#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib7 s LYS 5 N 0.00 3.36 -0.46 1.45 -0.14 -1.26 -5.00 119.74 117.69 1ib7 s LYS 5 Ca 0.00 -0.64 -0.15 0.00 -1.36 0.00 0.00 55.97 53.81 1ib7 s LYS 5 Cb 0.00 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1ib7 s LYS 5 CO 0.00 -0.13 0.39 0.71 -0.76 0.00 0.00 175.35 175.55 1ib7 s TYR 6 N 1.29 3.24 0.17 3.18 2.02 -1.23 -0.38 117.35 125.63 1ib7 s TYR 6 Ca 0.03 -0.86 -0.06 0.00 -0.37 0.00 0.00 57.07 55.81 1ib7 s TYR 6 Cb -0.14 -3.09 -0.06 0.00 -0.40 0.00 0.00 41.96 38.27 1ib7 s TYR 6 CO -0.03 -0.77 0.42 0.71 -1.57 0.00 0.00 175.55 174.31 1ib7 s TYR 7 N 1.67 3.46 0.43 2.71 2.02 0.47 -4.64 117.35 123.47 1ib7 s TYR 7 Ca 0.04 0.62 -0.22 0.00 -0.37 0.00 0.00 57.07 57.15 1ib7 s TYR 7 Cb -0.23 -2.06 -0.10 0.00 -0.40 0.00 0.00 41.96 39.17 1ib7 s TYR 7 CO 0.07 0.39 1.00 0.95 -1.57 0.00 0.00 175.55 176.39 1ib7 s THR 8 N -1.71 4.04 0.52 -0.71 -4.23 -1.26 0.21 115.64 112.50 1ib7 s THR 8 Ca 0.42 1.37 0.28 0.00 -1.18 0.00 0.00 61.69 62.59 1ib7 s THR 8 Cb -0.12 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.40 1ib7 s THR 8 CO 0.24 -0.18 1.86 0.17 -0.54 0.00 0.00 174.62 176.17 1ib7 h LEU 9 N 2.04 0.00 -0.30 4.79 -0.00 -1.96 0.45 115.31 120.33 1ib7 h LEU 9 Ca -0.49 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.20 1ib7 h LEU 9 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1ib7 h LEU 9 CO 0.61 0.00 -0.61 -0.08 -0.00 0.00 0.00 178.44 178.36 1ib7 h GLU 10 N 0.00 0.79 0.00 0.17 4.81 -1.98 -3.28 114.58 115.09 1ib7 h GLU 10 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1ib7 h GLU 10 Cb 0.55 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ib7 h GLU 10 CO 0.00 1.17 0.00 -1.91 -0.73 0.00 0.00 179.01 177.54 1ib7 n GLU 11 N -3.97 0.00 -0.27 1.92 4.07 0.16 -1.66 120.64 120.88 1ib7 n GLU 11 Ca -0.05 0.73 -0.05 0.00 -0.06 0.00 0.00 57.16 57.73 1ib7 n GLU 11 Cb 0.66 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.56 1ib7 n GLU 11 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1ib7 n ILE 12 N -2.38 -0.42 -0.29 6.31 -0.00 -1.24 0.21 119.36 121.54 1ib7 n ILE 12 Ca 0.00 1.60 -0.01 0.00 -0.00 0.00 0.00 62.75 64.34 1ib7 n ILE 12 Cb 0.00 -2.03 0.05 0.00 -0.00 0.00 0.00 39.64 37.66 1ib7 n ILE 12 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1ib7 h GLN 13 N 0.00 -0.06 -0.90 6.28 1.08 -1.46 1.45 115.11 121.50 1ib7 h GLN 13 Ca 0.15 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.53 1ib7 h GLN 13 Cb 0.32 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 1ib7 h GLN 13 CO -0.64 -0.04 0.58 0.87 -0.95 0.00 0.00 178.83 178.65 1ib7 h LYS 14 N -0.06 0.55 -2.53 1.46 1.79 0.33 -1.81 116.57 116.30 1ib7 h LYS 14 Ca 0.32 -0.03 -0.74 0.00 -2.18 0.00 0.00 60.65 58.02 1ib7 h LYS 14 Cb 0.58 -0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 30.96 1ib7 h LYS 14 CO -0.83 0.37 2.11 0.72 -1.08 0.00 