#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi9 s ASP 2 N 0.00 6.31 0.20 1.61 -1.08 -1.26 -4.74 116.67 117.71 1fi9 s ASP 2 Ca 0.00 1.81 -0.09 0.00 -0.52 0.00 0.00 52.55 53.75 1fi9 s ASP 2 Cb 0.00 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 39.04 1fi9 s ASP 2 CO 0.00 -1.29 1.72 0.58 0.52 0.00 0.00 175.17 176.70 1fi9 h VAL 3 N 6.16 1.26 0.69 1.11 2.07 -1.85 0.24 116.25 125.92 1fi9 h VAL 3 Ca -0.36 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1fi9 h VAL 3 Cb 1.17 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1fi9 h VAL 3 CO 0.99 0.36 -0.33 -0.33 0.02 0.00 0.00 177.57 178.28 1fi9 h GLU 4 N 1.05 -0.89 -0.43 1.57 4.39 -1.93 0.88 114.58 119.22 1fi9 h GLU 4 Ca 0.22 0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.99 1fi9 h GLU 4 Cb 0.35 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1fi9 h GLU 4 CO -0.00 -0.56 0.27 0.87 -1.16 0.00 0.00 179.01 178.43 1fi9 h LYS 5 N -1.12 0.54 -0.91 2.33 1.57 -1.93 -2.05 116.57 115.00 1fi9 h LYS 5 Ca -0.09 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 58.90 1fi9 h LYS 5 Cb 0.74 -0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.79 1fi9 h LYS 5 CO 0.16 0.35 0.36 0.78 -0.57 0.00 0.00 179.45 180.53 1fi9 h GLY 6 N 0.55 1.56 0.93 3.86 0.00 -0.39 0.44 103.07 110.03 1fi9 h GLY 6 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1fi9 h GLY 6 CO -0.05 -0.36 -0.20 1.70 0.00 0.00 0.00 176.54 177.64 1fi9 h LYS 7 N 0.30 -0.53 -0.21 4.80 3.64 -0.13 0.12 116.57 124.57 1fi9 h LYS 7 Ca 0.59 0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.90 1fi9 h LYS 7 Cb 1.21 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1fi9 h LYS 7 CO -0.60 -0.31 -0.32 0.87 -2.27 0.00 0.00 179.45 176.82 1fi9 h LYS 8 N -0.63 0.43 0.60 1.90 6.56 -0.75 -2.83 116.57 121.85 1fi9 h LYS 8 Ca -0.06 -0.18 -0.03 0.00 -1.06 0.00 0.00 60.65 59.32 1fi9 h LYS 8 Cb 0.46 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1fi9 h LYS 8 CO 0.09 0.71 -0.29 0.82 -2.06 0.00 0.00 179.45 178.72 1fi9 h ILE 9 N 0.37 0.00 -0.97 1.86 2.04 0.00 0.17 117.51 120.98 1fi9 h ILE 9 Ca 0.05 -0.03 0.28 0.00 1.00 0.00 0.00 64.86 66.15 1fi9 h ILE 9 Cb 0.75 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.66 1fi9 h ILE 9 CO 0.06 0.00 0.08 0.15 0.00 0.00 0.00 178.15 178.44 1fi9 h PHE 10 N -0.84 0.05 0.78 1.37 3.57 -0.95 0.54 116.94 121.47 1fi9 h PHE 10 Ca -0.08 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1fi9 h PHE 10 Cb 0.62 0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.50 1fi9 h PHE 10 CO 0.08 -0.41 -0.37 0.28 -2.23 0.00 0.00 178.31 175.66 1fi9 h VAL 11 N 0.03 0.00 0.00 1.41 2.07 -1.36 0.16 116.25 118.56 1fi9 h VAL 11 Ca 0.61 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1fi9 h VAL 11 Cb 1.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1fi9 h VAL 11 CO -0.88 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.71 1fi9 n GLN 12 N -5.33 0.14 -0.10 1.57 1.13 0.58 -1.70 117.38 113.66 1fi9 n GLN 12 Ca -0.13 0.57 -0.14 0.00 -1.94 0.00 0.00 57.00 55.36 1fi9 n GLN 12 Cb 0.41 -1.89 -0.10 0.00 0.11 0.00 0.00 30.24 28.78 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fi9 n LYS 13 N -2.17 0.60 0.01 -1.09 4.76 0.16 -4.95 118.16 115.49 1fi9 n LYS 13 Ca -0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1fi9 n LYS 13 