#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 6.42 0.29 1.61 2.15 -1.26 -4.69 116.67 121.18 1fi9 s ASP 2 Ca 0.00 1.82 -0.01 0.00 0.43 0.00 0.00 52.55 54.79 1fi9 s ASP 2 Cb 0.00 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.52 1fi9 s ASP 2 CO 0.00 -1.19 1.85 0.58 -0.17 0.00 0.00 175.17 176.23 1fi9 h VAL 3 N 6.03 1.22 0.60 1.11 2.07 -1.85 0.19 116.25 125.61 1fi9 h VAL 3 Ca -0.36 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1fi9 h VAL 3 Cb 1.16 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1fi9 h VAL 3 CO 0.98 0.29 -0.29 -0.33 0.02 0.00 0.00 177.57 178.24 1fi9 h GLU 4 N 0.80 -0.78 -0.80 1.57 4.39 -1.92 -0.22 114.58 117.63 1fi9 h GLU 4 Ca 0.18 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.00 1fi9 h GLU 4 Cb 0.25 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 1fi9 h GLU 4 CO -0.01 -0.52 0.48 0.87 -1.16 0.00 0.00 179.01 178.68 1fi9 h LYS 5 N -0.92 0.85 -0.87 2.33 1.57 -1.92 -1.43 116.57 116.18 1fi9 h LYS 5 Ca -0.08 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1fi9 h LYS 5 Cb 0.62 -0.19 -0.10 0.00 0.08 0.00 0.00 32.23 32.64 1fi9 h LYS 5 CO 0.14 0.56 0.43 0.78 -0.57 0.00 0.00 179.45 180.79 1fi9 h GLY 6 N 0.87 1.44 1.00 3.86 0.00 -0.50 0.35 103.07 110.09 1fi9 h GLY 6 Ca 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1fi9 h GLY 6 CO -0.18 -0.11 -0.20 1.70 0.00 0.00 0.00 176.54 177.75 1fi9 h LYS 7 N 0.56 -0.54 -0.69 4.80 3.64 0.05 -0.73 116.57 123.65 1fi9 h LYS 7 Ca 0.49 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.84 1fi9 h LYS 7 Cb 0.78 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1fi9 h LYS 7 CO -0.41 -0.36 0.14 0.87 -2.27 0.00 0.00 179.45 177.42 1fi9 h LYS 8 N -0.57 1.12 0.36 1.90 6.56 -0.78 -2.27 116.57 122.89 1fi9 h LYS 8 Ca -0.06 -0.28 -0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1fi9 h LYS 8 Cb 0.43 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 1fi9 h LYS 8 CO 0.09 1.01 -0.44 0.82 -2.06 0.00 0.00 179.45 178.87 1fi9 h ILE 9 N 1.06 0.13 -0.82 1.86 2.04 -0.17 0.34 117.51 121.95 1fi9 h ILE 9 Ca 0.21 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.27 1fi9 h ILE 9 Cb 0.41 0.13 -0.13 0.00 -0.74 0.00 0.00 36.82 36.49 1fi9 h ILE 9 CO 0.01 0.00 0.20 0.15 0.00 0.00 0.00 178.15 178.51 1fi9 h PHE 10 N -0.84 0.30 0.00 1.37 3.57 -0.91 0.54 116.94 120.96 1fi9 h PHE 10 Ca -0.03 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1fi9 h PHE 10 Cb 0.76 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1fi9 h PHE 10 CO -0.27 -0.15 -0.29 0.28 -2.23 0.00 0.00 178.31 175.64 1fi9 h VAL 11 N 0.24 0.87 -0.01 1.41 2.07 -0.75 0.41 116.25 120.49 1fi9 h VAL 11 Ca 0.49 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1fi9 h VAL 11 Cb 0.91 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1fi9 h VAL 11 CO -0.60 0.29 -0.52 0.00 0.02 0.00 0.00 177.57 176.77 1fi9 n GLN 12 N -3.70 1.21 -0.04 1.57 1.13 0.11 -4.48 117.38 113.18 1fi9 n GLN 12 Ca -0.01 -0.81 -0.09 0.00 -1.94 0.00 0.00 57.00 54.15 1fi9 n GLN 12 Cb 0.40 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 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 -0.26 0.19 0.02 -1.09 4.76 0.15 -5.00 118.16 116.93 1fi9 n LYS 13 Ca 0.08 0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.59 