0.00 179.45 180.73 1ib7 n HIS 15 N -4.56 2.58 -0.58 -1.35 8.25 0.50 -4.40 115.22 115.65 1ib7 n HIS 15 Ca 0.19 -2.74 0.07 0.00 -0.26 0.00 0.00 57.72 54.98 1ib7 n HIS 15 Cb 0.57 -1.71 0.23 0.00 1.12 0.00 0.00 29.99 30.20 1ib7 n HIS 15 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ib7 n LYS 16 N 1.40 3.05 -4.57 -0.41 5.02 -0.68 -2.58 118.16 119.38 1ib7 n LYS 16 Ca 0.60 -2.51 -0.26 0.00 -2.02 0.00 0.00 58.31 54.11 1ib7 n LYS 16 Cb 0.26 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 1ib7 n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ib7 s ASP 17 N -1.37 3.47 0.18 4.39 1.11 -1.11 -4.96 116.67 118.38 1ib7 s ASP 17 Ca 0.35 -1.37 -0.13 0.00 0.18 0.00 0.00 52.55 51.58 1ib7 s ASP 17 Cb 0.24 -0.31 0.09 0.00 1.07 0.00 0.00 42.92 44.01 1ib7 s ASP 17 CO 0.14 -0.49 1.85 0.28 1.18 0.00 0.00 175.17 178.13 1ib7 h SER 18 N 1.87 0.68 -0.89 0.27 0.02 -1.96 -1.73 113.55 111.80 1ib7 h SER 18 Ca -0.43 -0.02 0.20 0.00 -0.84 0.00 0.00 61.79 60.69 1ib7 h SER 18 Cb 1.24 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 1ib7 h SER 18 CO 0.78 0.50 0.42 0.07 -1.14 0.00 0.00 176.83 177.46 1ib7 h LYS 19 N 0.80 0.47 -2.91 3.45 5.09 -1.96 -3.32 116.57 118.20 1ib7 h LYS 19 Ca 0.22 -0.03 -0.56 0.00 0.09 0.00 0.00 60.65 60.37 1ib7 h LYS 19 Cb -0.08 -0.11 -0.40 0.00 0.10 0.00 0.00 32.23 31.74 1ib7 h LYS 19 CO -0.05 0.31 -0.79 -1.12 -2.09 0.00 0.00 179.45 175.72 1ib7 s SER 20 N -5.26 3.51 -0.30 7.07 0.01 -0.70 -4.94 113.70 113.09 1ib7 s SER 20 Ca -0.12 -1.65 -0.06 0.00 1.31 0.00 0.00 55.95 55.43 1ib7 s SER 20 Cb 0.24 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1ib7 s SER 20 CO 0.78 -0.39 0.07 -0.89 0.41 0.00 0.00 173.24 173.22 1ib7 s THR 21 N 1.66 3.84 0.29 1.44 2.01 -0.91 -2.65 115.64 121.31 1ib7 s THR 21 Ca 0.12 -0.79 0.11 0.00 0.31 0.00 0.00 61.69 61.44 1ib7 s THR 21 Cb -0.18 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1ib7 s THR 21 CO -0.23 0.05 -0.16 0.26 -0.69 0.00 0.00 174.62 173.85 1ib7 s TRP 22 N 1.47 2.35 -0.30 4.92 0.52 -1.06 -2.42 118.94 124.41 1ib7 s TRP 22 Ca 0.02 -0.35 -0.08 0.00 0.02 0.00 0.00 56.10 55.71 1ib7 s TRP 22 Cb -0.17 -1.08 0.14 0.00 -1.15 0.00 0.00 33.47 31.21 1ib7 s TRP 22 CO 0.02 0.68 0.64 0.54 0.02 0.00 0.00 176.95 178.85 1ib7 s VAL 23 N -2.51 -1.00 -0.04 4.03 0.11 -1.21 -1.04 120.40 118.75 1ib7 s VAL 23 Ca 0.31 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1ib7 s VAL 23 Cb -0.04 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.76 1ib7 s VAL 23 CO 0.16 0.00 1.64 -0.63 -3.33 0.00 0.00 175.10 172.93 1ib7 s ILE 24 N 2.89 3.56 -0.10 7.04 1.01 -1.23 -0.34 121.20 134.04 1ib7 s ILE 24 Ca -0.00 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.37 1ib7 s ILE 24 Cb -0.13 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1ib7 s ILE 24 CO -0.19 -0.06 -0.10 -0.76 0.00 0.00 0.00 174.94 173.83 1ib7 s LEU 25 N 3.85 1.38 -1.26 2.97 1.02 0.22 -3.09 118.68 123.77 1ib7 s LEU 25 Ca 0.73 -0.32 -0.14 0.00 0.02 0.00 0.00 54.13 54.42 1ib7 s LEU 25 Cb -0.33 -0.87 0.02 0.00 0.02 0.00 0.00 46.19 45.03 1ib7 s LEU 25 CO 0.29 -0.06 0.27 0.00 0.02 0.00 0.00 176.35 176.87 1ib7 n HIS 26 N 4.56 -1.17 -3.51 0.29 1.44 -1.26 0.11 115.22 115.67 1ib7 n HIS 26 Ca -0.16 0.33 -0.19 0.00 -2.01 0.00 0.00 57.72 55.69 1ib7 n HIS 26 Cb 0.51 -2.50 0.07 0.00 0.12 0.00 0.00 29.99 28.19 1ib7 n HIS 26 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ib7 n HIS 27 N -4.43 -2.11 -3.16 -1.40 8.25 -1.26 -4.98 115.22 106.13 1ib7 n HIS 27 Ca -0.21 0.88 0.05 0.00 -0.26 0.00 0.00 57.72 58.18 1ib7 n HIS 27 Cb 0.57 -4.71 -0.02 0.00 1.12 0.00 0.00 29.99 26.96 1ib7 n HIS 27 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ib7 s LYS 28 N -5.50 0.29 0.37 -0.41 2.47 0.30 -4.61 119.74 112.66 1ib7 s LYS 28 Ca 0.06 0.51 -0.27 0.00 -1.56 0.00 0.00 55.97 54.71 1ib7 s LYS 28 Cb -0.01 0.28 -0.09 0.00 -1.46 0.00 0.00 37.83 36.55 1ib7 s LYS 28 CO 0.76 -0.31 1.25 0.14 0.16 0.00 0.00 175.35 177.36 1ib7 s VAL 29 N 2.92 2.86 -0.33 4.02 -7.23 -0.88 0.71 120.40 122.47 1ib7 s VAL 29 Ca 0.04 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 1ib7 s VAL 29 Cb -0.11 -3.47 0.08 0.00 0.56 0.00 0.00 36.38 33.43 1ib7 s VAL 29 CO -0.14 0.13 0.05 -0.31 -0.31 0.00 0.00 175.10 174.52 1ib7 s TYR 30 N -1.26 3.49 -1.12 2.82 1.51 0.54 -4.26 117.35 119.07 1ib7 s TYR 30 Ca 0.54 -2.41 -0.21 0.00 -1.01 0.00 0.00 57.07 53.98 1ib7 s TYR 30 Cb -0.36 -2.60 -0.06 0.00 -0.11 0.00 0.00 41.96 38.83 1ib7 s TYR 30 CO 0.46 -0.90 1.92 -0.40 -1.11 0.00 0.00 175.55 175.52 1ib7 n ASP 31 N 4.48 3.37 -2.29 2.29 5.75 -0.96 -3.31 116.55 125.88 1ib7 n ASP 31 Ca -0.06 -2.75 -0.28 0.00 -0.01 0.00 0.00 54.79 51.69 1ib7 n ASP 31 Cb 0.42 -1.57 0.04 0.00 -1.03 0.00 0.00 41.12 38.98 1ib7 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ib7 n LEU 32 N 10.59 7.05 -0.08 -2.12 -0.00 -1.02 -4.53 117.00 126.89 1ib7 n LEU 32 Ca 0.48 -3.99 -0.11 0.00 -0.00 0.00 0.00 56.01 52.39 1ib7 n LEU 32 Cb 0.44 -1.06 -0.04 0.00 -0.00 0.00 0.00 43.42 42.75 1ib7 n LEU 32 CO 0.81 1.47 0.77 0.74 -0.00 0.00 0.00 177.39 181.19 1ib7 h THR 33 N 1.32 1.25 -0.32 1.47 2.02 -1.83 0.32 112.91 117.14 1ib7 h THR 33 Ca 0.46 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.66 1ib7 h THR 33 Cb 0.72 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1ib7 h THR 33 CO 1.16 0.27 -0.26 0.50 0.37 0.00 0.00 175.52 177.56 1ib7 h LYS 34 N 0.18 0.73 -0.86 6.66 3.64 -1.88 -2.73 116.57 122.31 1ib7 h LYS 34 Ca 0.07 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1ib7 h LYS 34 Cb 0.38 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1ib7 h LYS 34 CO 0.01 0.98 0.10 0.98 -2.27 0.00 0.00 179.45 179.25 1ib7 n TYR 35 N -4.27 1.19 -0.03 1.91 9.36 -1.17 -4.12 117.16 120.04 1ib7 n TYR 35 Ca -0.03 -0.61 -0.15 