Cb 0.08 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fi9 n ALA 15 N -2.70 0.00 -0.36 0.00 0.00 -0.69 -3.49 120.51 113.27 1fi9 n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fi9 n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fi9 n ALA 15 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1fi9 n GLN 16 N 0.00 0.79 0.00 0.00 0.00 -1.26 -2.34 117.38 114.57 1fi9 n GLN 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1fi9 n GLN 16 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fi9 s HIS 18 N -1.00 1.56 0.00 0.00 3.76 -0.99 -1.90 115.29 116.73 1fi9 s HIS 18 Ca 0.00 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1fi9 s HIS 18 Cb 0.00 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.84 1fi9 s HIS 18 CO 0.00 -0.41 0.00 2.41 -0.85 0.00 0.00 174.74 175.89 1fi9 n THR 19 N -1.72 0.00 -2.29 1.30 -1.04 -1.26 -4.61 114.28 104.66 1fi9 n THR 19 Ca -0.05 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.78 1fi9 n THR 19 Cb 0.65 -0.25 -0.02 0.00 -1.82 0.00 0.00 70.33 68.89 1fi9 n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1fi9 n VAL 20 N -2.05 -0.74 -3.60 12.58 0.24 -1.26 -4.95 118.33 118.54 1fi9 n VAL 20 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1fi9 n VAL 20 Cb 0.00 -2.47 -0.05 0.00 -1.47 0.00 0.00 33.84 29.84 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1fi9 s GLU 21 N -4.83 1.02 0.88 7.34 -1.05 -1.26 -2.83 118.70 117.97 1fi9 s GLU 21 Ca 0.00 -0.39 -0.12 0.00 -0.15 0.00 0.00 54.97 54.31 1fi9 s GLU 21 Cb 0.00 0.46 0.10 0.00 -0.44 0.00 0.00 34.13 34.26 1fi9 s GLU 21 CO 0.00 -0.38 1.04 0.36 0.95 0.00 0.00 175.26 177.23 1fi9 n LYS 22 N 0.25 -0.20 -2.29 -4.83 -0.00 -1.26 -3.01 118.16 106.81 1fi9 n LYS 22 Ca -0.18 0.01 -0.21 0.00 -0.00 0.00 0.00 58.31 57.94 1fi9 n LYS 22 Cb 0.61 -2.30 -0.02 0.00 -0.00 0.00 0.00 35.03 33.32 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N 0.59 -0.18 1.14 2.58 0.00 -1.26 -4.87 105.19 103.20 1fi9 n GLY 23 Ca 0.12 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1fi9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLY 24 N -0.95 1.90 7.00 -0.02 0.00 -1.17 -5.04 105.19 106.92 1fi9 n GLY 24 Ca -0.24 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fi9 n LYS 25 N 0.53 0.00 0.00 1.61 5.02 -1.26 -4.78 118.16 119.28 1fi9 n LYS 25 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1fi9 n LYS 25 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fi9 n HIS 26 N 0.00 0.00 -3.79 2.13 8.25 -1.26 -4.27 115.22 116.28 1fi9 n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fi9 n HIS 26 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fi9 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fi9 n LYS 27 N -1.84 0.00 0.00 -0.41 5.02 -1.26 -4.31 118.16 115.36 1fi9 n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fi9 n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fi9 n THR 28 N -1.16 0.00 -2.25 -0.18 -1.04 -1.26 -4.61 114.28 103.78 1fi9 n THR 28 Ca 0.00 1.21 -0.42 0.00 -2.04 0.00 0.00 64.05 62.80 1fi9 n THR 28 Cb 0.00 -2.09 -0.03 0.00 -1.82 0.00 0.00 70.33 66.40 1fi9 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fi9 s GLY 29 N -0.43 1.68 0.72 3.41 0.00 -0.80 -4.94 107.32 106.96 1fi9 s GLY 29 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 44.72 45.30 