#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fl7 h ASP 6 N 0.00 0.81 -2.68 1.69 3.45 -2.08 -3.36 116.42 114.25 1fl7 h ASP 6 Ca 0.00 -0.12 -0.57 0.00 0.43 0.00 0.00 57.03 56.77 1fl7 h ASP 6 Cb 0.00 -0.21 -0.39 0.00 -0.56 0.00 0.00 39.33 38.17 1fl7 h ASP 6 CO 0.00 0.75 -0.82 0.00 -1.57 0.00 0.00 179.24 177.60 1fl7 n PRO 8 N 4.41 1.64 -1.81 0.00 -0.04 -1.26 -4.66 135.00 133.27 1fl7 n PRO 8 Ca 0.06 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 1fl7 n PRO 8 Cb 0.39 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1fl7 n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1fl7 s GLU 9 N -0.23 4.15 -0.37 0.54 2.12 -1.26 -0.55 118.70 123.10 1fl7 s GLU 9 Ca 0.72 2.52 -0.43 0.00 0.36 0.00 0.00 54.97 58.15 1fl7 s GLU 9 Cb -0.75 -3.07 -0.17 0.00 0.26 0.00 0.00 34.13 30.40 1fl7 s GLU 9 CO 0.49 -0.64 1.72 0.00 -0.54 0.00 0.00 175.26 176.30 1fl7 n THR 11 N 4.54 0.00 -3.33 0.00 -1.04 -0.62 -4.82 114.28 109.01 1fl7 n THR 11 Ca 0.30 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.05 61.19 1fl7 n THR 11 Cb 0.06 0.52 -0.06 0.00 -1.82 0.00 0.00 70.33 69.02 1fl7 n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fl7 s LEU 12 N 0.00 4.23 -0.01 -4.42 1.02 -1.26 -1.74 118.68 116.51 1fl7 s LEU 12 Ca 0.13 1.07 -0.06 0.00 0.02 0.00 0.00 54.13 55.28 1fl7 s LEU 12 Cb -0.01 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1fl7 s LEU 12 CO 0.09 -0.01 0.13 -1.10 0.02 0.00 0.00 176.35 175.48 1fl7 s GLN 13 N -2.43 0.38 0.14 1.70 -1.52 -0.26 -4.87 119.66 112.79 1fl7 s GLN 13 Ca 0.44 -0.22 -0.31 0.00 -1.95 0.00 0.00 55.36 53.32 1fl7 s GLN 13 Cb -0.13 0.16 -0.08 0.00 -0.22 0.00 0.00 33.01 32.74 1fl7 s GLN 13 CO 0.20 -0.08 1.35 -1.21 -0.25 0.00 0.00 175.29 175.29 1fl7 s GLU 14 N -0.93 4.35 -0.57 2.91 2.02 -1.26 -1.08 118.70 124.15 1fl7 s GLU 14 Ca -0.10 2.04 -0.20 0.00 0.02 0.00 0.00 54.97 56.73 1fl7 s GLU 14 Cb -0.06 -3.24 0.07 0.00 0.10 0.00 0.00 34.13 31.01 1fl7 s GLU 14 CO 0.01 -0.36 0.76 1.21 0.02 0.00 0.00 175.26 176.89 1fl7 s ASN 15 N 0.86 6.21 0.26 -0.19 3.04 -0.52 -4.92 114.94 119.68 1fl7 s ASN 15 Ca 0.62 -1.03 -0.02 0.00 0.04 0.00 0.00 52.86 52.46 1fl7 s ASN 15 Cb -0.36 -2.34 0.52 0.00 -1.54 0.00 0.00 41.25 37.53 1fl7 s ASN 15 CO 0.33 -1.12 1.72 1.55 -3.04 0.00 0.00 177.10 176.54 1fl7 h PRO 16 N 9.21 0.42 0.00 0.43 0.13 -1.93 0.22 132.00 140.48 1fl7 h PRO 16 Ca -0.28 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1fl7 h PRO 16 Cb 1.08 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1fl7 h PRO 16 CO 1.07 0.28 -0.00 0.74 -0.23 0.00 0.00 178.00 179.85 1fl7 h PHE 17 N 0.43 0.00 0.00 1.56 0.05 -1.98 -3.14 116.94 113.86 1fl7 h PHE 17 Ca 0.45 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.24 1fl7 h PHE 17 Cb 0.73 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.68 1fl7 h PHE 17 CO -0.17 0.00 0.00 1.19 -0.18 0.00 0.00 178.31 179.16 1fl7 n PHE 18 N -3.69 0.00 -1.31 -0.55 3.01 -0.84 -5.05 117.46 109.03 1fl7 n PHE 18 Ca -0.03 