#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 6.95 0.20 1.61 -1.08 -1.26 -4.68 116.67 118.41 1fi9 s ASP 2 Ca 0.00 1.84 -0.09 0.00 -0.52 0.00 0.00 52.55 53.78 1fi9 s ASP 2 Cb 0.00 -2.55 0.14 0.00 -1.46 0.00 0.00 42.92 39.05 1fi9 s ASP 2 CO 0.00 -0.70 1.78 0.58 0.52 0.00 0.00 175.17 177.35 1fi9 h VAL 3 N 5.23 1.24 0.79 1.11 2.07 -1.83 0.13 116.25 125.00 1fi9 h VAL 3 Ca -0.32 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1fi9 h VAL 3 Cb 1.14 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1fi9 h VAL 3 CO 0.93 0.30 -0.38 -0.33 0.02 0.00 0.00 177.57 178.10 1fi9 h GLU 4 N 1.04 -1.02 -0.85 1.57 4.39 -1.93 0.10 114.58 117.89 1fi9 h GLU 4 Ca 0.25 0.07 0.09 0.00 0.34 0.00 0.00 59.36 60.11 1fi9 h GLU 4 Cb 0.15 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1fi9 h GLU 4 CO -0.03 -0.68 0.50 0.87 -1.16 0.00 0.00 179.01 178.51 1fi9 h LYS 5 N -1.20 0.83 -0.71 2.33 1.57 -1.91 -1.02 116.57 116.45 1fi9 h LYS 5 Ca -0.11 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1fi9 h LYS 5 Cb 0.81 -0.19 -0.10 0.00 0.08 0.00 0.00 32.23 32.84 1fi9 h LYS 5 CO 0.18 0.55 0.18 0.78 -0.57 0.00 0.00 179.45 180.57 1fi9 h GLY 6 N 0.85 0.98 0.78 3.86 0.00 -0.45 0.35 103.07 109.44 1fi9 h GLY 6 Ca 0.40 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.69 1fi9 h GLY 6 CO -0.23 -0.17 -0.13 1.70 0.00 0.00 0.00 176.54 177.71 1fi9 h LYS 7 N 0.29 -0.25 -0.35 4.80 3.64 0.51 0.04 116.57 125.26 1fi9 h LYS 7 Ca 0.39 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1fi9 h LYS 7 Cb 0.64 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1fi9 h LYS 7 CO -0.47 -0.17 -0.07 0.87 -2.27 0.00 0.00 179.45 177.35 1fi9 h LYS 8 N -0.26 0.67 0.19 1.90 1.79 -0.65 -2.37 116.57 117.84 1fi9 h LYS 8 Ca 0.02 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1fi9 h LYS 8 Cb 0.27 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 1fi9 h LYS 8 CO -0.07 0.82 -0.41 0.82 -1.08 0.00 0.00 179.45 179.52 1fi9 h ILE 9 N 0.46 0.16 -0.81 1.86 2.04 -0.21 0.39 117.51 121.41 1fi9 h ILE 9 Ca 0.09 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.15 1fi9 h ILE 9 Cb 0.56 0.16 -0.14 0.00 -0.74 0.00 0.00 36.82 36.67 1fi9 h ILE 9 CO 0.03 0.00 0.06 0.15 0.00 0.00 0.00 178.15 178.39 1fi9 h PHE 10 N -0.70 0.04 0.00 1.37 3.57 -0.86 0.50 116.94 120.87 1fi9 h PHE 10 Ca 0.01 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1fi9 h PHE 10 Cb 0.69 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1fi9 h PHE 10 CO -0.33 -0.25 -0.37 0.28 -2.23 0.00 0.00 178.31 175.41 1fi9 h VAL 11 N 0.12 0.98 -0.01 1.41 2.07 -0.75 0.11 116.25 120.18 1fi9 h VAL 11 Ca 0.46 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1fi9 h VAL 11 Cb 0.85 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1fi9 h VAL 11 CO -0.69 0.37 -0.40 0.00 0.02 0.00 0.00 177.57 176.87 1fi9 n GLN 12 N -3.67 0.99 -0.00 1.57 1.13 0.13 -4.49 117.38 113.04 1fi9 n GLN 12 Ca -0.01 -0.73 -0.02 0.00 -1.94 0.00 0.00 57.00 54.30 1fi9 n GLN 12 Cb 0.47 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.36 0.05 0.00 -1.09 4.76 0.14 -5.02 118.16 116.64 1fi9 n LYS 13 Ca 0.10 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1fi9 n LYS 13 Cb 0.41 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 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 -1.60 0.00 -0.89 0.00 0.00 -0.61 -3.59 120.51 113.82 1fi9 n ALA 15 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1fi9 n ALA 15 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 1.79 0.00 0.00 1.13 -1.26 -3.06 117.38 115.97 1fi9 n GLN 16 Ca 0.00 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 1fi9 n GLN 16 Cb 0.00 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.42 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s HIS 18 N -0.94 1.81 -0.02 0.00 3.76 -1.17 -2.78 115.29 115.95 1fi9 s HIS 18 Ca 0.00 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1fi9 s HIS 18 Cb 0.00 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 1fi9 s HIS 18 CO 0.00 0.42 -0.02 2.41 -0.85 0.00 0.00 174.74 176.70 1fi9 n THR 19 N -0.42 0.09 -3.21 1.30 -1.04 -1.26 -4.20 114.28 105.55 1fi9 n THR 19 Ca -0.07 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.68 1fi9 n THR 19 Cb 0.60 -1.16 0.05 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.88 -2.28 -4.12 12.58 0.24 -1.26 -4.93 118.33 115.68 1fi9 n VAL 20 Ca -0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 1fi9 n VAL 20 Cb 0.53 -3.59 -0.07 0.00 -1.47 0.00 0.00 33.84 29.24 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 -5.90 1.59 0.00 7.34 4.04 -1.26 -3.58 118.70 120.92 1fi9 s GLU 21 Ca 0.39 -1.61 -0.02 0.00 0.04 0.00 0.00 54.97 53.77 1fi9 s GLU 21 Cb -0.17 0.39 -0.08 0.00 0.02 0.00 0.00 34.13 34.28 1fi9 s GLU 21 CO 0.49 -0.62 2.44 0.36 -1.84 0.00 0.00 175.26 176.09 1fi9 n LYS 22 N -0.44 1.27 -0.86 -4.83 0.00 -1.26 -3.09 118.16 108.95 1fi9 n LYS 22 Ca 0.01 -0.29 -0.00 0.00 -0.00 0.00 0.00 58.31 58.03 1fi9 n LYS 22 Cb 0.63 -1.29 -0.00 0.00 -0.00 0.00 0.00 35.03 34.37 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 1.80 -0.59 3.69 2.58 0.00 -1.26 -5.13 105.19 106.28 1fi9 n GLY 23 Ca 0.12 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1fi9 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fi9 s GLY 24 N -0.05 1.93 0.84 -0.02 0.00 -1.18 -5.01 107.32 103.83 1fi9 s GLY 24 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 44.72 45.37 1fi9 s GLY 24 CO -0.00 2.41 1.13 0.54 0.00 0.00 0.00 173.10 177.19 1fi9 s LYS 25 N 2.43 1.74 -0.90 2.90 1.02 -1.26 -4.54 119.74 121.13 1fi9 s LYS 25 Ca 0.61 0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 1fi9 s LYS 25 Cb -0.28 -1.90 0.26 0.00 -0.52 0.00 0.00 37.83 35.38 1fi9 s LYS 25 CO 0.24 -1.80 1.01 0.72 -0.92 0.00 0.00 175.35 174.61 1fi9 n HIS 26 N -3.50 3.54 0.00 3.18 8.25 -1.26 -4.22 115.22 121.20 1fi9 n HIS 26 Ca 0.07 -3.65 0.00 0.00 -0.26 0.00 0.00 57.72 53.88 1fi9 n HIS 26 Cb 0.59 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.64 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 1.64 0.00 0.03 -0.41 5.02 -1.26 -5.02 118.16 118.16 1fi9 n LYS 27 Ca 0.25 0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1fi9 n LYS 27 Cb 0.37 -0.28 -0.00 0.00 -0.02 0.00 0.00 35.03 35.10 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 -1.37 0.83 -2.87 -0.18 -1.04 -1.26 -5.04 114.28 103.34 1fi9 n THR 28 Ca 0.00 0.27 -0.38 0.00 -2.04 0.00 0.00 64.05 61.90 1fi9 n THR 28 Cb 0.00 -1.41 -0.06 0.00 -1.82 0.00 0.00 70.33 67.03 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 -3.68 2.89 0.77 3.41 0.00 -1.12 -5.05 107.32 104.54 1fi9 s GLY 29 Ca -0.01 0.46 -0.11 