0.00 3.32 0.00 0.00 57.90 60.43 1ib7 n TYR 35 Cb 0.45 -0.40 -0.11 0.00 -0.63 0.00 0.00 39.34 38.66 1ib7 n TYR 35 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ib7 h LEU 36 N 1.69 0.19 -0.05 2.98 7.12 -0.02 -2.54 115.31 124.68 1ib7 h LEU 36 Ca 0.10 -0.72 0.00 0.00 0.13 0.00 0.00 57.88 57.38 1ib7 h LEU 36 Cb 1.46 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.53 1ib7 h LEU 36 CO 0.34 0.89 -0.48 -0.62 -0.13 0.00 0.00 178.44 178.44 1ib7 n GLU 37 N -4.56 0.09 0.12 1.25 1.02 -1.26 -3.66 120.64 113.64 1ib7 n GLU 37 Ca -0.09 -0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.05 1ib7 n GLU 37 Cb 0.45 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.40 1ib7 n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ib7 h GLU 38 N 0.13 0.00 -6.28 3.49 4.22 -1.73 -3.46 114.58 110.95 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 0.08 0.00 0.00 59.36 58.77 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ib7 h GLU 38 CO 0.00 0.26 0.73 1.58 -2.18 0.00 0.00 179.01 179.40 1ib7 n HIS 39 N -3.02 1.91 0.12 0.92 -0.00 -0.96 -4.85 115.22 109.34 1ib7 n HIS 39 Ca -0.01 0.46 -0.02 0.00 0.46 0.00 0.00 57.72 58.61 1ib7 n HIS 39 Cb 0.69 -2.45 0.09 0.00 -0.12 0.00 0.00 29.99 28.20 1ib7 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ib7 h PRO 40 N 6.16 0.00 0.22 1.57 0.13 -1.91 -3.34 132.00 134.82 1ib7 h PRO 40 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1ib7 h PRO 40 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ib7 h PRO 40 CO 0.87 0.70 -0.10 0.78 -0.23 0.00 0.00 178.00 180.02 1ib7 h GLY 41 N 2.31 -0.30 -4.76 1.56 0.00 -1.99 -3.48 103.07 96.41 1ib7 h GLY 41 Ca -0.01 0.11 0.16 0.00 0.00 0.00 0.00 47.33 47.60 1ib7 h GLY 41 CO 0.09 -0.11 0.76 -0.32 0.00 0.00 0.00 176.54 176.96 1ib7 s GLY 42 N -1.64 -0.07 0.25 4.60 0.00 -1.26 -5.02 107.32 104.18 1ib7 s GLY 42 Ca -0.04 2.49 0.23 0.00 0.00 0.00 0.00 44.72 47.40 1ib7 s GLY 42 CO 0.13 1.12 1.17 1.05 0.00 0.00 0.00 173.10 176.56 1ib7 h GLU 43 N 2.36 0.00 0.00 2.90 4.11 -1.81 -3.36 114.58 118.78 1ib7 h GLU 43 Ca -0.14 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 1ib7 h GLU 43 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1ib7 h GLU 43 CO 0.26 0.00 -0.40 0.93 0.07 0.00 0.00 179.01 179.87 1ib7 h GLU 44 N 0.00 0.00 -1.68 1.06 4.39 -1.95 -2.67 114.58 113.72 1ib7 h GLU 44 Ca 0.00 0.00 0.49 0.00 0.34 0.00 0.00 59.36 60.19 1ib7 h GLU 44 Cb 0.99 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.57 1ib7 h GLU 44 CO 0.00 0.60 1.36 -0.24 -1.16 0.00 0.00 179.01 179.57 1ib7 h VAL 45 N -1.00 0.01 0.00 3.13 3.04 -1.97 2.31 116.25 121.77 1ib7 h VAL 45 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1ib7 h VAL 45 Cb 0.76 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1ib7 h VAL 45 CO -0.05 0.00 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.15 1ib7 h LEU 46 N 0.00 0.00 0.67 3.16 3.38 -1.71 -3.34 115.31 117.47 1ib7 h LEU 46 Ca 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.74 1ib7 h LEU 46 Cb 3.