1fi9 n LYS 13 Cb 0.42 -0.82 -0.00 0.00 -1.84 0.00 0.00 35.03 32.79 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 -3.41 0.00 -1.11 0.00 0.00 -0.47 -2.78 120.51 112.76 1fi9 n ALA 15 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1fi9 n ALA 15 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1fi9 n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fi9 n GLN 16 N 0.00 2.99 0.00 0.00 3.00 -1.26 -2.77 117.38 119.34 1fi9 n GLN 16 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 1fi9 n GLN 16 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 30.24 27.55 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 -1.92 2.67 -0.03 0.00 3.76 -1.11 -3.53 115.29 115.12 1fi9 s HIS 18 Ca 0.00 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.44 1fi9 s HIS 18 Cb 0.00 -1.63 0.01 0.00 1.11 0.00 0.00 32.58 32.07 1fi9 s HIS 18 CO 0.00 0.35 0.16 0.99 -0.85 0.00 0.00 174.74 175.39 1fi9 s THR 19 N -2.46 0.04 -0.43 1.30 2.01 -1.26 -4.43 115.64 110.41 1fi9 s THR 19 Ca 0.37 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.16 1fi9 s THR 19 Cb -0.02 -0.34 0.37 0.00 0.01 0.00 0.00 72.50 72.53 1fi9 s THR 19 CO 0.22 -0.17 0.86 1.33 -0.69 0.00 0.00 174.62 176.17 1fi9 n VAL 20 N 2.28 1.19 -4.03 3.82 0.24 -1.26 0.08 118.33 120.65 1fi9 n VAL 20 Ca -0.17 -4.70 -0.09 0.00 -2.04 0.00 0.00 64.34 57.34 1fi9 n VAL 20 Cb 0.57 -0.56 -0.09 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.94 0.85 0.00 7.34 -1.05 -1.26 -4.35 118.70 117.30 1fi9 s GLU 21 Ca 0.42 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 1fi9 s GLU 21 Cb 0.35 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 34.32 1fi9 s GLU 21 CO -0.09 -0.24 1.14 0.36 0.95 0.00 0.00 175.26 177.37 1fi9 n LYS 22 N -0.05 0.87 -0.97 -4.83 -0.00 -1.26 -2.59 118.16 109.33 1fi9 n LYS 22 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.17 1fi9 n LYS 22 Cb 0.62 -1.07 -0.04 0.00 -0.00 0.00 0.00 35.03 34.55 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 0.88 0.67 3.72 2.58 0.00 -1.26 -5.13 105.19 106.65 1fi9 n GLY 23 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 0.08 1.27 0.07 -0.02 0.00 -1.07 -4.92 105.19 100.61 1fi9 n GLY 24 Ca -0.16 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 2.63 0.64 -1.68 1.61 5.02 -1.26 -4.92 118.16 120.20 1fi9 n LYS 25 Ca 0.11 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.43 1fi9 n LYS 25 Cb 0.35 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.65 -1.06 0.00 2.13 8.25 -1.26 -5.06 115.22 115.58 1fi9 n HIS 26 Ca -0.11 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1fi9 n HIS 26 Cb 0.79 -2.12 0.00 0.00 1.12 0.00 0.00 29.99 29.77 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 0.40 0.00 -0.08 -0.41 5.02 -1.26 -4.95 118.16 116.88 1fi9 n LYS 27 Ca -0.08 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 1fi9 n LYS 27 Cb 0.13 -0.