0.00 0.00 0.00 0.00 44.72 45.06 1fi9 s GLY 29 CO 0.01 0.94 1.08 2.56 0.00 0.00 0.00 173.10 177.69 1fi9 s PRO 30 N -1.59 2.33 -0.26 2.90 0.04 -1.26 -4.67 135.00 132.48 1fi9 s PRO 30 Ca 0.43 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 1fi9 s PRO 30 Cb -0.21 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1fi9 s PRO 30 CO 0.26 -1.56 2.22 1.21 0.04 0.00 0.00 177.00 179.17 1fi9 s ASN 31 N -3.54 5.36 0.00 6.66 2.47 -1.26 -4.62 114.94 120.01 1fi9 s ASN 31 Ca 0.60 1.76 -0.03 0.00 0.42 0.00 0.00 52.86 55.62 1fi9 s ASN 31 Cb -0.16 -2.51 -0.13 0.00 -1.45 0.00 0.00 41.25 37.00 1fi9 s ASN 31 CO 0.56 -2.05 2.69 0.18 -3.72 0.00 0.00 177.10 174.75 1fi9 n LEU 32 N 12.09 5.06 -4.51 3.21 4.77 -1.26 -4.84 117.00 131.53 1fi9 n LEU 32 Ca 0.30 -2.68 -0.43 0.00 -0.03 0.00 0.00 56.01 53.17 1fi9 n LEU 32 Cb 0.46 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 1fi9 n LEU 32 CO 0.67 1.28 0.40 -2.28 -1.33 0.00 0.00 177.39 176.13 1fi9 s HIS 33 N 0.58 3.04 0.00 -1.77 2.46 -1.26 -3.41 115.29 114.93 1fi9 s HIS 33 Ca 0.32 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.72 1fi9 s HIS 33 Cb 0.15 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 29.17 1fi9 s HIS 33 CO 0.00 -0.93 0.00 0.41 -2.47 0.00 0.00 174.74 171.75 1fi9 n GLY 34 N 5.06 0.53 0.40 1.59 0.00 0.12 -4.99 105.19 107.90 1fi9 n GLY 34 Ca -0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.42 -9.15 0.99 5.85 -1.79 -3.36 115.31 106.44 1fi9 h LEU 35 Ca 0.00 0.16 -0.56 0.00 0.84 0.00 0.00 57.88 58.32 1fi9 h LEU 35 Cb 0.94 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1fi9 h LEU 35 CO 0.00 -0.43 1.30 -0.36 -0.34 0.00 0.00 178.44 178.61 1fi9 s PHE 36 N -5.28 1.44 0.00 1.25 0.40 -1.26 -3.21 117.98 111.32 1fi9 s PHE 36 Ca -0.13 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1fi9 s PHE 36 Cb 0.06 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.52 1fi9 s PHE 36 CO 0.51 -4.44 0.00 0.41 0.70 0.00 0.00 175.22 172.40 1fi9 n GLY 37 N 4.98 0.53 1.43 4.36 0.00 -0.94 -4.91 105.19 110.65 1fi9 n GLY 37 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.96 0.21 -0.04 1.61 0.63 -1.20 -5.09 116.66 111.83 1fi9 n ARG 38 Ca 0.00 -1.55 0.01 0.00 -0.92 0.00 0.00 57.85 55.38 1fi9 n ARG 38 Cb 0.44 0.17 -0.00 0.00 0.45 0.00 0.00 32.46 33.52 1fi9 n ARG 38 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1fi9 n LYS 39 N 0.03 -0.08 -0.10 -0.14 4.76 -1.26 -4.45 118.16 116.92 1fi9 n LYS 39 Ca -0.12 0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 1fi9 n LYS 39 Cb 0.89 -0.10 -0.07 0.00 -1.84 0.00 0.00 35.03 33.91 1fi9 n LYS 39 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1fi9 n THR 40 N -1.60 1.39 -1.02 -0.18 -2.24 -0.08 -3.71 114.28 106.84 1fi9 n THR 40 Ca 0.00 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.45 1fi9 n THR 40 Cb 0.02 -1.99 -0.13 0.00 -2.10 0.00 0.00 70.33 66.13 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 1.55 3.19 2.44 3.38 0.00 -1.25 -4.21 105.19 110.29 1fi9 n GLY 41 Ca -0.35 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 2.79 1.17 -2.04 1.61 6.02 -1.26 -4.98 117.38 120.70 1fi9 n GLN 42 Ca 0.49 -3.39 -0.37 0.00 -0.01 0.00 0.00 57.00 53.72 1fi9 n GLN 42 Cb 0.72 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 30.48 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s