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 44.26 1ib7 h LEU 46 CO -0.01 0.63 -0.35 0.03 0.09 0.00 0.00 178.44 178.84 1ib7 h ARG 47 N -0.99 -0.90 -0.70 1.13 3.08 0.10 1.45 114.38 117.55 1ib7 h ARG 47 Ca 0.00 0.06 0.21 0.00 0.07 0.00 0.00 59.98 60.33 1ib7 h ARG 47 Cb 0.28 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.41 1ib7 h ARG 47 CO 0.00 -0.60 0.10 -1.91 -1.07 0.00 0.00 179.97 176.49 1ib7 n GLU 48 N -5.50 -0.05 -2.57 0.04 2.13 0.74 0.19 120.64 115.62 1ib7 n GLU 48 Ca -0.13 1.02 -0.16 0.00 0.66 0.00 0.00 57.16 58.55 1ib7 n GLU 48 Cb 0.39 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.45 1ib7 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ib7 n GLN 49 N -4.86 2.19 0.00 5.31 10.64 -0.99 -4.95 117.38 124.72 1ib7 n GLN 49 Ca 0.19 -3.79 0.00 0.00 -1.83 0.00 0.00 57.00 51.57 1ib7 n GLN 49 Cb 0.62 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 1ib7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ib7 n ALA 50 N -0.31 0.00 -0.51 2.61 0.00 0.49 -3.84 120.51 118.95 1ib7 n ALA 50 Ca 0.22 0.00 0.40 0.00 0.00 0.00 0.00 53.44 54.06 1ib7 n ALA 50 Cb 0.77 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.86 1ib7 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib7 n GLY 51 N 1.65 -0.78 0.00 0.00 0.00 -0.21 -3.90 105.19 101.95 1ib7 n GLY 51 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1ib7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ib7 n GLY 52 N -1.63 -3.63 2.84 -0.02 0.00 -1.25 -4.46 105.19 97.04 1ib7 n GLY 52 Ca 0.36 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1ib7 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ib7 s ASP 53 N -2.00 2.67 -0.18 1.61 2.15 -1.26 -3.47 116.67 116.20 1ib7 s ASP 53 Ca 0.00 -0.62 0.16 0.00 0.43 0.00 0.00 52.55 52.52 1ib7 s ASP 53 Cb 0.00 -0.77 0.43 0.00 -0.30 0.00 0.00 42.92 42.28 1ib7 s ASP 53 CO 0.00 -0.21 1.31 0.00 -0.17 0.00 0.00 175.17 176.10 1ib7 n ALA 54 N 4.95 3.01 0.15 3.66 0.00 -1.22 -4.76 120.51 126.30 1ib7 n ALA 54 Ca -0.10 -2.66 -0.15 0.00 0.00 0.00 0.00 53.44 50.53 1ib7 n ALA 54 Cb 0.48 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 1ib7 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ib7 h THR 55 N 0.93 0.00 -0.64 0.00 2.02 -1.92 0.91 112.91 114.22 1ib7 h THR 55 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 1ib7 h THR 55 Cb 1.28 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1ib7 h THR 55 CO 0.15 0.00 0.14 -0.33 0.37 0.00 0.00 175.52 175.85 1ib7 h GLU 56 N -0.73 1.03 0.00 6.66 5.08 -1.91 0.27 114.58 124.97 1ib7 h GLU 56 Ca -0.02 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ib7 h GLU 56 Cb 0.70 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ib7 h GLU 56 CO -0.19 0.93 0.00 -0.91 -1.00 0.00 0.00 179.01 177.85 1ib7 h ASN 57 N 0.94 0.00 0.06 1.42 4.21 -1.77 1.51 115.58 121.96 1ib7 h ASN 57 Ca 0.20 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.33 1ib7 h ASN 57 Cb 0.38 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 1ib7 h ASN 57 CO 0.00 0.00 -2.25 0.33 -1.29 0.00 0.00 177.43 174.22 1ib7 n PHE 58 N -2.60 0.59 0.10 1.19 -0.00 0.31 -3.88 117.46 113.16 1ib7 n PHE 58 Ca -0.01 0.12 -0.16 0.00 -0.00 0.00 0.00 57.45 57.41 1ib7 n PHE 58 Cb 0.12 -1.08 -0.11 0.00 -0.00 0.00 0.00 39.48 38.42 1ib7 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1ib7 h GLU 59 N 0.02 0.33 -0.68 -4.13 5.08 0.08 -3.06 114.58 112.21 1ib7 h GLU 59 Ca -0.51 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.40 1ib7 h GLU 59 Cb 1.96 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.33 1ib7 h GLU 59 CO -0.01 1.20 0.42 0.22 -1.00 0.00 0.00 179.01 179.84 1ib7 h ASP 60 N 0.12 0.69 0.82 1.42 3.58 0.19 0.22 116.42 123.47 1ib7 h ASP 60 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1ib7 h ASP 60 Cb 1.86 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1ib7 h ASP 60 CO 0.20 0.48 0.00 -0.37 -2.88 0.00 0.00 179.24 176.66 1ib7 h VAL 61 N 0.82 0.00 -5.25 2.25 -1.51 -1.67 -3.48 116.25 107.42 1ib7 h VAL 61 Ca 0.28 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1ib7 h VAL 61 Cb 0.03 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1ib7 h VAL 61 CO -0.11 0.00 -0.77 0.61 -1.23 0.00 0.00 177.57 176.07 1ib7 n GLY 62 N -0.05 -2.79 3.76 5.19 0.00 0.79 -4.92 105.19 107.17 1ib7 n GLY 62 Ca 0.01 0.84 -0.40 0.00 0.00 0.00 0.00 46.02 46.47 1ib7 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ib7 s HIS 63 N -2.07 3.30 0.80 1.61 3.76 -1.24 -5.02 115.29 116.44 1ib7 s HIS 63 Ca 0.12 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.47 1ib7 s HIS 63 Cb -0.03 -3.49 0.08 0.00 1.11 0.00 0.00 32.58 30.25 1ib7 s HIS 63 CO 0.77 -1.23 1.17 -1.12 -0.85 0.00 0.00 174.74 173.48 1ib7 s SER 64 N -0.67 4.52 0.22 1.40 0.01 -1.26 -4.89 113.70 113.03 1ib7 s SER 64 Ca 0.47 0.76 -0.08 0.00 1.31 0.00 0.00 55.95 58.41 1ib7 s SER 64 Cb -0.36 -1.26 0.33 0.00 0.21 0.00 0.00 66.02 64.94 1ib7 s SER 64 CO 0.47 -1.89 1.71 0.74 0.41 0.00 0.00 173.24 174.68 1ib7 h THR 65 N -1.03 0.65 -1.03 1.44 2.02 -2.00 0.13 112.91 113.09 1ib7 h THR 65 Ca -0.46 -0.11 0.38 0.00 0.77 0.00 0.00 66.41 67.00 1ib7 h THR 65 Cb 1.33 0.31 -0.16 0.00 -1.74 0.00 0.00 68.15 67.89 1ib7 h THR 65 CO 0.66 0.06 0.58 -0.78 0.37 0.00 0.00 175.52 176.41 1ib7 h ASP 66 N 0.32 0.39 -0.12 4.18 3.58 -2.01 1.29 116.42 124.05 1ib7 h ASP 66 Ca 0.34 0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.97 1ib7 h ASP 66 Cb 0.50 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 1ib7 h ASP 66 CO -0.40 -0.30 -0.07 0.00 -2.88 0.00 0.00 179.24 175.59 1ib7 h ALA 67 N 1.90 0.16 -1.00 -0.78 0.00 -1.10 -2.82 119.26 