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.77 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 -2.18 0.91 -4.20 -0.18 -1.04 -1.23 -5.05 114.28 101.32 1fi9 n THR 28 Ca 0.00 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.05 61.50 1fi9 n THR 28 Cb 0.00 -1.55 -0.08 0.00 -1.82 0.00 0.00 70.33 66.88 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 -5.36 2.33 0.92 3.41 0.00 -1.23 -5.04 107.32 102.36 1fi9 s GLY 29 Ca -0.23 -2.12 -0.12 0.00 0.00 0.00 0.00 44.72 42.25 1fi9 s GLY 29 CO 0.31 -1.93 1.13 2.56 0.00 0.00 0.00 173.10 175.17 1fi9 s PRO 30 N -3.87 1.04 -0.17 2.90 0.04 -1.26 -4.64 135.00 129.04 1fi9 s PRO 30 Ca 0.40 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 1fi9 s PRO 30 Cb 0.04 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1fi9 s PRO 30 CO 0.22 -2.28 1.91 0.54 0.04 0.00 0.00 177.00 177.43 1fi9 s ASN 31 N -3.93 6.06 0.53 6.66 4.22 -1.26 -4.18 114.94 123.04 1fi9 s ASN 31 Ca 0.64 1.94 0.35 0.00 -2.14 0.00 0.00 52.86 53.65 1fi9 s ASN 31 Cb -0.15 -2.52 1.89 0.00 1.28 0.00 0.00 41.25 41.75 1fi9 s ASN 31 CO 0.54 -1.47 2.08 -0.07 -2.04 0.00 0.00 177.10 176.14 1fi9 h LEU 32 N 12.66 0.00 -8.68 3.54 3.38 -0.72 -3.43 115.31 122.07 1fi9 h LEU 32 Ca -0.40 0.00 -0.85 0.00 0.09 0.00 0.00 57.88 56.73 1fi9 h LEU 32 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1fi9 h LEU 32 CO 0.98 0.00 0.78 1.57 0.09 0.00 0.00 178.44 181.86 1fi9 n HIS 33 N -2.76 1.63 -0.19 1.13 -0.00 -1.18 -0.59 115.22 113.26 1fi9 n HIS 33 Ca -0.02 1.07 0.00 0.00 0.46 0.00 0.00 57.72 59.23 1fi9 n HIS 33 Cb 0.07 -2.20 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 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 4.51 0.70 0.15 1.57 0.00 0.10 -5.00 105.19 107.21 1fi9 n GLY 34 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.56 -8.74 0.99 5.85 -1.08 -3.34 115.31 108.43 1fi9 h LEU 35 Ca 0.00 0.07 -0.54 0.00 0.84 0.00 0.00 57.88 58.25 1fi9 h LEU 35 Cb 0.00 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1fi9 h LEU 35 CO 0.00 -0.14 1.35 -0.36 -0.34 0.00 0.00 178.44 178.94 1fi9 s PHE 36 N -3.84 1.66 0.00 1.25 0.08 -1.26 -2.18 117.98 113.68 1fi9 s PHE 36 Ca -0.05 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.76 1fi9 s PHE 36 Cb 0.02 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.42 1fi9 s PHE 36 CO 0.19 -2.79 0.00 0.41 -0.10 0.00 0.00 175.22 172.94 1fi9 n GLY 37 N 5.58 1.50 2.72 4.36 0.00 -1.26 -5.02 105.19 113.07 1fi9 n GLY 37 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.42 1.35 0.00 1.61 0.63 -0.93 -5.12 116.66 113.78 1fi9 n ARG 38 Ca 0.00 -2.67 0.00 0.00 -0.92 0.00 0.00 57.85 54.26 1fi9 n ARG 38 Cb 0.00 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1fi9 n ARG 38 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1fi9 n LYS 39 N -0.58 0.00 0.00 -0.14 4.81 -1.26 -4.49 118.16 116.50 1fi9 n LYS 39 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1fi9 n LYS 39 Cb 0.83 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.88 1fi9 n LYS 39 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1fi9 n THR 40 N 0.00 0.00 0.00 3.15 -2.24 -0.80 -2.20 114.28 112.18 1fi9 n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1fi9 n THR 40 Cb 0.00 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1fi9 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fi9 n GLY 41 N 2.81 -2.81 4.09 3.38 0.00 -1.24 -4.76 105.19 106.66 1fi9 n GLY 41 Ca 0.00 0.34 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.59 -0.76 -2.21 1.61 1.13 -1.26 -4.77 117.38 110.53 1fi9 n GLN 42 Ca 0.00 0.12 -0.43 0.00 -1.94 0.00 0.00 57.00 54.75 1fi9 n GLN 42 Cb 0.00 -3.99 -0.02 