09 h SER 55 CO -0.34 -0.61 0.41 0.00 -0.53 0.00 0.00 176.83 175.76 1z09 h THR 56 N -1.09 1.01 -0.75 2.23 1.03 0.33 -1.22 112.91 114.47 1z09 h THR 56 Ca -0.11 -0.26 0.05 0.00 -0.01 0.00 0.00 66.41 66.08 1z09 h THR 56 Cb 0.80 0.18 -0.05 0.00 -1.07 0.00 0.00 68.15 68.01 1z09 h THR 56 CO 0.18 0.14 0.46 0.58 -0.01 0.00 0.00 175.52 176.86 1z09 h VAL 57 N 0.77 1.05 0.00 0.00 2.07 0.16 -2.12 116.25 118.17 1z09 h VAL 57 Ca 0.30 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1z09 h VAL 57 Cb 0.14 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1z09 h VAL 57 CO -0.16 0.16 -0.19 -0.09 0.02 0.00 0.00 177.57 177.31 1z09 h ARG 58 N 0.86 0.00 -0.74 1.57 1.12 0.20 -3.22 114.38 114.18 1z09 h ARG 58 Ca 0.32 0.00 0.11 0.00 -1.11 0.00 0.00 59.98 59.29 1z09 h ARG 58 Cb 0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.01 1z09 h ARG 58 CO -0.14 0.19 0.49 0.22 -3.11 0.00 0.00 179.97 177.61 1z09 h ASP 59 N 0.00 0.54 0.09 -3.80 3.58 -0.54 -0.12 116.42 116.17 1z09 h ASP 59 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1z09 h ASP 59 Cb 0.89 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1z09 h ASP 59 CO 0.02 0.31 0.00 -0.38 -2.88 0.00 0.00 179.24 176.32 1z09 n ILE 60 N -4.50 0.05 -3.35 2.25 2.08 -1.22 -4.87 119.36 109.80 1z09 n ILE 60 Ca 0.13 0.01 -0.03 0.00 0.56 0.00 0.00 62.75 63.42 1z09 n ILE 60 Cb 0.38 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.64 1z09 n ILE 60 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1z09 n ASP 61 N -1.06 -0.55 -0.33 4.38 9.92 -0.06 -5.00 116.55 123.85 1z09 n ASP 61 Ca 0.17 -1.46 -0.03 0.00 -0.53 0.00 0.00 54.79 52.94 1z09 n ASP 61 Cb 0.10 0.94 0.09 0.00 -0.64 0.00 0.00 41.12 41.61 1z09 n ASP 61 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1z09 h PRO 62 N 0.00 1.18 0.00 -0.24 0.13 -1.90 -3.45 132.00 127.72 1z09 h PRO 62 Ca -0.09 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1z09 h PRO 62 Cb 0.33 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1z09 h PRO 62 CO 0.11 0.79 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1z09 n GLN 63 N -4.45 0.00 -1.80 0.86 10.64 -1.26 -4.89 117.38 116.48 1z09 n GLN 63 Ca 0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1z09 n GLN 63 Cb 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.40 1z09 n GLN 63 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1z09 n ASN 64 N 0.00 1.72 -3.58 2.61 3.02 -1.26 -4.96 115.26 112.81 1z09 n ASN 64 Ca 0.00 -0.97 -0.14 0.00 -0.03 0.00 0.00 54.58 53.44 1z09 n ASN 64 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1z09 n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1z09 s ASP 65 N -0.94 -0.61 -0.03 6.41 2.15 -1.26 -4.66 116.67 117.72 1z09 s ASP 65 Ca 0.00 0.91 -0.30 0.00 0.43 0.00 0.00 52.55 53.59 1z09 s ASP 65 Cb 0.00 0.83 -0.05 0.00 -0.30 0.00 0.00 42.92 43.40 1z09 s ASP 65 CO 0.00 -0.40 1.47 -0.22 -0.17 0.00 0.00 175.17 175.86 1z09 s LEU 66 N -0.51 4.30 0.04 -1.34 2.96 -1.26 -4.88 118.68 117.99 1z09 s LEU 66 Ca -0.04 2.12 0.18 0.00 -0.22 0.00 0.00 54.13 56.17 1z09 s LEU 66 Cb -0.02 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.96 1z09 s LEU 66 CO 0.04 -0.79 0.73 0.41 -1.32 0.00 0.00 176.35 175.41 1z09 n THR 67 N 4.98 1.02 -3.63 3.68 -1.04 -1.26 -4.65 114.28 113.38 1z09 n THR 67 Ca 0.15 -0.67 -0.04 0.00 -2.04 0.00 0.00 64.05 61.44 1z09 n THR 67 Cb 0.43 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 68.30 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 -2.99 -0.11 0.10 -1.42 5.36 -1.26 -4.90 117.98 112.75 1z09 s PHE 68 Ca -0.04 0.23 -0.14 0.00 -0.96 0.00 0.00 56.93 56.02 1z09 s PHE 68 Cb 0.09 0.48 0.02 0.00 -0.34 0.00 0.00 43.02 43.27 1z09 s PHE 68 CO 0.82 -0.09 0.33 -1.17 -1.46 0.00 0.00 175.22 173.65 1z09 s LEU 69 N -0.66 0.75 -0.29 6.12 2.96 -0.55 -4.98 118.68 122.03 1z09 s LEU 69 Ca 0.07 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1z09 s LEU 69 Cb -0.02 1.54 0.18 0.00 0.50 0.00 0.00 46.19 48.39 1z09 s LEU 69 CO -0.09 -0.77 0.56 -0.13 -1.32 0.00 0.00 176.35 174.60 1z09 s ARG 70 N -3.53 0.53 -0.11 1.98 3.00 -1.26 -1.54 118.95 118.03 1z09 s ARG 70 Ca 0.02 0.86 -0.17 0.00 0.00 0.00 0.00 55.73 56.43 1z09 s ARG 70 Cb 0.02 0.32 -0.04 0.00 0.00 0.00 0.00 34.95 35.25 1z09 s ARG 70 CO -0.10 -0.68 0.45 0.42 0.00 0.00 0.00 175.30 175.39 1z09 s ILE 71 N 2.79 5.19 0.31 1.52 1.01 0.22 -4.91 121.20 127.34 1z09 s ILE 71 Ca 0.18 0.89 -0.23 0.00 0.00 0.00 0.00 60.65 61.49 1z09 s ILE 71 Cb -0.15 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 1z09 s ILE 71 CO -0.21 0.36 0.88 -0.60 0.00 0.00 0.00 174.94 175.37 1z09 s ARG 72 N 0.46 4.43 -0.01 2.79 6.06 -1.26 -1.82 118.95 129.59 1z09 s ARG 72 Ca 0.25 1.15 -0.14 0.00 -2.50 0.00 0.00 55.73 54.48 1z09 s ARG 72 Cb -0.15 -2.73 0.02 0.00 0.06 0.00 0.00 34.95 32.15 1z09 s ARG 72 CO 0.10 0.27 0.30 -1.12 -2.50 0.00 0.00 175.30 172.34 1z09 s SER 73 N -1.73 -0.17 0.00 -2.12 0.01 -1.21 -4.95 113.70 103.54 1z09 s SER 73 Ca 0.50 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1z09 s SER 73 Cb -0.16 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1z09 s SER 73 CO 0.21 -0.46 0.16 0.29 0.41 0.00 0.00 173.24 173.85 1z09 n LYS 74 N 1.20 0.32 0.00 12.44 4.01 -1.26 -3.17 118.16 131.70 1z09 n LYS 74 Ca -0.21 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1z09 n LYS 74 Cb 0.56 -1.16 0.00 0.00 -0.51 0.00 0.00 35.03 33.92 1z09 n LYS 74 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1z09 n LYS 75 N 0.36 1.76 -3.65 1.97 5.02 -1.26 -5.15 118.16 117.21 1z09 n LYS 75 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1z09 n LYS 75 Cb 0.08 -0.39 -0.00 0.00 -0.02 0.00 0.00 35.03 34.70 1z09 n LYS 75 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1z09 s ASN 