115.63 1ib7 h ALA 67 Ca 0.80 -0.27 0.37 0.00 0.00 0.00 0.00 54.91 55.81 1ib7 h ALA 67 Cb 2.06 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 19.63 1ib7 h ALA 67 CO -0.67 -0.03 0.39 -0.09 0.00 0.00 0.00 179.25 178.85 1ib7 h ARG 68 N -0.11 0.02 0.35 0.00 9.65 0.19 0.79 114.38 125.27 1ib7 h ARG 68 Ca 0.02 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1ib7 h ARG 68 Cb 0.55 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1ib7 h ARG 68 CO 0.02 0.01 -0.17 1.49 2.80 0.00 0.00 179.97 184.12 1ib7 h GLU 69 N 0.02 -0.45 0.11 0.20 4.81 -1.30 -2.83 114.58 115.14 1ib7 h GLU 69 Ca 0.77 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.04 1ib7 h GLU 69 Cb 1.93 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1ib7 h GLU 69 CO -0.81 -0.14 -0.23 -0.07 -0.73 0.00 0.00 179.01 177.03 1ib7 h LEU 70 N -0.96 -0.68 -0.71 1.64 4.07 -0.25 0.23 115.31 118.65 1ib7 h LEU 70 Ca -0.05 0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.07 1ib7 h LEU 70 Cb 0.52 0.24 -0.10 0.00 1.08 0.00 0.00 40.66 42.40 1ib7 h LEU 70 CO 0.08 -0.27 -0.34 -1.54 -1.08 0.00 0.00 178.44 175.29 1ib7 n SER 71 N -3.77 -0.60 0.02 -0.43 3.41 0.24 0.22 113.62 112.72 1ib7 n SER 71 Ca -0.04 1.25 -0.10 0.00 -0.26 0.00 0.00 58.87 59.71 1ib7 n SER 71 Cb 0.19 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1ib7 n SER 71 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ib7 h LYS 72 N 0.00 -0.16 -0.31 4.33 3.64 -1.18 -0.47 116.57 122.43 1ib7 h LYS 72 Ca 0.18 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1ib7 h LYS 72 Cb 0.36 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1ib7 h LYS 72 CO -0.68 -0.10 0.21 1.15 -2.27 0.00 0.00 179.45 177.75 1ib7 h THR 73 N -0.16 0.98 -1.23 1.00 2.02 0.55 -1.40 112.91 114.66 1ib7 h THR 73 Ca 0.06 -0.09 -0.70 0.00 0.77 0.00 0.00 66.41 66.46 1ib7 h THR 73 Cb 0.25 0.71 -0.29 0.00 -1.74 0.00 0.00 68.15 67.08 1ib7 h THR 73 CO -0.16 0.05 0.91 -1.22 0.37 0.00 0.00 175.52 175.47 1ib7 n TYR 74 N -4.49 3.18 -5.05 3.16 4.02 0.60 -4.93 117.16 113.65 1ib7 n TYR 74 Ca 0.03 -2.87 -0.32 0.00 -0.01 0.00 0.00 57.90 54.73 1ib7 n TYR 74 Cb 0.19 -1.39 -0.14 0.00 -0.02 0.00 0.00 39.34 37.99 1ib7 n TYR 74 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1ib7 s ILE 75 N -4.89 2.67 0.00 -0.72 2.07 -0.53 -2.27 121.20 117.53 1ib7 s ILE 75 Ca 0.62 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1ib7 s ILE 75 Cb 0.49 -2.00 0.00 0.00 0.13 0.00 0.00 42.46 41.08 1ib7 s ILE 75 CO -0.11 0.59 0.00 2.30 -1.91 0.00 0.00 174.94 175.81 1ib7 n ILE 76 N 2.37 0.00 -3.40 2.00 -0.00 -1.26 -4.96 119.36 114.11 1ib7 n ILE 76 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1ib7 n ILE 76 Cb 0.52 -0.59 0.00 0.00 -0.00 0.00 0.00 39.64 39.56 1ib7 n ILE 76 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ib7 n GLY 77 N 3.03 -1.00 3.61 3.28 0.00 -1.26 -4.61 105.19 108.25 1ib7 n GLY 77 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 1ib7 n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ib7 s GLU 78 N -0.79 1.96 0.14 1.61 -1.05 0.49 -2.07 118.70 118.98 1ib7 s GLU 78 Ca 0.00 -2.02 0.03 0.00 -0.15 0.00 0.00 54.97 52.83 1ib7 s GLU 78 Cb 0.00 -1.