ALA 43 N -2.81 2.79 -1.11 -1.58 0.00 -1.26 -4.89 121.76 112.90 1fi9 s ALA 43 Ca 0.34 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1fi9 s ALA 43 Cb 0.40 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 1fi9 s ALA 43 CO -0.03 -1.04 2.11 -0.35 0.00 0.00 0.00 175.76 176.45 1fi9 n PRO 44 N -1.02 2.21 0.00 0.00 -0.04 -1.26 -4.55 135.00 130.34 1fi9 n PRO 44 Ca 0.10 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1fi9 n PRO 44 Cb 0.48 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 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 4.27 0.92 2.65 0.55 0.00 -1.26 -4.95 105.19 107.36 1fi9 n GLY 45 Ca 0.52 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.09 1fi9 n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fi9 n PHE 46 N 0.00 0.54 -1.98 1.61 7.35 -1.26 -4.82 117.46 118.89 1fi9 n PHE 46 Ca 0.00 0.80 -0.42 0.00 -0.76 0.00 0.00 57.45 57.07 1fi9 n PHE 46 Cb 0.00 -1.58 -0.03 0.00 0.35 0.00 0.00 39.48 38.22 1fi9 n PHE 46 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1fi9 s THR 47 N 0.14 3.53 0.40 -2.13 2.01 -1.26 -4.86 115.64 113.48 1fi9 s THR 47 Ca 0.69 0.63 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1fi9 s THR 47 Cb -0.97 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1fi9 s THR 47 CO 0.44 -0.11 0.41 -0.72 -0.69 0.00 0.00 174.62 173.95 1fi9 s TYR 48 N 4.60 2.78 0.52 4.92 -0.85 -1.26 -5.12 117.35 122.93 1fi9 s TYR 48 Ca 0.76 -0.43 0.08 0.00 -0.52 0.00 0.00 57.07 56.96 1fi9 s TYR 48 Cb -0.32 -2.15 0.06 0.00 0.38 0.00 0.00 41.96 39.92 1fi9 s TYR 48 CO 0.31 -0.13 0.71 0.95 -1.52 0.00 0.00 175.55 175.86 1fi9 s THR 49 N -2.41 2.51 0.00 -3.49 -4.23 -1.26 -4.99 115.64 101.77 1fi9 s THR 49 Ca 0.48 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1fi9 s THR 49 Cb -0.05 -2.54 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 1fi9 s THR 49 CO 0.29 0.00 2.85 -0.90 -0.54 0.00 0.00 174.62 176.32 1fi9 n ASP 50 N -2.12 4.63 0.06 3.99 5.75 -1.26 -3.16 116.55 124.45 1fi9 n ASP 50 Ca 0.12 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1fi9 n ASP 50 Cb 0.60 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 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 2.29 1.35 -0.23 2.12 0.00 -1.26 -4.62 120.51 120.16 1fi9 n ALA 51 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.65 1fi9 n ALA 51 Cb 0.71 0.00 0.04 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 0.86 0.54 0.00 -1.24 -1.87 -0.99 115.58 112.88 1fi9 h ASN 52 Ca 0.00 -0.15 -0.26 0.00 0.71 0.00 0.00 56.30 56.61 1fi9 h ASN 52 Cb 0.00 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.83 1fi9 h ASN 52 CO 0.00 0.76 -1.15 0.50 -1.29 0.00 0.00 177.43 176.26 1fi9 h LYS 53 N 0.89 0.31 0.00 6.67 3.64 -1.85 -3.29 116.57 122.93 1fi9 h LYS 53 Ca 0.22 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1fi9 h LYS 53 Cb 0.15 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1fi9 h LYS 53 CO -0.02 1.18 0.00 -1.71 -2.27 0.00 0.00 179.45 176.62 1fi9 n ASN 54 N -3.60 0.00 0.01 4.20 2.85 -1.00 -4.04 115.26 113.68 1fi9 n ASN 54 Ca -0.08 -0.19 -0.12 0.00 -0.11 0.00 0.00 54.58 54.08 1fi9 n ASN 54 Cb 0.96 -0.20 -0.07 0.00 1.24 0.00 0.00 39.78 41.71 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 0.00 0.05 -3.55 1.20 3.64 -1.26 -3.48 116.57 113.17 1fi9 h LYS 