1fi9 s GLY 29 CO 0.00 2.65 1.10 2.56 0.00 0.00 0.00 173.10 179.41 1fi9 s PRO 30 N 3.35 2.54 -0.76 2.90 0.04 -1.26 -4.47 135.00 137.34 1fi9 s PRO 30 Ca 0.63 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 1fi9 s PRO 30 Cb -0.28 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1fi9 s PRO 30 CO 0.22 -1.43 1.90 1.21 0.04 0.00 0.00 177.00 178.93 1fi9 s ASN 31 N -3.05 5.22 0.11 6.66 2.47 -1.26 -4.60 114.94 120.50 1fi9 s ASN 31 Ca 0.64 -0.19 -0.27 0.00 0.42 0.00 0.00 52.86 53.45 1fi9 s ASN 31 Cb -0.18 -2.55 -0.08 0.00 -1.45 0.00 0.00 41.25 36.99 1fi9 s ASN 31 CO 0.49 -2.55 1.45 -0.07 -3.72 0.00 0.00 177.10 172.70 1fi9 h LEU 32 N 17.09 -1.58 -1.45 3.21 3.38 -1.87 -3.45 115.31 130.64 1fi9 h LEU 32 Ca -0.08 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1fi9 h LEU 32 Cb 1.08 0.66 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1fi9 h LEU 32 CO 1.22 -0.31 0.00 1.57 0.09 0.00 0.00 178.44 181.01 1fi9 n HIS 33 N -4.88 0.00 0.00 1.13 -0.00 -1.26 -3.03 115.22 107.18 1fi9 n HIS 33 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1fi9 n HIS 33 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N -0.36 0.98 0.24 1.57 0.00 -1.05 -4.96 105.19 101.60 1fi9 n GLY 34 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1fi9 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fi9 h LEU 35 N 0.00 -0.45 -8.07 0.99 5.85 -1.83 -3.37 115.31 108.44 1fi9 h LEU 35 Ca 0.00 -0.10 -0.49 0.00 0.84 0.00 0.00 57.88 58.13 1fi9 h LEU 35 Cb 0.00 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1fi9 h LEU 35 CO 0.00 -0.15 1.37 -0.36 -0.34 0.00 0.00 178.44 178.96 1fi9 s PHE 36 N -5.13 2.29 0.00 1.25 0.08 -1.26 -3.61 117.98 111.60 1fi9 s PHE 36 Ca -0.15 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.52 1fi9 s PHE 36 Cb 0.03 -4.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.06 1fi9 s PHE 36 CO 0.56 -1.73 0.00 0.41 -0.10 0.00 0.00 175.22 174.36 1fi9 n GLY 37 N 6.38 0.00 3.45 4.36 0.00 -1.26 -5.05 105.19 113.07 1fi9 n GLY 37 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.38 1fi9 n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fi9 n ARG 38 N 0.00 0.73 -3.84 1.61 3.00 -1.24 -5.10 116.66 111.82 1fi9 n ARG 38 Ca 0.00 -1.55 -0.24 0.00 -0.00 0.00 0.00 57.85 56.06 1fi9 n ARG 38 Cb 0.00 2.04 -0.04 0.00 0.00 0.00 0.00 32.46 34.46 1fi9 n ARG 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1fi9 s LYS 39 N -2.06 2.35 0.03 -0.14 1.02 -1.26 -3.97 119.74 115.72 1fi9 s LYS 39 Ca 0.19 -1.78 -0.24 0.00 0.02 0.00 0.00 55.97 54.15 1fi9 s LYS 39 Cb -0.03 -2.17 -0.13 0.00 -0.52 0.00 0.00 37.83 34.98 1fi9 s LYS 39 CO 0.07 -0.30 1.27 1.79 -0.92 0.00 0.00 175.35 177.25 1fi9 h THR 40 N 1.06 0.00 0.00 2.17 1.35 -1.74 -3.20 112.91 112.55 1fi9 h THR 40 Ca -0.40 -0.06 -0.09 0.00 -0.55 0.00 0.00 66.41 65.30 1fi9 h THR 40 Cb 1.27 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1fi9 h THR 40 CO 0.61 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 176.37 1fi9 n GLY 41 N -1.16 2.37 2.36 5.82 0.00 -1.25 -4.23 105.19 109.10 1fi9 n GLY 41 Ca -0.11 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1fi9 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fi9 n GLN 42 N 2.22 0.85 -4.30 1.61 1.13 -1.21 -5.00 117.38 112.68 1fi9 n GLN 42 Ca 0.21 -2.83 -0.34 0.00 -1.94 0.00 0.00 