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.94 1ib7 s GLU 78 CO 0.00 0.00 0.23 -0.48 0.95 0.00 0.00 175.26 175.97 1ib7 s LEU 79 N -3.70 4.19 -0.52 1.83 -0.00 -1.26 -0.40 118.68 118.82 1ib7 s LEU 79 Ca 0.35 0.10 -0.37 0.00 -0.00 0.00 0.00 54.13 54.22 1ib7 s LEU 79 Cb 0.07 -2.78 -0.15 0.00 -0.00 0.00 0.00 46.19 43.32 1ib7 s LEU 79 CO 0.18 0.07 2.28 1.57 -0.00 0.00 0.00 176.35 180.46 1ib7 n HIS 80 N -0.36 1.26 1.33 3.48 -0.00 0.55 -4.68 115.22 116.80 1ib7 n HIS 80 Ca -0.07 0.44 0.12 0.00 -0.00 0.00 0.00 57.72 58.21 1ib7 n HIS 80 Cb 0.54 -2.44 0.66 0.00 -0.00 0.00 0.00 29.99 28.75 1ib7 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ib7 n PRO 81 N 8.09 0.58 0.09 1.57 -0.04 -1.26 -1.56 135.00 142.47 1ib7 n PRO 81 Ca 0.50 0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1ib7 n PRO 81 Cb 0.13 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 1ib7 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ib7 h ASP 82 N 0.00 0.30 0.00 3.54 3.58 -1.97 -3.29 116.42 118.57 1ib7 h ASP 82 Ca 0.00 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1ib7 h ASP 82 Cb 0.09 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1ib7 h ASP 82 CO 0.00 1.25 -1.88 0.47 -2.88 0.00 0.00 179.24 176.21 1ib7 n ASP 83 N -3.47 0.15 0.09 2.28 8.00 -1.06 -4.23 116.55 118.31 1ib7 n ASP 83 Ca -0.06 -0.12 0.06 0.00 0.71 0.00 0.00 54.79 55.38 1ib7 n ASP 83 Cb 1.00 1.88 0.50 0.00 -0.02 0.00 0.00 41.12 44.48 1ib7 n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ib7 h ARG 84 N 0.00 0.35 -1.26 -1.24 1.12 -1.36 -1.87 114.38 110.11 1ib7 h ARG 84 Ca 0.00 -0.02 -0.64 0.00 -1.11 0.00 0.00 59.98 58.21 1ib7 h ARG 84 Cb 0.93 -0.08 -0.35 0.00 -0.01 0.00 0.00 29.97 30.46 1ib7 h ARG 84 CO 0.00 0.23 0.09 0.43 -3.11 0.00 0.00 179.97 177.61 1ib7 n SER 85 N -4.50 6.24 -1.87 -3.80 7.64 -1.24 -4.72 113.62 111.37 1ib7 n SER 85 Ca 0.01 -3.77 -0.17 0.00 1.01 0.00 0.00 58.87 55.94 1ib7 n SER 85 Cb 0.08 -0.71 0.06 0.00 -1.01 0.00 0.00 64.21 62.63 1ib7 n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ib7 n LYS 86 N -0.68 1.85 -0.04 1.43 4.81 -0.70 -3.97 118.16 120.85 1ib7 n LYS 86 Ca 0.50 -1.75 -0.08 0.00 -0.87 0.00 0.00 58.31 56.11 1ib7 n LYS 86 Cb 0.65 -1.69 -0.14 0.00 0.02 0.00 0.00 35.03 33.87 1ib7 n LYS 86 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1ib7 n ILE 87 N 0.01 1.52 1.17 3.15 0.13 -1.26 -5.13 119.36 118.95 1ib7 n ILE 87 Ca 0.34 -0.81 0.09 0.00 -1.10 0.00 0.00 62.75 61.27 1ib7 n ILE 87 Cb 0.75 -0.85 0.55 0.00 -0.84 0.00 0.00 39.64 39.25 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35