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.12 1fl7 n PHE 18 Cb 0.08 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.64 1fl7 n PHE 18 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1fl7 s SER 19 N -0.67 4.47 0.07 4.37 0.15 0.70 -4.83 113.70 117.96 1fl7 s SER 19 Ca 0.00 1.90 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 1fl7 s SER 19 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1fl7 s SER 19 CO 0.00 -2.06 0.23 -1.10 1.20 0.00 0.00 173.24 171.51 1fl7 s GLN 20 N -4.70 0.83 0.05 5.44 -0.21 -0.94 -4.96 119.66 115.17 1fl7 s GLN 20 Ca 0.63 -0.78 -0.37 0.00 0.02 0.00 0.00 55.36 54.85 1fl7 s GLN 20 Cb -0.19 0.35 -0.19 0.00 1.00 0.00 0.00 33.01 33.98 1fl7 s GLN 20 CO 0.53 -0.27 1.07 -2.30 -2.12 0.00 0.00 175.29 172.20 1fl7 n PRO 21 N 0.19 0.32 0.00 2.91 -0.02 -1.26 -1.62 135.00 135.52 1fl7 n PRO 21 Ca -0.17 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1fl7 n PRO 21 Cb 0.61 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1fl7 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fl7 n GLY 22 N 1.79 0.79 2.99 -1.23 0.00 -1.26 -4.78 105.19 103.49 1fl7 n GLY 22 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1fl7 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fl7 s ALA 23 N 0.00 3.28 1.00 4.61 0.00 -0.64 -5.09 121.76 124.92 1fl7 s ALA 23 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 48.83 1fl7 s ALA 23 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1fl7 s ALA 23 CO 0.00 -1.97 0.00 -2.30 0.00 0.00 0.00 175.76 171.49 1fl7 n PRO 24 N 3.40 1.85 -3.14 0.00 -0.02 -1.23 -2.22 135.00 133.65 1fl7 n PRO 24 Ca 0.05 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.58 1fl7 n PRO 24 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 1fl7 n PRO 24 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1fl7 s ILE 25 N 0.00 -0.34 0.65 4.25 2.07 -1.26 -4.57 121.20 122.00 1fl7 s ILE 25 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 1fl7 s ILE 25 Cb 0.00 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.25 1fl7 s ILE 25 CO 0.00 0.00 1.05 -0.76 -1.91 0.00 0.00 174.94 173.32 1fl7 s LEU 26 N 2.92 3.26 -0.06 8.50 1.43 -1.26 -1.44 118.68 132.03 1fl7 s LEU 26 Ca 0.26 1.64 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 1fl7 s LEU 26 Cb -0.03 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.71 1fl7 s LEU 26 CO -0.23 -1.28 0.24 -1.58 0.23 0.00 0.00 176.35 173.73 1fl7 s GLN 27 N -4.77 0.42 0.03 1.70 0.74 -0.24 -2.61 119.66 114.93 1fl7 s GLN 27 Ca 0.59 0.08 -0.21 0.00 0.05 0.00 0.00 55.36 55.87 1fl7 s GLN 27 Cb -0.14 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.10 1fl7 s GLN 27 CO 0.49 -0.08 0.63 0.00 -0.55 0.00 0.00 175.29 175.77 1fl7 s MET 29 N -0.40 0.63 0.00 0.00 0.23 -0.71 -4.87 119.30 114.19 1fl7 s MET 29 Ca 0.32 0.23 0.00 0.00 -1.03 0.00 0.00 55.69 55.21 1fl7 s MET 29 Cb -0.19 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.41 1fl7 s MET 29 CO 0.19 -0.18 0.00 0.41 -2.03 0.00 0.00 175.02 173.41 