55 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1fi9 h LYS 55 Cb 0.13 -0.01 0.07 0.00 -0.41 0.00 0.00 32.23 32.01 1fi9 h LYS 55 CO 0.00 0.17 -0.30 0.41 -2.27 0.00 0.00 179.45 177.46 1fi9 n GLY 56 N -0.72 0.14 1.10 5.01 0.00 -1.26 -5.06 105.19 104.40 1fi9 n GLY 56 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1fi9 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fi9 n ILE 57 N -2.17 0.00 -3.94 -0.61 -5.35 -1.26 -5.03 119.36 100.99 1fi9 n ILE 57 Ca -0.08 -0.51 -0.30 0.00 -0.27 0.00 0.00 62.75 61.59 1fi9 n ILE 57 Cb 0.56 0.34 -0.16 0.00 -1.74 0.00 0.00 39.64 38.64 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1fi9 s THR 58 N -2.59 1.42 -0.05 7.28 -4.23 -1.26 -0.90 115.64 115.29 1fi9 s THR 58 Ca 0.08 -0.93 -0.37 0.00 -1.18 0.00 0.00 61.69 59.29 1fi9 s THR 58 Cb -0.01 -1.58 -0.15 0.00 1.34 0.00 0.00 72.50 72.10 1fi9 s THR 58 CO 0.06 0.08 1.57 0.79 -0.54 0.00 0.00 174.62 176.58 1fi9 n TRP 59 N 4.75 1.89 -2.55 3.99 5.03 -1.24 -4.78 117.44 124.53 1fi9 n TRP 59 Ca -0.13 0.48 -0.02 0.00 3.03 0.00 0.00 57.50 60.86 1fi9 n TRP 59 Cb 0.46 -2.44 0.08 0.00 -1.03 0.00 0.00 31.31 28.38 1fi9 n TRP 59 CO 0.00 0.00 0.00 0.36 -0.03 0.00 0.00 177.69 178.02 1fi9 n LYS 60 N 4.12 0.92 0.00 -0.99 2.85 -1.26 -2.21 118.16 121.58 1fi9 n LYS 60 Ca 0.22 -0.89 0.00 0.00 -1.05 0.00 0.00 58.31 56.58 1fi9 n LYS 60 Cb 0.19 0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1fi9 n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1fi9 n GLU 61 N -1.05 0.00 -0.32 -1.58 0.00 -1.26 -4.53 120.64 111.90 1fi9 n GLU 61 Ca -0.14 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.29 1fi9 n GLU 61 Cb 0.76 0.00 0.52 0.00 0.00 0.00 0.00 31.44 32.72 1fi9 n GLU 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1fi9 h GLU 62 N 0.00 0.08 0.20 5.31 4.81 -1.96 0.51 114.58 123.53 1fi9 h GLU 62 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1fi9 h GLU 62 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1fi9 h GLU 62 CO 0.00 0.05 -0.09 1.15 -0.73 0.00 0.00 179.01 179.38 1fi9 h THR 63 N 0.08 0.00 -0.72 0.32 2.02 -1.86 -3.37 112.91 109.37 1fi9 h THR 63 Ca 0.78 -0.79 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1fi9 h THR 63 Cb 1.96 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1fi9 h THR 63 CO -0.75 0.00 0.49 0.17 0.37 0.00 0.00 175.52 175.80 1fi9 h LEU 64 N -1.05 0.27 -0.81 2.58 -0.00 -0.73 -2.24 115.31 113.33 1fi9 h LEU 64 Ca -0.03 0.02 0.10 0.00 -0.00 0.00 0.00 57.88 57.97 1fi9 h LEU 64 Cb 0.20 -0.04 -0.12 0.00 -0.00 0.00 0.00 40.66 40.71 1fi9 h LEU 64 CO 0.04 0.14 -0.39 0.23 -0.00 0.00 0.00 178.44 178.46 1fi9 n MET 65 N -4.44 -0.26 0.05 0.17 2.81 0.14 0.42 117.12 116.00 1fi9 n MET 65 Ca 0.14 1.24 -0.20 0.00 -1.81 0.00 0.00 57.70 57.07 1fi9 n MET 65 Cb 0.59 -1.83 -0.12 0.00 -0.71 0.00 0.00 33.22 31.14 1fi9 n MET 65 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1fi9 h GLU 66 N 0.00 0.54 -0.48 0.03 3.07 -1.62 -0.38 114.58 115.75 1fi9 h GLU 66 Ca 0.22 -0.66 0.01 0.00 -0.50 0.00 0.00 59.36 58.43 1fi9 h GLU 66 Cb 0.42 0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1fi9 h GLU 66 CO -0.79 1.27 0.32 -0.92 -1.40 0.00 0.00 179.01 177.49 1fi9 h TYR 67 N 0.10 0.57 0.03 4.33 3.20 -1.36 0.62 116.97 124.46 1fi9 h TYR 67 Ca -0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 