57.00 52.09 1fi9 n GLN 42 Cb 0.59 -1.38 -0.09 0.00 0.11 0.00 0.00 30.24 29.47 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s ALA 43 N -1.04 3.35 0.02 -1.58 0.00 -1.26 -4.70 121.76 116.55 1fi9 s ALA 43 Ca 0.34 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1fi9 s ALA 43 Cb 0.25 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1fi9 s ALA 43 CO -0.12 0.61 1.26 -1.25 0.00 0.00 0.00 175.76 176.27 1fi9 s PRO 44 N -1.10 4.37 -0.76 0.00 0.04 -1.26 -4.35 135.00 131.93 1fi9 s PRO 44 Ca 0.15 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 1fi9 s PRO 44 Cb -0.11 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1fi9 s PRO 44 CO 0.05 -0.39 0.63 0.41 0.04 0.00 0.00 177.00 177.73 1fi9 n GLY 45 N 3.38 -1.16 3.83 0.56 0.00 -1.26 -4.92 105.19 105.63 1fi9 n GLY 45 Ca 0.11 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -2.84 -0.07 -0.11 1.61 5.36 -1.26 -5.02 117.98 115.65 1fi9 s PHE 46 Ca 0.04 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 1fi9 s PHE 46 Cb -0.01 0.74 0.01 0.00 -0.34 0.00 0.00 43.02 43.42 1fi9 s PHE 46 CO 0.86 -1.35 -0.18 -0.08 -1.46 0.00 0.00 175.22 173.01 1fi9 s THR 47 N -3.38 1.71 0.46 0.12 -1.32 -1.26 -5.02 115.64 106.95 1fi9 s THR 47 Ca 0.13 -0.78 0.08 0.00 -1.21 0.00 0.00 61.69 59.91 1fi9 s THR 47 Cb -0.06 -1.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1fi9 s THR 47 CO 0.09 0.48 0.60 -0.31 -2.21 0.00 0.00 174.62 173.27 1fi9 s TYR 48 N 0.82 2.45 0.38 9.09 2.02 -1.26 -5.11 117.35 125.73 1fi9 s TYR 48 Ca -0.09 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1fi9 s TYR 48 Cb -0.16 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1fi9 s TYR 48 CO 0.00 -0.57 0.58 0.95 -1.57 0.00 0.00 175.55 174.94 1fi9 s THR 49 N -2.44 4.48 -0.35 -0.71 -4.23 -1.26 -4.99 115.64 106.15 1fi9 s THR 49 Ca 0.56 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1fi9 s THR 49 Cb -0.08 -3.63 -0.14 0.00 1.34 0.00 0.00 72.50 69.99 1fi9 s THR 49 CO 0.34 -0.39 2.45 -0.90 -0.54 0.00 0.00 174.62 175.58 1fi9 n ASP 50 N -1.87 4.16 0.13 3.99 5.75 -1.26 -3.10 116.55 124.35 1fi9 n ASP 50 Ca -0.02 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1fi9 n ASP 50 Cb 0.57 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fi9 n ALA 51 N 3.14 0.00 -0.24 2.12 0.00 -1.26 -4.86 120.51 119.41 1fi9 n ALA 51 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.85 1fi9 n ALA 51 Cb 0.45 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.20 1fi9 n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1fi9 h ASN 52 N 0.00 0.79 0.57 0.00 -1.24 -1.91 0.13 115.58 113.92 1fi9 h ASN 52 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1fi9 h ASN 52 Cb 0.00 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 1fi9 h ASN 52 CO 0.00 0.51 -0.38 0.50 -1.29 0.00 0.00 177.43 176.76 1fi9 h LYS 53 N 0.89 0.00 -0.00 6.67 3.11 -1.89 -2.63 116.57 122.73 1fi9 h LYS 53 Ca 0.35 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1fi9 h LYS 53 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1fi9 h LYS 53 CO -0.12 0.38 -0.21 -1.71 -2.81 0.00 0.00 179.45 174.98 1fi9 n ASN 54 N -3.79 0.23 0.30 4.20 2.85 0.32 -4.17 115.26 115.20 1fi9 n ASN 54 Ca -0.01 0.12 -0.14 0.00 -0.11 0.00 0.00 54.58 54.45 1fi9 n ASN 54 Cb 0.46 -0.17 -0.07 0.00 1.24 0.00 0.00 39.78 41.24 1fi9 n ASN 