1fl7 n GLY 30 N 0.97 0.03 3.73 3.16 0.00 -1.26 -1.59 105.19 110.24 1fl7 n GLY 30 Ca -0.12 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 1fl7 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fl7 s PHE 33 N -1.23 2.85 0.24 0.00 5.36 -1.26 -4.94 117.98 119.00 1fl7 s PHE 33 Ca -0.13 1.54 -0.20 0.00 -0.96 0.00 0.00 56.93 57.18 1fl7 s PHE 33 Cb -0.06 -3.38 0.03 0.00 -0.34 0.00 0.00 43.02 39.28 1fl7 s PHE 33 CO 0.03 -1.52 0.64 0.45 -1.46 0.00 0.00 175.22 173.36 1fl7 s SER 34 N -1.39 -0.30 0.02 6.13 0.15 -1.26 -4.26 113.70 112.79 1fl7 s SER 34 Ca 0.64 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 56.49 1fl7 s SER 34 Cb -0.28 0.66 0.10 0.00 -1.71 0.00 0.00 66.02 64.79 1fl7 s SER 34 CO 0.34 -1.21 1.14 0.00 1.20 0.00 0.00 173.24 174.72 1fl7 s ARG 35 N -3.89 0.68 -0.04 5.44 1.70 -1.25 -5.01 118.95 116.57 1fl7 s ARG 35 Ca 0.10 -0.36 -0.04 0.00 -0.47 0.00 0.00 55.73 54.96 1fl7 s ARG 35 Cb -0.04 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1fl7 s ARG 35 CO 0.02 -0.31 0.12 0.00 -1.08 0.00 0.00 175.30 174.06 1fl7 s ALA 36 N -2.75 -0.31 0.16 7.88 0.00 -1.26 -0.68 121.76 124.80 1fl7 s ALA 36 Ca 0.12 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 1fl7 s ALA 36 Cb 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1fl7 s ALA 36 CO -0.02 -0.07 0.37 1.52 0.00 0.00 0.00 175.76 177.55 1fl7 s TYR 37 N -0.04 0.12 0.28 0.00 -0.85 -0.21 -5.00 117.35 111.64 1fl7 s TYR 37 Ca -0.01 -0.48 -0.30 0.00 -0.52 0.00 0.00 57.07 55.76 1fl7 s TYR 37 Cb -0.01 0.13 -0.12 0.00 0.38 0.00 0.00 41.96 42.34 1fl7 s TYR 37 CO 0.00 -0.76 1.57 -2.30 -1.52 0.00 0.00 175.55 172.54 1fl7 n PRO 38 N -0.24 2.61 -1.97 -3.49 -0.02 -1.26 -1.58 135.00 129.05 1fl7 n PRO 38 Ca -0.10 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 1fl7 n PRO 38 Cb 0.63 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1fl7 n PRO 38 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1fl7 s THR 39 N 0.02 2.92 0.97 3.45 2.01 -1.06 -4.78 115.64 119.17 1fl7 s THR 39 Ca 0.65 0.55 -0.11 0.00 0.31 0.00 0.00 61.69 63.08 1fl7 s THR 39 Cb -0.52 -3.35 0.17 0.00 0.01 0.00 0.00 72.50 68.81 1fl7 s THR 39 CO 0.48 0.02 1.09 -2.84 -0.69 0.00 0.00 174.62 172.68 1fl7 s PRO 40 N 1.81 0.63 0.03 4.92 0.02 -1.26 -4.84 135.00 136.30 1fl7 s PRO 40 Ca 0.71 1.07 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 1fl7 s PRO 40 Cb -0.41 -1.72 -0.17 0.00 0.02 0.00 0.00 34.50 32.22 1fl7 s PRO 40 CO 0.31 -2.75 1.41 1.25 -0.33 0.00 0.00 177.00 176.90 1fl7 h LEU 41 N -1.93 -0.18 -1.96 -5.54 5.85 -1.98 -2.78 115.31 106.80 1fl7 h LEU 41 Ca -0.51 -0.21 0.37 0.00 0.84 0.00 0.00 57.88 58.38 1fl7 h LEU 41 Cb 1.29 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 1fl7 h LEU 41 CO 0.49 0.11 0.92 -0.09 -0.34 0.00 0.00 178.44 179.53 1fl7 h ARG 42 N -0.48 0.02 0.08 1.25 2.43 -2.01 0.68 114.38 116.36 1fl7 h ARG 42 Ca -0.02 -0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 1fl7 h ARG 42 Cb 0.37 