76 N -0.62 -0.03 0.00 4.39 2.20 -1.19 -5.01 114.94 114.68 1z09 s ASN 76 Ca 0.00 -0.09 -0.17 0.00 -0.94 0.00 0.00 52.86 51.65 1z09 s ASN 76 Cb 0.00 0.10 -0.06 0.00 -2.00 0.00 0.00 41.25 39.29 1z09 s ASN 76 CO 0.00 -0.19 0.49 -0.70 -2.94 0.00 0.00 177.10 173.76 1z09 s GLU 77 N -2.22 4.12 -0.36 3.55 2.12 -0.32 -3.29 118.70 122.30 1z09 s GLU 77 Ca 0.17 0.55 -0.09 0.00 0.36 0.00 0.00 54.97 55.96 1z09 s GLU 77 Cb 0.05 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 31.20 1z09 s GLU 77 CO -0.05 0.55 0.16 0.42 -0.54 0.00 0.00 175.26 175.81 1z09 s ILE 78 N -0.72 4.25 -0.12 -3.70 -1.09 -0.76 -3.31 121.20 115.76 1z09 s ILE 78 Ca 0.26 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.67 1z09 s ILE 78 Cb -0.17 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1z09 s ILE 78 CO 0.15 -0.20 0.08 -0.32 -1.23 0.00 0.00 174.94 173.42 1z09 s MET 79 N 1.49 3.36 -0.02 2.79 1.75 -1.20 -0.61 119.30 126.86 1z09 s MET 79 Ca 0.01 -0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.22 1z09 s MET 79 Cb -0.19 -3.05 -0.00 0.00 2.84 0.00 0.00 34.83 34.42 1z09 s MET 79 CO 0.05 0.68 -0.12 0.08 -0.65 0.00 0.00 175.02 175.06 1z09 s VAL 80 N -0.77 0.96 -0.45 10.11 1.01 -0.59 -2.22 120.40 128.46 1z09 s VAL 80 Ca 0.13 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1z09 s VAL 80 Cb -0.12 -0.83 0.18 0.00 0.00 0.00 0.00 36.38 35.61 1z09 s VAL 80 CO 0.03 0.29 0.56 0.00 0.00 0.00 0.00 175.10 175.97 1z09 s ALA 81 N -0.00 -0.99 -0.09 5.51 0.00 -1.11 -1.49 121.76 123.59 1z09 s ALA 81 Ca -0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1z09 s ALA 81 Cb -0.08 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 1z09 s ALA 81 CO 0.00 -2.16 1.06 -1.25 0.00 0.00 0.00 175.76 173.42 1z09 s PRO 82 N 0.92 4.40 0.04 0.00 0.04 -1.26 -3.37 135.00 135.77 1z09 s PRO 82 Ca 0.26 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1z09 s PRO 82 Cb -0.03 -3.54 0.05 0.00 0.04 0.00 0.00 34.50 31.02 1z09 s PRO 82 CO -0.08 -0.35 0.49 0.34 0.04 0.00 0.00 177.00 177.43 1z09 s ASP 83 N 1.20 -0.39 -0.56 6.66 2.15 0.46 -4.94 116.67 121.26 1z09 s ASP 83 Ca 0.51 0.13 -0.04 0.00 0.43 0.00 0.00 52.55 53.58 1z09 s ASP 83 Cb -0.20 0.47 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 1z09 s ASP 83 CO 0.19 -0.69 0.44 1.17 -0.17 0.00 0.00 175.17 176.11 1z09 n LYS 84 N 0.47 -1.16 -1.36 4.34 3.00 -1.26 -0.08 118.16 122.11 1z09 n LYS 84 Ca -0.18 0.60 -0.13 0.00 -0.00 0.00 0.00 58.31 58.60 1z09 n LYS 84 Cb 0.60 -1.57 -0.06 0.00 0.00 0.00 0.00 35.03 34.00 1z09 n LYS 84 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1z09 n ASP 85 N -1.49 -4.97 -3.62 3.14 2.03 -1.26 -4.91 116.55 105.47 1z09 n ASP 85 Ca -0.21 0.33 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 1z09 n ASP 85 Cb 0.50 -4.02 -0.06 0.00 -0.72 0.00 0.00 41.12 36.83 1z09 n ASP 85 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1z09 