54 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1fi9 h LYS 55 N 0.04 -0.78 -4.24 1.20 3.64 -0.82 -3.48 116.57 112.13 1fi9 h LYS 55 Ca 0.00 0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.17 1fi9 h LYS 55 Cb 0.49 0.18 0.09 0.00 -0.41 0.00 0.00 32.23 32.58 1fi9 h LYS 55 CO 0.00 -0.49 -0.46 0.41 -2.27 0.00 0.00 179.45 176.65 1fi9 n GLY 56 N -0.47 -0.05 3.39 5.01 0.00 -1.26 -5.03 105.19 106.79 1fi9 n GLY 56 Ca -0.11 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1fi9 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fi9 s ILE 57 N -3.21 2.17 0.44 -0.61 -4.36 -1.26 -4.94 121.20 109.42 1fi9 s ILE 57 Ca 0.38 -1.98 -0.06 0.00 -0.26 0.00 0.00 60.65 58.73 1fi9 s ILE 57 Cb -0.17 -2.02 0.10 0.00 1.25 0.00 0.00 42.46 41.63 1fi9 s ILE 57 CO 0.49 -0.17 0.60 1.07 0.24 0.00 0.00 174.94 177.16 1fi9 n THR 58 N 0.31 0.00 -3.91 8.37 5.66 -1.26 -2.30 114.28 121.15 1fi9 n THR 58 Ca -0.13 -0.52 -0.28 0.00 -3.05 0.00 0.00 64.05 60.07 1fi9 n THR 58 Cb 0.56 -1.64 -0.17 0.00 -1.55 0.00 0.00 70.33 67.53 1fi9 n THR 58 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1fi9 s TRP 59 N -2.16 1.61 0.19 1.09 0.52 -1.25 -4.86 118.94 114.07 1fi9 s TRP 59 Ca 0.35 -0.90 0.00 0.00 0.02 0.00 0.00 56.10 55.57 1fi9 s TRP 59 Cb -0.01 -1.29 0.00 0.00 -1.15 0.00 0.00 33.47 31.02 1fi9 s TRP 59 CO 0.24 -0.56 0.00 0.36 0.02 0.00 0.00 176.95 177.01 1fi9 n LYS 60 N 4.91 0.00 0.00 4.98 2.85 -1.26 -4.19 118.16 125.44 1fi9 n LYS 60 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1fi9 n LYS 60 Cb 0.49 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1fi9 n GLU 61 N -3.27 0.00 0.10 -1.58 0.28 -1.26 -5.00 120.64 109.91 1fi9 n GLU 61 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1fi9 n GLU 61 Cb 0.03 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.87 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1fi9 h GLU 62 N 0.00 -0.32 -0.70 3.44 5.08 -1.98 0.57 114.58 120.67 1fi9 h GLU 62 Ca 0.00 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1fi9 h GLU 62 Cb 0.00 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 1fi9 h GLU 62 CO 0.00 -0.21 0.27 1.15 -1.00 0.00 0.00 179.01 179.22 1fi9 h THR 63 N -0.33 0.70 -0.47 1.13 2.02 -1.96 -0.87 112.91 113.13 1fi9 h THR 63 Ca -0.02 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.06 1fi9 h THR 63 Cb 0.28 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1fi9 h THR 63 CO -0.02 0.08 0.21 0.25 0.37 0.00 0.00 175.52 176.41 1fi9 h LEU 64 N 0.43 0.28 -0.94 2.58 6.46 -1.83 0.14 115.31 122.43 1fi9 h LEU 64 Ca 0.37 0.04 0.17 0.00 -0.12 0.00 0.00 57.88 58.34 1fi9 h LEU 64 Cb 0.52 -0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.34 1fi9 h LEU 64 CO -0.37 0.20 0.54 0.24 -0.62 0.00 0.00 178.44 178.43 1fi9 h MET 65 N 0.42 0.70 0.02 1.25 2.86 0.16 0.71 114.93 121.05 1fi9 h MET 65 Ca 0.21 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 1fi9 h MET 65 Cb 0.15 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1fi9 h MET 65 CO -0.17 0.46 -0.74 0.93 1.06 0.00 0.00 176.91 178.45 1fi9 h GLU 66 N 0.72 0.05 -0.98 1.72 5.08 -1.33 -1.97 114.58 117.87 1fi9 h GLU 66 Ca 0.53 -0.09 0.25 0.00 -1.00 0.00 0.00 59.36 59.05 1fi9 h GLU 66 Cb 0.78 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.93 1fi9 h GLU 66 CO -0.37 1.04 0.54 -0.92 -1.00 