0.00 0.11 0.00 0.00 30.24 26.34 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 -2.95 3.43 -1.39 -1.58 0.00 -1.26 -4.88 121.76 113.14 1fi9 s ALA 43 Ca 0.70 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1fi9 s ALA 43 Cb -0.41 -3.77 -0.00 0.00 0.00 0.00 0.00 23.12 18.94 1fi9 s ALA 43 CO 0.87 -1.66 2.28 -0.35 0.00 0.00 0.00 175.76 176.90 1fi9 n PRO 44 N 7.29 2.77 -2.84 0.00 -0.04 -1.26 -4.19 135.00 136.73 1fi9 n PRO 44 Ca 0.17 -2.44 -0.11 0.00 -0.04 0.00 0.00 63.50 61.08 1fi9 n PRO 44 Cb 0.45 -3.17 0.05 0.00 -0.04 0.00 0.00 33.50 30.79 1fi9 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 45 N 4.08 -0.71 3.18 0.55 0.00 -1.26 -5.07 105.19 105.96 1fi9 n GLY 45 Ca 0.55 0.39 -0.17 0.00 0.00 0.00 0.00 46.02 46.78 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 -3.28 1.18 -1.04 1.61 5.36 -1.26 -5.09 117.98 115.45 1fi9 s PHE 46 Ca 0.34 -0.51 -0.22 0.00 -0.96 0.00 0.00 56.93 55.58 1fi9 s PHE 46 Cb -0.04 -0.65 0.07 0.00 -0.34 0.00 0.00 43.02 42.05 1fi9 s PHE 46 CO 0.57 0.05 1.44 0.99 -1.46 0.00 0.00 175.22 176.81 1fi9 s THR 47 N -1.61 4.07 0.90 0.12 2.01 -1.26 -4.92 115.64 114.95 1fi9 s THR 47 Ca 0.00 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 1fi9 s THR 47 Cb -0.08 -5.04 0.16 0.00 0.01 0.00 0.00 72.50 67.55 1fi9 s THR 47 CO 0.02 -1.89 1.27 -0.72 -0.69 0.00 0.00 174.62 172.61 1fi9 s TYR 48 N 4.53 2.06 0.30 4.92 -0.85 -1.26 -5.07 117.35 121.98 1fi9 s TYR 48 Ca 0.45 0.45 0.05 0.00 -0.52 0.00 0.00 57.07 57.51 1fi9 s TYR 48 Cb -0.00 -3.89 -0.06 0.00 0.38 0.00 0.00 41.96 38.39 1fi9 s TYR 48 CO -0.08 -2.33 -0.00 0.95 -1.52 0.00 0.00 175.55 172.57 1fi9 s THR 49 N -3.77 1.43 -0.80 -3.49 -4.23 -1.26 -5.04 115.64 98.48 1fi9 s THR 49 Ca 0.70 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 1fi9 s THR 49 Cb -0.06 -2.61 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 1fi9 s THR 49 CO 0.51 -0.17 2.22 0.47 -0.54 0.00 0.00 174.62 177.12 1fi9 n ASP 50 N -0.63 4.90 0.00 3.99 9.92 -1.26 -2.84 116.55 130.63 1fi9 n ASP 50 Ca -0.04 -2.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 1fi9 n ASP 50 Cb 0.65 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fi9 n ALA 51 N 3.88 0.00 -1.85 2.24 0.00 -1.26 -4.89 120.51 118.63 1fi9 n ALA 51 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 1fi9 n ALA 51 Cb 0.21 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.71 1fi9 n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1fi9 n ASN 52 N -2.39 6.98 0.20 0.00 5.15 -1.13 -3.79 115.26 120.28 1fi9 n ASN 52 Ca 0.00 -3.80 0.00 0.00 -0.60 0.00 0.00 54.58 50.18 1fi9 n ASN 52 Cb 0.00 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 1fi9 n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fi9 n LYS 53 N -0.65 0.00 0.21 1.20 0.00 -1.25 -3.71 118.16 113.96 1fi9 n LYS 53 Ca 0.53 0.00 0.15 0.00 0.00 0.00 0.00 58.31 58.99 1fi9 n LYS 53 Cb 0.47 0.00 0.72 0.00 0.00 0.00 0.00 35.03 36.21 1fi9 n LYS 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1fi9 h ASN 54 N 0.00 0.00 0.16 3.14 2.35 -1.82 -3.20 115.58 116.21 1fi9 h ASN 54 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1fi9 h ASN 54 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1fi9 h ASN 54 CO 0.00 0.00 -0.20 0.50 -1.65 0.00 0.00 177.43 176.08 