1fi9 h TYR 67 Cb 1.66 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.73 1fi9 h TYR 67 CO 0.13 0.35 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.92 1fi9 h LEU 68 N 0.61 -0.03 -0.90 2.82 3.38 0.06 -0.38 115.31 120.87 1fi9 h LEU 68 Ca 0.18 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1fi9 h LEU 68 Cb -0.01 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1fi9 h LEU 68 CO -0.04 0.64 0.00 1.21 0.09 0.00 0.00 178.44 180.34 1fi9 n GLU 69 N -4.78 1.57 -2.66 1.13 4.07 -0.16 -4.39 120.64 115.41 1fi9 n GLU 69 Ca -0.09 -0.88 -0.03 0.00 -0.06 0.00 0.00 57.16 56.10 1fi9 n GLU 69 Cb 0.33 -1.19 0.11 0.00 -0.06 0.00 0.00 31.44 30.62 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1fi9 n ASN 70 N 0.21 -1.14 0.28 4.31 3.02 0.21 -4.78 115.26 117.37 1fi9 n ASN 70 Ca 0.08 -1.71 0.15 0.00 -0.03 0.00 0.00 54.58 53.08 1fi9 n ASN 70 Cb 0.21 0.98 0.84 0.00 -0.61 0.00 0.00 39.78 41.20 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 2.33 0.00 -1.53 3.52 0.13 -1.16 -2.89 132.00 132.40 1fi9 h PRO 71 Ca -0.31 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.11 1fi9 h PRO 71 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 1fi9 h PRO 71 CO -0.06 0.07 0.75 0.36 -0.23 0.00 0.00 178.00 178.88 1fi9 n LYS 72 N -3.50 2.83 0.07 0.86 0.00 -1.26 -4.49 118.16 112.67 1fi9 n LYS 72 Ca -0.02 -3.56 0.00 0.00 -0.00 0.00 0.00 58.31 54.74 1fi9 n LYS 72 Cb 0.19 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 32.95 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 -0.68 0.00 0.04 -1.58 0.00 -1.09 -4.76 118.16 110.09 1fi9 n LYS 73 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.76 1fi9 n LYS 73 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.45 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 -0.64 -1.14 5.64 -1.99 -1.79 -3.42 116.97 113.63 1fi9 h TYR 74 Ca 0.00 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 1fi9 h TYR 74 Cb 0.00 0.29 -0.21 0.00 2.00 0.00 0.00 36.73 38.81 1fi9 h TYR 74 CO 0.00 -0.33 -0.45 -1.50 -0.00 0.00 0.00 178.16 175.88 1fi9 s ILE 75 N -6.07 -0.91 -1.11 -2.88 1.10 -1.26 -5.07 121.20 104.98 1fi9 s ILE 75 Ca -0.15 -0.11 -0.19 0.00 -0.51 0.00 0.00 60.65 59.69 1fi9 s ILE 75 Cb 0.10 -0.47 -0.06 0.00 0.15 0.00 0.00 42.46 42.18 1fi9 s ILE 75 CO 0.66 -0.07 1.99 -0.81 -2.11 0.00 0.00 174.94 174.60 1fi9 n PRO 76 N 4.81 2.15 -2.81 3.50 -0.04 -1.26 -4.34 135.00 137.02 1fi9 n PRO 76 Ca 0.08 -2.37 -0.10 0.00 -0.04 0.00 0.00 63.50 61.07 1fi9 n PRO 76 Cb 0.54 -3.24 0.07 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.72 1.44 1.72 0.55 0.00 -1.26 -4.98 105.19 107.38 1fi9 n GLY 77 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.09 0.00 0.00 2.61 -1.04 -1.26 -4.62 114.28 110.06 1fi9 n THR 78 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1fi9 n THR 78 Cb 0.74 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.63 0.00 -2.87 -2.82 2.85 -1.26 -5.08 118.16 106.35 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 0.14 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.52 1fi9 n LYS 79 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1fi9 n MET 80 N 0.00 -1.17 -1.87 -1.58 2.81 -1.26 -5.07 117.12 108.98 1fi9 n MET 80 Ca 0.00 1.36 0.00 0.00 -1.81 0.00 0.00 57.70 57.25 1fi9 n MET 80 Cb 0.00 -5.24 0.00 