0.00 0.00 179.01 178.30 1fi9 h TYR 67 N -0.86 0.91 0.28 4.33 3.20 -0.22 0.33 116.97 124.94 1fi9 h TYR 67 Ca -0.19 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1fi9 h TYR 67 Cb 1.27 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1fi9 h TYR 67 CO 0.18 0.00 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.50 1fi9 h LEU 68 N 0.50 -0.32 -3.67 2.82 3.38 -1.01 -3.09 115.31 113.93 1fi9 h LEU 68 Ca 0.64 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.49 1fi9 h LEU 68 Cb 1.25 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1fi9 h LEU 68 CO -0.51 -0.03 -0.26 -0.62 0.09 0.00 0.00 178.44 177.11 1fi9 n GLU 69 N -4.13 1.66 0.00 1.13 -0.58 -0.41 -3.78 120.64 114.53 1fi9 n GLU 69 Ca -0.05 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 1fi9 n GLU 69 Cb 0.15 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1fi9 n ASN 70 N 2.17 0.00 -0.06 1.62 3.02 0.10 -4.81 115.26 117.30 1fi9 n ASN 70 Ca 0.29 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1fi9 n ASN 70 Cb 0.78 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.89 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fi9 h PRO 71 N 0.00 0.35 -2.35 3.52 0.13 -1.63 -3.28 132.00 128.74 1fi9 h PRO 71 Ca 0.00 -0.14 -0.65 0.00 -0.87 0.00 0.00 66.00 64.34 1fi9 h PRO 71 Cb 0.00 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 30.96 1fi9 h PRO 71 CO 0.00 0.64 1.55 0.36 -0.23 0.00 0.00 178.00 180.32 1fi9 n LYS 72 N -4.63 3.74 0.09 0.86 0.00 -1.26 -4.14 118.16 112.82 1fi9 n LYS 72 Ca -0.05 -3.05 0.00 0.00 -0.00 0.00 0.00 58.31 55.21 1fi9 n LYS 72 Cb 0.29 -2.43 0.00 0.00 -0.00 0.00 0.00 35.03 32.89 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1fi9 n LYS 73 N 1.31 0.00 0.04 -1.58 0.00 -1.24 -4.90 118.16 111.80 1fi9 n LYS 73 Ca 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.77 1fi9 n LYS 73 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.35 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1fi9 h TYR 74 N 0.00 -0.30 -3.24 5.64 -1.99 -1.72 -3.42 116.97 111.94 1fi9 h TYR 74 Ca 0.00 0.01 -0.42 0.00 2.00 0.00 0.00 58.73 60.32 1fi9 h TYR 74 Cb 0.00 0.14 -0.39 0.00 2.00 0.00 0.00 36.73 38.47 1fi9 h TYR 74 CO 0.00 -0.18 -0.75 0.96 -0.00 0.00 0.00 178.16 178.19 1fi9 s ILE 75 N -6.15 0.09 -1.35 -2.88 -4.36 -1.26 -5.06 121.20 100.23 1fi9 s ILE 75 Ca -0.14 0.13 -0.12 0.00 -0.26 0.00 0.00 60.65 60.26 1fi9 s ILE 75 Cb 0.08 -0.42 -0.05 0.00 1.25 0.00 0.00 42.46 43.31 1fi9 s ILE 75 CO 0.67 0.08 2.48 -0.81 0.24 0.00 0.00 174.94 177.59 1fi9 n PRO 76 N 5.23 2.91 0.00 0.37 -0.04 -1.26 -3.63 135.00 138.58 1fi9 n PRO 76 Ca -0.05 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1fi9 n PRO 76 Cb 0.50 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1fi9 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 77 N 3.87 -0.34 0.00 0.55 0.00 -1.26 -5.09 105.19 102.92 1fi9 n GLY 77 Ca 0.62 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1fi9 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fi9 n THR 78 N 0.00 0.00 0.00 2.61 -1.04 -1.24 -4.94 114.28 109.68 1fi9 n THR 78 Ca 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1fi9 n THR 78 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1fi9 n LYS 79 N -1.85 0.00 -1.51 -2.82 2.85 -1.26 -5.10 118.16 108.46 1fi9 n LYS 79 