1fi9 h LYS 55 N 0.00 -0.39 -3.44 0.81 3.64 -1.91 -3.47 116.57 111.80 1fi9 h LYS 55 Ca 0.00 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1fi9 h LYS 55 Cb 0.19 0.09 0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1fi9 h LYS 55 CO 0.00 -0.26 -0.34 0.41 -2.27 0.00 0.00 179.45 176.99 1fi9 n GLY 56 N -1.33 0.19 3.32 5.01 0.00 -1.21 -5.04 105.19 106.13 1fi9 n GLY 56 Ca -0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.16 2.43 -0.21 -0.61 -4.36 -1.26 -4.84 121.20 109.19 1fi9 s ILE 57 Ca 0.20 -0.92 -0.29 0.00 -0.26 0.00 0.00 60.65 59.38 1fi9 s ILE 57 Cb -0.09 -1.93 -0.06 0.00 1.25 0.00 0.00 42.46 41.64 1fi9 s ILE 57 CO 0.35 0.56 2.20 0.35 0.24 0.00 0.00 174.94 178.65 1fi9 n THR 58 N 3.00 0.37 -1.57 8.37 -2.24 -1.26 -1.91 114.28 119.04 1fi9 n THR 58 Ca -0.18 -0.43 -0.44 0.00 -2.27 0.00 0.00 64.05 60.73 1fi9 n THR 58 Cb 0.52 -2.50 -0.04 0.00 -2.10 0.00 0.00 70.33 66.21 1fi9 n THR 58 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1fi9 n TRP 59 N 11.29 1.87 -4.22 4.78 7.02 -0.94 -4.84 117.44 132.40 1fi9 n TRP 59 Ca 0.30 -0.04 -0.12 0.00 -1.02 0.00 0.00 57.50 56.61 1fi9 n TRP 59 Cb 0.43 -2.69 -0.10 0.00 -2.42 0.00 0.00 31.31 26.53 1fi9 n TRP 59 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1fi9 s LYS 60 N 6.44 1.04 0.27 -0.99 -2.85 -1.26 -4.19 119.74 118.21 1fi9 s LYS 60 Ca 1.03 -1.49 0.01 0.00 -1.00 0.00 0.00 55.97 54.51 1fi9 s LYS 60 Cb -0.43 -0.17 0.61 0.00 -2.06 0.00 0.00 37.83 35.79 1fi9 s LYS 60 CO 0.37 -0.14 1.74 1.05 0.10 0.00 0.00 175.35 178.47 1fi9 h GLU 61 N 2.76 0.53 -0.35 1.78 4.11 -1.98 0.50 114.58 121.92 1fi9 h GLU 61 Ca -0.36 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.11 1fi9 h GLU 61 Cb 1.20 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1fi9 h GLU 61 CO 0.62 0.35 -0.35 1.49 0.07 0.00 0.00 179.01 181.19 1fi9 h GLU 62 N 0.54 -0.29 -0.02 1.06 4.81 -1.96 0.25 114.58 118.97 1fi9 h GLU 62 Ca 0.50 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.73 1fi9 h GLU 62 Cb 0.82 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1fi9 h GLU 62 CO -0.43 -0.19 -0.07 1.79 -0.73 0.00 0.00 179.01 179.39 1fi9 h THR 63 N -0.30 1.48 -0.53 0.32 1.35 -1.41 -3.12 112.91 110.71 1fi9 h THR 63 Ca 0.15 -1.51 0.11 0.00 -0.55 0.00 0.00 66.41 64.60 1fi9 h THR 63 Cb 0.55 2.44 -0.10 0.00 -1.73 0.00 0.00 68.15 69.31 1fi9 h THR 63 CO -0.51 0.40 -0.16 -0.07 -0.25 0.00 0.00 175.52 174.93 1fi9 h LEU 64 N -0.51 -0.58 -0.93 3.87 3.38 -0.84 -0.60 115.31 119.11 1fi9 h LEU 64 Ca -0.00 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.35 1fi9 h LEU 64 Cb 0.69 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 1fi9 h LEU 64 CO 0.01 -0.20 0.47 0.24 0.09 0.00 0.00 178.44 179.05 1fi9 h MET 65 N -0.04 0.48 -0.11 1.13 2.86 -0.51 0.25 114.93 119.00 1fi9 h MET 65 Ca 0.25 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1fi9 h MET 65 Cb 0.42 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1fi9 h MET 65 CO -0.56 0.32 0.00 0.39 1.06 0.00 0.00 176.91 178.12 1fi9 n GLU 66 N -4.97 1.82 -0.04 1.72 -0.58 -0.42 -3.46 120.64 114.71 1fi9 n GLU 66 Ca 0.23 -1.22 -0.07 0.00 -0.42 0.00 0.00 57.16 55.68 1fi9 n GLU 66 Cb 0.65 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 30.06 1fi9 n GLU 66 