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1fl7 h ARG 42 CO 0.04 0.01 -1.90 -1.13 -1.51 0.00 0.00 179.97 175.48 1fl7 n SER 43 N -4.18 1.67 0.05 -3.80 3.41 -1.22 -3.31 113.62 106.24 1fl7 n SER 43 Ca 0.28 0.28 0.05 0.00 -0.26 0.00 0.00 58.87 59.23 1fl7 n SER 43 Cb 1.33 -0.57 0.26 0.00 -0.26 0.00 0.00 64.21 64.98 1fl7 n SER 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1fl7 n LYS 44 N -3.32 0.05 -0.07 4.33 4.81 0.14 -1.08 118.16 123.02 1fl7 n LYS 44 Ca -0.27 0.46 -0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1fl7 n LYS 44 Cb 1.05 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 34.44 1fl7 n LYS 44 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1fl7 h LYS 45 N 0.00 0.00 0.00 1.64 1.63 -1.38 -3.34 116.57 115.12 1fl7 h LYS 45 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1fl7 h LYS 45 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1fl7 h LYS 45 CO 0.00 0.01 0.02 2.41 -3.45 0.00 0.00 179.45 178.44 1fl7 n THR 46 N -4.63 1.73 -2.92 1.00 -1.04 -1.02 -4.01 114.28 103.39 1fl7 n THR 46 Ca -0.07 0.46 -0.44 0.00 -2.04 0.00 0.00 64.05 61.96 1fl7 n THR 46 Cb 0.24 -1.46 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 1fl7 n THR 46 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1fl7 s MET 47 N -2.86 3.93 0.53 -2.82 0.00 -0.25 -4.80 119.30 113.03 1fl7 s MET 47 Ca 0.00 -2.29 0.18 0.00 0.00 0.00 0.00 55.69 53.59 1fl7 s MET 47 Cb 0.00 -5.04 1.34 0.00 0.00 0.00 0.00 34.83 31.13 1fl7 s MET 47 CO 0.00 -1.79 2.14 -0.07 0.00 0.00 0.00 175.02 175.30 1fl7 h LEU 48 N 10.07 0.00 -6.77 4.11 3.38 -1.87 -2.25 115.31 121.98 1fl7 h LEU 48 Ca 0.27 0.00 -0.80 0.00 0.09 0.00 0.00 57.88 57.44 1fl7 h LEU 48 Cb 0.92 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.39 1fl7 h LEU 48 CO 1.21 0.00 0.77 1.33 0.09 0.00 0.00 178.44 181.84 1fl7 n VAL 49 N -4.45 5.37 -1.60 1.22 0.24 -1.26 -5.03 118.33 112.82 1fl7 n VAL 49 Ca -0.02 -5.93 -0.62 0.00 -2.04 0.00 0.00 64.34 55.74 1fl7 n VAL 49 Cb 0.14 -1.98 -0.09 0.00 -1.47 0.00 0.00 33.84 30.45 1fl7 n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fl7 n GLN 50 N 1.05 0.12 -4.22 7.34 0.00 -0.85 -5.00 117.38 115.82 1fl7 n GLN 50 Ca 0.30 0.04 -0.23 0.00 0.00 0.00 0.00 57.00 57.11 1fl7 n GLN 50 Cb 0.32 -1.56 -0.17 0.00 0.00 0.00 0.00 30.24 28.83 1fl7 n GLN 50 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1fl7 s LYS 51 N 1.18 1.19 0.43 2.61 3.01 -1.26 -5.05 119.74 121.84 1fl7 s LYS 51 Ca 0.96 -0.20 0.24 0.00 -1.01 0.00 0.00 55.97 55.95 1fl7 s LYS 51 Cb -1.32 -1.14 0.76 0.00 -1.01 0.00 0.00 37.83 35.12 1fl7 s LYS 51 CO 0.65 -0.10 1.76 -0.91 0.51 0.00 0.00 175.35 177.26 1fl7 h ASN 52 N 7.38 0.00 -2.85 2.83 2.35 -1.97 -3.44 115.58 119.88 1fl7 h ASN 52 Ca -0.33 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.92 1fl7 h ASN 52 Cb 1.16 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.39 1fl7 h ASN 52 CO 0.44 0.21 -0.74 -0.69 -1.65 0.00 0.00 177.43 175.00 1fl7 s VAL 53 N -3.48 1.98 -0.01 2.81 1.01 -1.26 -2.55 120.40 