0.00 -0.71 0.00 0.00 33.22 27.27 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1fi9 n ILE 81 N -1.70 0.00 -1.22 2.02 -5.35 -1.26 -5.07 119.36 106.77 1fi9 n ILE 81 Ca -0.00 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 1fi9 n ILE 81 Cb 0.50 -0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.33 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fi9 n PHE 82 N -0.00 -3.29 0.01 4.28 3.72 -1.26 -4.73 117.46 116.19 1fi9 n PHE 82 Ca 0.00 1.82 -0.02 0.00 -0.05 0.00 0.00 57.45 59.19 1fi9 n PHE 82 Cb 0.00 -2.98 -0.01 0.00 -0.94 0.00 0.00 39.48 35.56 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fi9 n ALA 83 N -3.79 2.69 0.00 4.37 0.00 -1.26 -5.00 120.51 117.52 1fi9 n ALA 83 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1fi9 n ALA 83 Cb 0.56 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 3.05 1.00 3.54 0.00 0.00 -1.26 -4.80 105.19 106.72 1fi9 n GLY 84 Ca -0.04 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1fi9 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fi9 s ILE 85 N -2.00 1.91 0.26 -0.61 -1.09 -1.26 -4.92 121.20 113.48 1fi9 s ILE 85 Ca 0.00 0.00 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 1fi9 s ILE 85 Cb 0.00 -2.25 0.38 0.00 -1.58 0.00 0.00 42.46 39.02 1fi9 s ILE 85 CO 0.00 0.00 1.58 0.11 -1.23 0.00 0.00 174.94 175.40 1fi9 h LYS 86 N -2.48 0.00 0.00 2.79 1.57 -2.01 -3.46 116.57 112.98 1fi9 h LYS 86 Ca -0.57 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.37 1fi9 h LYS 86 Cb 1.33 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1fi9 h LYS 86 CO 0.50 0.00 0.42 0.36 -0.57 0.00 0.00 179.45 180.17 1fi9 n LYS 87 N -5.56 0.05 -0.15 3.15 2.85 -1.26 -5.03 118.16 112.22 1fi9 n LYS 87 Ca 0.13 -0.29 -0.03 0.00 -1.05 0.00 0.00 58.31 57.07 1fi9 n LYS 87 Cb 0.45 0.52 0.05 0.00 -0.65 0.00 0.00 35.03 35.39 1fi9 n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1fi9 h LYS 88 N 0.00 0.10 0.00 -1.58 1.63 -1.98 -0.41 116.57 114.34 1fi9 h LYS 88 Ca -0.09 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1fi9 h LYS 88 Cb 0.52 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1fi9 h LYS 88 CO 0.13 0.07 -0.08 1.15 -3.45 0.00 0.00 179.45 177.27 1fi9 h THR 89 N 0.11 0.00 -0.80 1.00 2.02 -1.99 0.92 112.91 114.18 1fi9 h THR 89 Ca 0.23 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.56 1fi9 h THR 89 Cb 0.35 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.61 1fi9 h THR 89 CO -0.39 0.00 -0.29 -0.33 0.37 0.00 0.00 175.52 174.88 1fi9 h GLU 90 N -0.10 -0.05 -0.64 6.66 3.07 -1.93 0.97 114.58 122.57 1fi9 h GLU 90 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.00 1fi9 h GLU 90 Cb 0.11 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 27.93 1fi9 h GLU 90 CO -0.05 -0.03 0.07 -0.09 -1.40 0.00 0.00 179.01 177.51 1fi9 h ARG 91 N -0.05 0.18 0.16 2.33 9.65 -0.02 0.14 114.38 126.78 1fi9 h ARG 91 Ca 0.34 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 1fi9 h ARG 91 Cb 0.59 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1fi9 h ARG 91 CO -0.83 0.12 -0.08 1.49 2.80 0.00 0.00 179.97 183.47 1fi9 h GLU 92 N 0.19 -0.20 -0.59 0.20 4.22 0.27 -2.33 114.58 116.33 1fi9 h GLU 92 Ca 0.34 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.91 1fi9 h GLU 92 Cb 0.55 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 