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1fi9 n TYR 67 N 0.45 0.00 -0.17 -0.32 9.36 0.42 -3.76 117.16 123.15 1fi9 n TYR 67 Ca 0.17 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.50 1fi9 n TYR 67 Cb 0.39 -0.35 0.43 0.00 -0.63 0.00 0.00 39.34 39.17 1fi9 n TYR 67 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1fi9 h LEU 68 N -0.62 0.53 -3.36 2.98 3.38 -0.85 0.19 115.31 117.56 1fi9 h LEU 68 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fi9 h LEU 68 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1fi9 h LEU 68 CO -0.03 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 1fi9 n GLU 69 N -4.49 4.13 -2.68 1.13 -0.58 -1.22 -3.66 120.64 113.26 1fi9 n GLU 69 Ca 0.13 -2.99 -0.05 0.00 -0.42 0.00 0.00 57.16 53.83 1fi9 n GLU 69 Cb 0.38 -2.04 0.07 0.00 -0.57 0.00 0.00 31.44 29.28 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 0.58 -1.59 -0.13 1.62 3.02 -0.05 -4.83 115.26 113.89 1fi9 n ASN 70 Ca 0.26 -2.30 -0.10 0.00 -0.03 0.00 0.00 54.58 52.41 1fi9 n ASN 70 Cb 1.02 1.23 -0.01 0.00 -0.61 0.00 0.00 39.78 41.41 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 1.97 0.59 -0.73 3.52 0.13 -1.46 -1.41 132.00 134.60 1fi9 h PRO 71 Ca -0.35 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fi9 h PRO 71 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1fi9 h PRO 71 CO -0.06 0.60 0.00 0.36 -0.23 0.00 0.00 178.00 178.67 1fi9 n LYS 72 N -4.62 2.30 -0.08 0.86 0.00 -1.26 -4.16 118.16 111.20 1fi9 n LYS 72 Ca -0.01 -1.14 -0.07 0.00 -0.00 0.00 0.00 58.31 57.09 1fi9 n LYS 72 Cb 0.18 -1.68 -0.02 0.00 -0.00 0.00 0.00 35.03 33.50 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 0.25 0.49 0.46 -1.58 3.00 -0.54 -4.49 118.16 115.75 1fi9 n LYS 73 Ca 0.10 0.29 -0.20 0.00 -0.00 0.00 0.00 58.31 58.50 1fi9 n LYS 73 Cb 0.53 -1.46 -0.10 0.00 0.00 0.00 0.00 35.03 34.00 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 -0.96 -1.26 -3.18 5.64 0.05 -1.71 -3.41 116.97 112.15 1fi9 h TYR 74 Ca 0.00 -0.02 -0.54 0.00 0.05 0.00 0.00 58.73 58.22 1fi9 h TYR 74 Cb 0.83 0.44 -0.40 0.00 1.01 0.00 0.00 36.73 38.61 1fi9 h TYR 74 CO -0.36 -0.73 -0.76 -1.50 -1.05 0.00 0.00 178.16 173.76 1fi9 s ILE 75 N -5.97 0.60 -1.05 -2.88 -1.16 -1.26 -5.06 121.20 104.42 1fi9 s ILE 75 Ca -0.19 -0.90 -0.19 0.00 -0.51 0.00 0.00 60.65 58.86 1fi9 s ILE 75 Cb 0.03 -1.27 -0.08 0.00 0.61 0.00 0.00 42.46 41.75 1fi9 s ILE 75 CO 0.60 -0.44 2.02 -0.81 -2.81 0.00 0.00 174.94 173.51 1fi9 n PRO 76 N 4.99 2.04 0.00 3.50 -0.04 -1.26 -4.29 135.00 139.95 1fi9 n PRO 76 Ca -0.06 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1fi9 n PRO 76 Cb 0.45 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.50 -2.06 1.13 0.55 0.00 -1.26 -5.07 105.19 102.97 1fi9 n GLY 77 Ca 0.50 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.51 1fi9 n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fi9 n THR 78 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.78 114.28 116.51 1fi9 n THR 78 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fi9 n THR 78 Cb 0.00 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1fi9 n LYS 79 N -2.06 0.00 -2.06 1.09 2.85 -1.26 -5.10 118.16 111.62 1fi9 n LYS 79 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 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 -1.13 -0.09 -1.58 1.56 -1.26 -5.04 117.12 109.58 1fi9 n MET 80 Ca 0.00 1.26 -0.16 0.00 -0.27 0.00 0.00 57.70 58.53 1fi9 n MET 80 Cb 0.00 -3.16 -0.13 0.00 2.15 0.00 0.00 33.22 32.07 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1fi9 n ILE 81 N -0.23 1.54 -3.23 1.12 -5.35 -1.26 -5.08 119.36 106.86 1fi9 n ILE 81 Ca 0.04 -0.66 -0.02 0.00 -0.27 0.00 0.00 62.75 61.84 1fi9 n ILE 81 Cb 0.14 -1.26 0.01 0.00 -1.74 0.00 0.00 39.64 36.79 1fi9 n ILE 81 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1fi9 n PHE 82 N -3.19 -1.20 0.11 4.28 -1.74 -1.26 -5.07 117.46 109.39 1fi9 n PHE 82 Ca -0.39 -0.38 -0.04 0.00 -0.56 0.00 0.00 57.45 56.08 1fi9 n PHE 82 Cb 1.04 0.19 -0.02 0.00 1.52 0.00 0.00 39.48 42.21 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 h ALA 83 N 2.00 -0.88 0.00 1.98 0.00 -1.98 -3.46 119.26 116.93 1fi9 h ALA 83 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1fi9 h ALA 83 Cb 0.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fi9 h ALA 83 CO 0.09 -0.86 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1fi9 n GLY 84 N -0.56 -1.45 0.00 0.00 0.00 -1.26 -4.15 105.19 97.76 1fi9 n GLY 84 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 3.61 0.00 0.06 -0.61 2.08 -1.24 -4.91 119.36 118.36 1fi9 n ILE 85 Ca 0.00 0.61 0.00 0.00 0.56 0.00 0.00 62.75 63.92 1fi9 n ILE 85 Cb 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 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 -0.17 0.00 0.00 0.38 5.02 -1.26 -5.07 118.16 117.05 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 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -2.86 0.00 0.00 1.97 2.85 -1.26 -5.06 118.16 113.80 1fi9 n LYS 87 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 1fi9 n LYS 87 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 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 0.00 2.21 -0.03 -1.58 -0.00 -1.26 -4.37 118.16 113.13 1fi9 n LYS 88 Ca 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 58.31 57.75 1fi9 n LYS 88 Cb 0.00 -1.11 -0.01 0.00 -0.00 0.00 0.00 35.03 33.91 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1fi9 h THR 89 N 1.08 0.00 -0.77 0.58 2.02 -1.99 -3.32 112.91 110.50 1fi9 h THR 89 Ca 0.00 -0.37 0.11 0.00 0.77 0.00 0.00 66.41 66.92 1fi9 h THR 89 Cb 0.37 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.70 1fi9 h THR 89 CO 0.00 0.00 0.38 -0.33 0.37 0.00 0.00 175.52 175.94 1fi9 h GLU 90 N -0.37 0.60 -0.94 6.66 3.07 -1.99 0.22 114.58 121.82 1fi9 h GLU 90 Ca 0.00 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.90 1fi9 h GLU 90 Cb 0.18 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 27.89 1fi9 h GLU 90 CO 0.00 0.39 0.61 0.07 -1.40 0.00 0.00 179.01 178.68 1fi9 h ARG 91 N 0.61 0.99 -0.42 2.33 0.11 -1.79 0.94 114.38 117.16 1fi9 h ARG 91 Ca 0.39 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.40 1fi9 h ARG 91 Cb 0.47 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1fi9 h ARG 91 CO -0.31 0.66 0.22 0.93 0.10 0.00 0.00 179.97 181.57 1fi9 h GLU 92 N 1.02 0.60 -0.31 0.08 5.08 -0.70 0.35 114.58 120.70 1fi9 h GLU 92 Ca 0.42 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1fi9 h GLU 92 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1fi9 