s TYR 86 N -2.11 -0.34 -0.08 -0.67 2.02 0.88 -2.43 117.35 114.62 1z09 s TYR 86 Ca 0.00 0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 56.90 1z09 s TYR 86 Cb 0.00 0.28 0.03 0.00 -0.40 0.00 0.00 41.96 41.87 1z09 s TYR 86 CO 0.00 -0.60 0.34 -0.59 -1.57 0.00 0.00 175.55 173.13 1z09 s PHE 87 N -2.46 -0.30 0.03 2.71 -0.12 0.34 0.17 117.98 118.35 1z09 s PHE 87 Ca -0.05 0.64 0.02 0.00 -0.05 0.00 0.00 56.93 57.49 1z09 s PHE 87 Cb -0.01 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 1z09 s PHE 87 CO -0.02 -0.29 -0.07 -0.48 -0.05 0.00 0.00 175.22 174.31 1z09 s LEU 88 N -0.54 2.18 -0.26 -1.99 2.34 -1.22 -0.69 118.68 118.50 1z09 s LEU 88 Ca -0.06 -0.41 -0.09 0.00 0.06 0.00 0.00 54.13 53.62 1z09 s LEU 88 Cb -0.04 -0.20 -0.04 0.00 -0.56 0.00 0.00 46.19 45.35 1z09 s LEU 88 CO 0.02 -0.12 0.12 -0.63 -1.06 0.00 0.00 176.35 174.69 1z09 s ILE 89 N -0.99 4.77 -0.48 1.48 -1.09 -0.91 -2.75 121.20 121.23 1z09 s ILE 89 Ca -0.06 -0.02 -0.14 0.00 -2.23 0.00 0.00 60.65 58.20 1z09 s ILE 89 Cb -0.08 -3.25 0.09 0.00 -1.58 0.00 0.00 42.46 37.64 1z09 s ILE 89 CO 0.00 0.30 0.39 -0.69 -1.23 0.00 0.00 174.94 173.71 1z09 s VAL 90 N 1.67 5.04 -0.28 2.92 1.01 -0.94 -2.00 120.40 127.82 1z09 s VAL 90 Ca 0.07 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.57 1z09 s VAL 90 Cb -0.15 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1z09 s VAL 90 CO 0.07 -0.63 0.91 -0.63 0.00 0.00 0.00 175.10 174.83 1z09 s ILE 91 N 1.59 4.72 0.22 2.22 1.09 0.11 -3.25 121.20 127.90 1z09 s ILE 91 Ca 0.04 1.58 -0.12 0.00 -1.10 0.00 0.00 60.65 61.04 1z09 s ILE 91 Cb -0.25 -4.23 -0.00 0.00 -1.06 0.00 0.00 42.46 36.92 1z09 s ILE 91 CO 0.05 -0.24 0.42 0.00 -0.10 0.00 0.00 174.94 175.07 1z09 s GLN 92 N 3.13 1.41 -0.29 2.79 -2.07 -1.21 0.27 119.66 123.70 1z09 s GLN 92 Ca 0.38 -1.18 -0.28 0.00 -1.82 0.00 0.00 55.36 52.46 1z09 s GLN 92 Cb -0.14 0.45 0.19 0.00 -1.09 0.00 0.00 33.01 32.42 1z09 s GLN 92 CO 0.11 -0.57 1.37 1.21 -1.32 0.00 0.00 175.29 176.09 1z09 s ASN 93 N -2.99 -0.06 -0.01 12.60 2.47 -0.84 -1.17 114.94 124.94 1z09 s ASN 93 Ca 0.20 0.08 -0.06 0.00 0.42 0.00 0.00 52.86 53.50 1z09 s ASN 93 Cb 0.01 0.08 -0.04 0.00 -1.45 0.00 0.00 41.25 39.85 1z09 s ASN 93 CO 0.05 -0.04 0.57 1.55 -3.72 0.00 0.00 177.10 175.51 1z09 h PRO 94 N 2.48 -0.22 0.00 0.43 0.13 -1.82 -3.33 132.00 129.67 1z09 h PRO 94 Ca -0.15 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1z09 h PRO 94 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1z09 h PRO 94 CO 0.21 -0.15 -0.03 -2.37 -0.23 0.00 0.00 178.00 175.43 1z09 n THR 95 N -3.14 0.00 -1.92 1.56 5.66 -1.26 -4.70 114.28 110.48 1z09 n THR 95 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1z09 n THR 95 Cb 0.09 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1z09 n THR 95 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23