118.91 1fl7 s VAL 53 Ca 0.02 -2.27 0.02 0.00 0.00 0.00 0.00 61.98 59.75 1fl7 s VAL 53 Cb 0.09 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1fl7 s VAL 53 CO 0.65 -0.51 -0.06 -0.89 0.00 0.00 0.00 175.10 174.28 1fl7 s THR 54 N -2.82 0.54 -0.03 3.92 2.01 -0.61 -4.70 115.64 113.95 1fl7 s THR 54 Ca 0.25 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1fl7 s THR 54 Cb -0.02 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1fl7 s THR 54 CO 0.10 0.16 -0.14 -0.94 -0.69 0.00 0.00 174.62 173.11 1fl7 s SER 55 N 0.02 1.79 -0.95 3.53 1.04 -1.26 -1.05 113.70 116.82 1fl7 s SER 55 Ca 0.00 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 1fl7 s SER 55 Cb -0.05 -0.37 0.24 0.00 0.10 0.00 0.00 66.02 65.94 1fl7 s SER 55 CO -0.00 0.15 0.88 -0.62 0.98 0.00 0.00 173.24 174.62 1fl7 n GLU 56 N 3.00 2.88 -1.88 4.02 1.02 0.14 -5.00 120.64 124.82 1fl7 n GLU 56 Ca -0.17 -4.48 -0.36 0.00 -0.02 0.00 0.00 57.16 52.13 1fl7 n GLU 56 Cb 0.54 -2.44 0.05 0.00 -0.02 0.00 0.00 31.44 29.57 1fl7 n GLU 56 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1fl7 s SER 57 N 0.07 4.92 -0.42 1.62 1.04 -1.26 -3.82 113.70 115.85 1fl7 s SER 57 Ca 0.29 2.51 0.02 0.00 0.48 0.00 0.00 55.95 59.24 1fl7 s SER 57 Cb -0.07 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.63 1fl7 s SER 57 CO -0.11 -1.78 0.84 -0.89 0.98 0.00 0.00 173.24 172.28 1fl7 s THR 58 N -1.49 -0.69 0.60 2.02 2.01 -1.26 -4.70 115.64 112.13 1fl7 s THR 58 Ca 0.80 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 1fl7 s THR 58 Cb -0.34 0.00 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1fl7 s THR 58 CO 0.36 0.00 0.95 0.00 -0.69 0.00 0.00 174.62 175.24 1fl7 s VAL 61 N 1.62 0.09 0.33 0.00 -7.23 -0.77 -4.81 120.40 109.63 1fl7 s VAL 61 Ca 0.52 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.64 1fl7 s VAL 61 Cb -0.21 -0.54 -0.11 0.00 0.56 0.00 0.00 36.38 36.08 1fl7 s VAL 61 CO 0.23 -0.42 1.42 0.00 -0.31 0.00 0.00 175.10 176.02 1fl7 s ALA 62 N -1.65 3.57 -0.26 1.32 0.00 -1.26 -2.24 121.76 121.23 1fl7 s ALA 62 Ca -0.13 1.41 0.23 0.00 0.00 0.00 0.00 51.96 53.47 1fl7 s ALA 62 Cb -0.06 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1fl7 s ALA 62 CO 0.00 -0.84 1.00 1.17 0.00 0.00 0.00 175.76 177.09 1fl7 n LYS 63 N 1.10 0.57 -3.58 0.00 4.81 0.67 -4.86 118.16 116.87 1fl7 n LYS 63 Ca 0.02 0.08 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 1fl7 n LYS 63 Cb 0.40 -1.77 -0.06 0.00 0.02 0.00 0.00 35.03 33.63 1fl7 n LYS 63 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1fl7 s SER 64 N -5.11 -0.41 0.10 3.14 1.04 -1.23 -4.97 113.70 106.27 1fl7 s SER 64 Ca -0.01 0.52 -0.13 0.00 0.48 0.00 0.00 55.95 56.81 1fl7 s SER 64 Cb 0.11 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1fl7 s SER 64 CO 0.80 -0.33 0.32 -0.72 0.98 0.00 0.00 173.24 174.29 1fl7 s TYR 65 N -0.85 -0.08 -0.22 5.02 -0.85 -1.26 -1.24 117.35 117.87 1fl7 s TYR 65 Ca -0.02 -0.26 -0.18 0.00 -0.52 0.00 0.00 57.07 56.10 1fl7 s TYR 65 Cb -0.01 