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 79 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1fi9 n MET 80 N 0.00 -4.10 0.00 -1.58 0.00 -1.26 -5.07 117.12 105.11 1fi9 n MET 80 Ca 0.00 2.98 0.00 0.00 -0.00 0.00 0.00 57.70 60.68 1fi9 n MET 80 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 33.22 30.00 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1fi9 n ILE 81 N 0.62 0.00 -3.83 1.12 -5.35 -1.26 -5.13 119.36 105.53 1fi9 n ILE 81 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 1fi9 n ILE 81 Cb 0.00 -0.42 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1fi9 s PHE 82 N -1.59 -0.01 -1.28 4.28 -0.12 -1.26 -5.07 117.98 112.93 1fi9 s PHE 82 Ca 0.00 -0.48 -0.11 0.00 -0.05 0.00 0.00 56.93 56.29 1fi9 s PHE 82 Cb 0.00 0.74 0.15 0.00 -0.63 0.00 0.00 43.02 43.28 1fi9 s PHE 82 CO 0.00 -1.19 1.82 0.00 -0.05 0.00 0.00 175.22 175.80 1fi9 n ALA 83 N -0.54 5.00 -1.01 1.99 0.00 -1.26 -4.83 120.51 119.86 1fi9 n ALA 83 Ca -0.06 -4.24 0.10 0.00 0.00 0.00 0.00 53.44 49.24 1fi9 n ALA 83 Cb 0.60 -3.08 -0.02 0.00 0.00 0.00 0.00 19.45 16.95 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fi9 n GLY 84 N 3.30 -1.70 0.00 0.00 0.00 -1.26 -4.71 105.19 100.82 1fi9 n GLY 84 Ca 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1fi9 n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fi9 n ILE 85 N -2.84 0.00 0.08 -0.61 2.08 -1.26 -4.97 119.36 111.84 1fi9 n ILE 85 Ca 0.00 0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.69 1fi9 n ILE 85 Cb 0.33 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1fi9 n LYS 86 N -0.55 0.00 0.05 0.38 5.02 -1.26 -5.05 118.16 116.76 1fi9 n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fi9 n LYS 86 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1fi9 n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi9 n LYS 87 N -3.04 0.00 0.00 1.97 2.85 -1.26 -5.05 118.16 113.63 1fi9 n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1fi9 n LYS 87 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1fi9 n LYS 88 N -2.70 0.00 0.38 -1.58 2.85 -1.26 -4.94 118.16 110.90 1fi9 n LYS 88 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1fi9 n LYS 88 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 89 N 0.00 0.00 -0.23 0.58 2.02 -1.99 0.35 112.91 113.64 1fi9 h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1fi9 h THR 89 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1fi9 h THR 89 CO 0.00 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 175.61 1fi9 h GLU 90 N -1.11 0.14 -0.71 6.66 3.07 -1.98 -0.75 114.58 119.90 1fi9 h GLU 90 Ca -0.09 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1fi9 h GLU 90 Cb 0.91 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.75 1fi9 h GLU 90 CO 0.05 0.09 0.47 -0.09 -1.40 0.00 0.00 179.01 178.13 1fi9 h ARG 91 N 0.14 0.83 0.00 2.33 1.12 -1.84 0.11 114.38 117.07 1fi9 h ARG 91 Ca 0.10 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1fi9 h ARG 91 Cb 0.10 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 1fi9 h ARG 91 CO -0.13 0.55 -0.00 1.49 -3.11 0.00 0.00 179.97 178.76 1fi9 h GLU 92 N 0.85 -0.00 -0.87 0.20 4.81 0.14 -2.65 114.58 117.06 1fi9 h GLU 92 Ca 0.28 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.69 1fi9 h GLU 92 Cb 0.06 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.33 