h GLU 92 CO -0.18 0.50 0.18 -0.44 -1.00 0.00 0.00 179.01 178.07 1fi9 h ASP 93 N 0.55 0.38 -0.24 1.42 3.32 -0.72 -2.36 116.42 118.76 1fi9 h ASP 93 Ca 0.15 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1fi9 h ASP 93 Cb 0.08 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 1fi9 h ASP 93 CO -0.02 0.34 -0.38 0.25 -1.72 0.00 0.00 179.24 177.70 1fi9 h LEU 94 N 0.39 -1.23 -0.98 1.55 6.46 -0.25 -0.29 115.31 120.95 1fi9 h LEU 94 Ca 0.11 0.18 0.24 0.00 -0.12 0.00 0.00 57.88 58.29 1fi9 h LEU 94 Cb 0.04 0.53 -0.12 0.00 -0.73 0.00 0.00 40.66 40.37 1fi9 h LEU 94 CO -0.02 -0.38 0.55 0.40 -0.62 0.00 0.00 178.44 178.37 1fi9 h ILE 95 N -0.39 0.52 0.01 4.05 5.03 -0.71 -0.65 117.51 125.37 1fi9 h ILE 95 Ca 0.11 -0.19 0.03 0.00 -0.12 0.00 0.00 64.86 64.70 1fi9 h ILE 95 Cb 0.58 -0.07 -0.04 0.00 -3.03 0.00 0.00 36.82 34.26 1fi9 h ILE 95 CO -0.46 0.10 -0.26 0.00 -0.68 0.00 0.00 178.15 176.85 1fi9 h ALA 96 N 1.73 -0.37 0.75 1.87 0.00 -0.52 0.23 119.26 122.95 1fi9 h ALA 96 Ca 0.63 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 1fi9 h ALA 96 Cb 1.20 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1fi9 h ALA 96 CO -0.49 -0.77 -0.47 -0.92 0.00 0.00 0.00 179.25 176.60 1fi9 h TYR 97 N -0.41 -1.25 -0.85 0.00 3.20 -1.14 -3.15 116.97 113.36 1fi9 h TYR 97 Ca 0.06 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.08 1fi9 h TYR 97 Cb 0.49 0.45 -0.16 0.00 1.54 0.00 0.00 36.73 39.05 1fi9 h TYR 97 CO -0.29 -0.70 -0.24 1.25 -1.64 0.00 0.00 178.16 176.54 1fi9 h LEU 98 N -1.15 -0.88 -0.77 2.82 6.46 -0.81 0.29 115.31 121.27 1fi9 h LEU 98 Ca -0.10 0.26 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 1fi9 h LEU 98 Cb 0.92 0.56 -0.15 0.00 -0.73 0.00 0.00 40.66 41.27 1fi9 h LEU 98 CO 0.09 -0.29 -0.22 0.11 -0.62 0.00 0.00 178.44 177.52 1fi9 h LYS 99 N -0.01 -0.02 0.15 1.25 1.57 -0.51 0.79 116.57 119.79 1fi9 h LYS 99 Ca 0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 1fi9 h LYS 99 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1fi9 h LYS 99 CO -0.88 -0.01 -0.07 0.87 -0.57 0.00 0.00 179.45 178.79 1fi9 h LYS 100 N -0.02 -0.19 -0.68 3.15 1.79 -0.72 -3.35 116.57 116.54 1fi9 h LYS 100 Ca 0.36 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.98 1fi9 h LYS 100 Cb 0.57 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.14 1fi9 h LYS 100 CO -0.80 0.02 -0.15 0.00 -1.08 0.00 0.00 179.45 177.44 1fi9 h ALA 101 N -0.84 0.49 -0.09 3.86 0.00 -0.25 0.38 119.26 122.81 1fi9 h ALA 101 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1fi9 h ALA 101 Cb 0.30 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1fi9 h ALA 101 CO 0.03 -0.42 0.06 1.79 0.00 0.00 0.00 179.25 180.71 1fi9 h THR 102 N 0.01 1.02 -0.54 0.00 1.35 -1.03 -1.57 112.91 112.16 1fi9 h THR 102 Ca 0.33 -0.04 -0.27 0.00 -0.55 0.00 0.00 66.41 65.88 1fi9 h THR 102 Cb 0.52 0.89 -0.16 0.00 -1.73 0.00 0.00 68.15 67.67 1fi9 h THR 102 CO -0.69 0.02 0.13 0.59 -0.25 0.00 0.00 175.52 175.33 1fi9 n ASN 103 N -4.53 2.92 0.00 5.36 3.02 0.12 0.02 115.26 122.17 1fi9 n ASN 103 Ca -0.02 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 1fi9 n ASN 103 Cb 0.08 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 1fi9 n ASN 103 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85