0.14 -0.14 0.00 0.38 0.00 0.00 41.96 42.32 1fl7 s TYR 65 CO 0.01 -0.63 -0.03 0.09 -1.52 0.00 0.00 175.55 173.47 1fl7 n ASN 66 N -0.08 1.88 -1.47 -0.18 5.03 -1.16 -4.91 115.26 114.37 1fl7 n ASN 66 Ca -0.16 0.43 0.00 0.00 0.87 0.00 0.00 54.58 55.72 1fl7 n ASN 66 Cb 0.63 -0.90 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 1fl7 n ASN 66 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1fl7 n ARG 67 N -4.41 0.00 -3.68 3.52 0.63 -1.26 -4.88 116.66 106.59 1fl7 n ARG 67 Ca -0.33 0.49 -0.23 0.00 -0.92 0.00 0.00 57.85 56.86 1fl7 n ARG 67 Cb 0.67 -0.98 -0.02 0.00 0.45 0.00 0.00 32.46 32.58 1fl7 n ARG 67 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1fl7 s VAL 68 N 0.00 2.29 -0.07 5.15 -7.23 -0.55 -4.91 120.40 115.08 1fl7 s VAL 68 Ca 0.00 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1fl7 s VAL 68 Cb 0.00 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1fl7 s VAL 68 CO 0.00 0.00 0.06 -0.89 -0.31 0.00 0.00 175.10 173.96 1fl7 s THR 69 N -2.59 4.75 0.17 5.32 2.01 -1.26 -1.70 115.64 122.34 1fl7 s THR 69 Ca 0.44 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1fl7 s THR 69 Cb -0.02 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1fl7 s THR 69 CO 0.26 0.53 0.11 0.68 -0.69 0.00 0.00 174.62 175.51 1fl7 s VAL 70 N -1.02 0.05 0.00 3.82 -7.23 -0.50 -4.98 120.40 110.55 1fl7 s VAL 70 Ca 0.17 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1fl7 s VAL 70 Cb -0.12 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1fl7 s VAL 70 CO 0.06 -0.24 0.00 0.80 -0.31 0.00 0.00 175.10 175.42 1fl7 n MET 71 N -0.18 0.00 0.00 4.82 0.00 -1.26 0.41 117.12 120.90 1fl7 n MET 71 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.68 1fl7 n MET 71 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.87 1fl7 n MET 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1fl7 n GLY 72 N -0.14 -0.03 2.37 -5.12 0.00 -1.26 -4.63 105.19 96.38 1fl7 n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fl7 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fl7 n GLY 73 N -0.74 0.88 3.91 -0.02 0.00 0.17 -5.03 105.19 104.35 1fl7 n GLY 73 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1fl7 n GLY 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fl7 s PHE 74 N -3.49 2.21 -0.14 1.61 -0.12 -1.22 -4.87 117.98 111.97 1fl7 s PHE 74 Ca 0.00 -0.63 -0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1fl7 s PHE 74 Cb 0.00 -2.10 -0.01 0.00 -0.63 0.00 0.00 43.02 40.28 1fl7 s PHE 74 CO 0.00 -0.37 -0.14 0.15 -0.05 0.00 0.00 175.22 174.82 1fl7 s LYS 75 N -4.25 3.31 0.33 1.99 1.02 -1.26 -1.40 119.74 119.48 1fl7 s LYS 75 Ca 0.46 -0.71 0.09 0.00 0.02 0.00 0.00 55.97 55.82 1fl7 s LYS 75 Cb -0.03 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1fl7 s LYS 75 CO 0.27 0.12 0.05 0.14 -0.92 0.00 0.00 175.35 175.01 1fl7 s VAL 76 N 0.59 2.85 -0.02 3.17 -7.23 -0.69 -4.95 120.40 114.12 1fl7 s VAL 76 Ca -0.08 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 57.99 1fl7 s VAL 