1fi9 h GLU 92 CO -0.08 0.53 0.42 -0.44 -0.73 0.00 0.00 179.01 178.71 1fi9 h ASP 93 N -0.53 0.44 -0.25 1.04 3.32 -0.73 -0.76 116.42 118.96 1fi9 h ASP 93 Ca -0.00 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1fi9 h ASP 93 Cb 0.53 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 1fi9 h ASP 93 CO 0.00 0.12 -0.49 0.25 -1.72 0.00 0.00 179.24 177.40 1fi9 h LEU 94 N 0.52 -1.60 -0.76 1.55 6.46 -0.68 -0.52 115.31 120.29 1fi9 h LEU 94 Ca 0.51 0.21 0.16 0.00 -0.12 0.00 0.00 57.88 58.63 1fi9 h LEU 94 Cb 0.84 0.65 -0.10 0.00 -0.73 0.00 0.00 40.66 41.32 1fi9 h LEU 94 CO -0.44 -0.43 0.26 0.40 -0.62 0.00 0.00 178.44 177.61 1fi9 h ILE 95 N -0.47 0.58 -0.35 4.05 5.03 -0.82 0.02 117.51 125.55 1fi9 h ILE 95 Ca 0.07 -0.13 0.08 0.00 -0.12 0.00 0.00 64.86 64.76 1fi9 h ILE 95 Cb 0.63 0.18 -0.08 0.00 -3.03 0.00 0.00 36.82 34.53 1fi9 h ILE 95 CO -0.49 0.07 -0.23 0.00 -0.68 0.00 0.00 178.15 176.82 1fi9 h ALA 96 N 1.59 -0.01 0.58 1.87 0.00 -0.08 0.16 119.26 123.37 1fi9 h ALA 96 Ca 0.43 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1fi9 h ALA 96 Cb 0.70 0.51 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1fi9 h ALA 96 CO -0.46 -0.62 -0.28 -0.92 0.00 0.00 0.00 179.25 176.98 1fi9 h TYR 97 N -0.18 -0.73 -0.94 0.00 3.20 -0.62 -3.27 116.97 114.43 1fi9 h TYR 97 Ca 0.17 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.21 1fi9 h TYR 97 Cb 0.45 0.24 -0.18 0.00 1.54 0.00 0.00 36.73 38.79 1fi9 h TYR 97 CO -0.44 -0.45 -0.25 1.28 -1.64 0.00 0.00 178.16 176.66 1fi9 n LEU 98 N -4.13 -0.37 -0.25 2.82 4.32 -0.08 -0.20 117.00 119.10 1fi9 n LEU 98 Ca -0.10 1.63 -0.06 0.00 -0.02 0.00 0.00 56.01 57.46 1fi9 n LEU 98 Cb 0.31 -0.48 -0.01 0.00 -1.62 0.00 0.00 43.42 41.63 1fi9 n LEU 98 CO 0.23 -1.55 0.59 0.11 -1.22 0.00 0.00 177.39 175.56 1fi9 h LYS 99 N 0.00 -0.14 0.54 3.23 1.57 -0.74 0.18 116.57 121.21 1fi9 h LYS 99 Ca 0.44 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.20 1fi9 h LYS 99 Cb 0.67 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1fi9 h LYS 99 CO -0.97 -0.09 -0.26 -0.22 -0.57 0.00 0.00 179.45 177.34 1fi9 h LYS 100 N -0.14 -0.70 -0.88 3.15 1.63 -0.79 -3.32 116.57 115.51 1fi9 h LYS 100 Ca 0.24 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 60.16 1fi9 h LYS 100 Cb 0.56 0.16 -0.11 0.00 -0.60 0.00 0.00 32.23 32.24 1fi9 h LYS 100 CO -0.76 -0.47 -0.53 0.00 -3.45 0.00 0.00 179.45 174.24 1fi9 h ALA 101 N -1.34 -0.51 -0.99 5.00 0.00 0.41 0.58 119.26 122.41 1fi9 h ALA 101 Ca -0.07 0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1fi9 h ALA 101 Cb 0.56 1.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.57 1fi9 h ALA 101 CO 0.12 -0.88 0.59 1.79 0.00 0.00 0.00 179.25 180.87 1fi9 h THR 102 N -0.02 0.69 -0.63 0.00 1.35 -0.84 -0.07 112.91 113.39 1fi9 h THR 102 Ca 0.14 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1fi9 h THR 102 Cb 0.38 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1fi9 h THR 102 CO -0.83 0.13 0.00 -3.20 -0.25 0.00 0.00 175.52 171.37 1fi9 n ASN 103 N -4.79 5.17 0.00 5.36 2.85 0.17 -2.53 115.26 121.49 1fi9 n ASN 103 Ca 0.23 -2.63 0.00 0.00 -0.11 0.00 0.00 54.58 52.07 1fi9 n ASN 103 Cb 0.57 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.97 1fi9 n ASN 103 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31