1fi9 h GLU 92 CO -0.49 0.20 -0.16 -0.44 -2.18 0.00 0.00 179.01 175.95 1fi9 h ASP 93 N -0.70 -0.58 -0.19 1.04 5.19 -0.44 0.16 116.42 120.89 1fi9 h ASP 93 Ca -0.02 0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 1fi9 h ASP 93 Cb 0.50 0.38 -0.06 0.00 0.18 0.00 0.00 39.33 40.33 1fi9 h ASP 93 CO 0.04 -0.20 -0.17 0.25 -3.12 0.00 0.00 179.24 176.03 1fi9 h LEU 94 N -0.01 -0.54 -0.67 1.55 6.46 -0.73 0.34 115.31 121.71 1fi9 h LEU 94 Ca 0.28 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 58.29 1fi9 h LEU 94 Cb 0.44 0.27 -0.10 0.00 -0.73 0.00 0.00 40.66 40.53 1fi9 h LEU 94 CO -0.61 -0.21 0.09 0.40 -0.62 0.00 0.00 178.44 177.48 1fi9 h ILE 95 N -0.19 0.51 -0.42 4.05 5.03 -0.54 -1.03 117.51 124.93 1fi9 h ILE 95 Ca 0.12 -0.07 0.08 0.00 -0.12 0.00 0.00 64.86 64.87 1fi9 h ILE 95 Cb 0.36 0.30 -0.07 0.00 -3.03 0.00 0.00 36.82 34.39 1fi9 h ILE 95 CO -0.30 0.04 0.01 0.00 -0.68 0.00 0.00 178.15 177.21 1fi9 h ALA 96 N 1.57 0.39 0.72 1.87 0.00 0.14 0.25 119.26 124.20 1fi9 h ALA 96 Ca 0.36 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1fi9 h ALA 96 Cb 0.59 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1fi9 h ALA 96 CO -0.51 -0.38 -0.48 -0.92 0.00 0.00 0.00 179.25 176.96 1fi9 h TYR 97 N 0.12 -1.28 -0.79 0.00 3.20 -1.04 -3.22 116.97 113.96 1fi9 h TYR 97 Ca 0.21 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.22 1fi9 h TYR 97 Cb 0.29 0.46 -0.15 0.00 1.54 0.00 0.00 36.73 38.88 1fi9 h TYR 97 CO -0.27 -0.70 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.25 1fi9 h LEU 98 N -1.13 -0.85 -0.91 2.82 4.07 -0.02 0.22 115.31 119.50 1fi9 h LEU 98 Ca -0.10 0.24 0.20 0.00 0.08 0.00 0.00 57.88 58.30 1fi9 h LEU 98 Cb 0.92 0.53 -0.17 0.00 1.08 0.00 0.00 40.66 43.01 1fi9 h LEU 98 CO 0.08 -0.27 -0.17 0.11 -1.08 0.00 0.00 178.44 177.10 1fi9 h LYS 99 N -0.02 0.01 0.10 1.13 1.57 -0.57 0.28 116.57 119.06 1fi9 h LYS 99 Ca 0.36 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1fi9 h LYS 99 Cb 0.58 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.91 1fi9 h LYS 99 CO -0.82 0.01 -0.59 0.87 -0.57 0.00 0.00 179.45 178.35 1fi9 h LYS 100 N 0.01 0.22 0.34 3.15 1.79 -0.77 -3.02 116.57 118.29 1fi9 h LYS 100 Ca 0.46 -0.37 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1fi9 h LYS 100 Cb 0.76 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1fi9 h LYS 100 CO -0.92 1.18 -0.17 0.00 -1.08 0.00 0.00 179.45 178.46 1fi9 h ALA 101 N 0.06 -0.46 -0.69 3.86 0.00 0.10 0.43 119.26 122.56 1fi9 h ALA 101 Ca -0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1fi9 h ALA 101 Cb 1.46 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1fi9 h ALA 101 CO 0.11 -0.75 0.25 1.79 0.00 0.00 0.00 179.25 180.64 1fi9 h THR 102 N -0.48 1.24 0.05 0.00 1.35 -0.53 -2.60 112.91 111.94 1fi9 h THR 102 Ca -0.05 -0.80 0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1fi9 h THR 102 Cb 0.36 0.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.20 1fi9 h THR 102 CO 0.08 0.32 -0.20 -1.13 -0.25 0.00 0.00 175.52 174.33 1fi9 h ASN 103 N 1.01 -0.58 0.00 5.36 -0.73 -1.31 0.35 115.58 119.67 1fi9 h ASN 103 Ca 0.23 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1fi9 h ASN 103 Cb 0.23 0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1fi9 h ASN 103 CO -0.01 -0.28 0.00 -0.62 -0.37 0.00 0.00 177.43 176.15