76 Cb -0.16 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1fl7 s VAL 76 CO 0.03 -0.21 0.65 -1.61 -0.31 0.00 0.00 175.10 173.65 1fl7 s GLU 77 N -3.76 4.39 -0.81 4.82 2.02 -1.26 -1.48 118.70 122.62 1fl7 s GLU 77 Ca 0.35 0.82 -0.02 0.00 0.02 0.00 0.00 54.97 56.14 1fl7 s GLU 77 Cb -0.02 -3.38 0.20 0.00 0.10 0.00 0.00 34.13 31.03 1fl7 s GLU 77 CO 0.20 0.25 0.67 1.21 0.02 0.00 0.00 175.26 177.62 1fl7 s ASN 78 N 0.16 5.76 0.35 -0.19 2.47 -1.26 -4.83 114.94 117.39 1fl7 s ASN 78 Ca 0.34 -3.43 -0.26 0.00 0.42 0.00 0.00 52.86 49.93 1fl7 s ASN 78 Cb -0.18 -1.90 -0.13 0.00 -1.45 0.00 0.00 41.25 37.59 1fl7 s ASN 78 CO 0.18 -0.25 0.93 1.41 -3.72 0.00 0.00 177.10 175.65 1fl7 n HIS 79 N 2.73 0.93 0.00 0.43 8.25 -1.07 -3.01 115.22 123.48 1fl7 n HIS 79 Ca 0.17 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1fl7 n HIS 79 Cb 0.38 -2.20 0.00 0.00 1.12 0.00 0.00 29.99 29.29 1fl7 n HIS 79 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fl7 n THR 80 N -0.18 0.00 -3.68 1.59 -2.24 -0.38 -4.33 114.28 105.06 1fl7 n THR 80 Ca 0.10 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1fl7 n THR 80 Cb 0.35 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 1fl7 n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fl7 s ALA 81 N -1.11 -1.09 0.14 6.98 0.00 -1.25 -5.00 121.76 120.43 1fl7 s ALA 81 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1fl7 s ALA 81 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1fl7 s ALA 81 CO 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 175.76 175.42 1fl7 s HIS 83 N -3.66 -0.29 -0.64 0.00 -3.43 -0.95 -4.78 115.29 101.53 1fl7 s HIS 83 Ca 0.18 0.26 -0.24 0.00 -0.80 0.00 0.00 55.06 54.47 1fl7 s HIS 83 Cb 0.06 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.77 1fl7 s HIS 83 CO -0.00 -0.41 1.03 0.00 -2.00 0.00 0.00 174.74 173.36 1fl7 n SER 85 N 7.98 0.69 -4.80 0.00 2.88 -0.99 -4.92 113.62 114.46 1fl7 n SER 85 Ca -0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1fl7 n SER 85 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1fl7 n SER 85 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1fl7 s THR 86 N 1.21 3.89 -0.67 2.46 -4.23 -1.26 -2.73 115.64 114.31 1fl7 s THR 86 Ca 0.00 1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 61.38 1fl7 s THR 86 Cb 0.00 -3.47 0.04 0.00 1.34 0.00 0.00 72.50 70.42 1fl7 s THR 86 CO 0.00 -0.31 1.13 0.00 -0.54 0.00 0.00 174.62 174.90 1fl7 s TYR 88 N 4.90 3.03 0.70 0.00 -0.85 -1.26 -5.07 117.35 118.79 1fl7 s TYR 88 Ca 0.31 -0.17 -0.06 0.00 -0.52 0.00 0.00 57.07 56.63 1fl7 s TYR 88 Cb -0.11 -1.90 0.06 0.00 0.38 0.00 0.00 41.96 40.39 1fl7 s TYR 88 CO 0.15 0.09 1.00 0.71 -1.52 0.00 0.00 175.55 175.99 1fl7 s TYR 89 N 0.01 2.87 0.00 -3.49 1.51 -1.26 -5.14 117.35 111.85 1fl7 s TYR 89 Ca 0.01 0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 1fl7 s TYR 89 Cb -0.13 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1fl7 s TYR 89 CO 0.03 -1.39 0.25 0.72 -1.11 0.00 0.00 175.55 174.04