#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 -0.26 1.45 -0.14 -1.26 -5.02 119.74 117.87 1ib7 s LYS 5 Ca 0.00 -0.65 -0.10 0.00 -1.36 0.00 0.00 55.97 53.86 1ib7 s LYS 5 Cb 0.00 -2.88 -0.05 0.00 -1.68 0.00 0.00 37.83 33.22 1ib7 s LYS 5 CO 0.00 -0.09 0.17 0.71 -0.76 0.00 0.00 175.35 175.38 1ib7 s TYR 6 N 1.16 3.25 0.07 3.18 2.02 -1.24 -0.98 117.35 124.81 1ib7 s TYR 6 Ca 0.02 0.13 0.05 0.00 -0.37 0.00 0.00 57.07 56.89 1ib7 s TYR 6 Cb -0.14 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1ib7 s TYR 6 CO -0.02 -0.07 -0.03 0.71 -1.57 0.00 0.00 175.55 174.57 1ib7 s TYR 7 N 1.42 2.94 0.60 2.71 2.02 -0.03 -4.71 117.35 122.30 1ib7 s TYR 7 Ca 0.07 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.58 1ib7 s TYR 7 Cb -0.15 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1ib7 s TYR 7 CO 0.08 0.45 1.05 0.95 -1.57 0.00 0.00 175.55 176.51 1ib7 s THR 8 N -1.23 3.95 -0.32 -0.71 -4.23 -1.26 0.21 115.64 112.04 1ib7 s THR 8 Ca 0.23 0.86 0.21 0.00 -1.18 0.00 0.00 61.69 61.81 1ib7 s THR 8 Cb -0.11 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.50 1ib7 s THR 8 CO 0.15 -0.60 1.63 0.00 -0.54 0.00 0.00 174.62 175.26 1ib7 n LEU 9 N -2.20 0.55 -0.01 4.79 -0.00 -1.26 -1.13 117.00 117.74 1ib7 n LEU 9 Ca 0.08 0.72 -0.06 0.00 -0.00 0.00 0.00 56.01 56.75 1ib7 n LEU 9 Cb 0.53 -0.75 0.13 0.00 -0.00 0.00 0.00 43.42 43.33 1ib7 n LEU 9 CO 0.49 -0.82 0.64 -0.33 -0.00 0.00 0.00 177.39 177.36 1ib7 h GLU 10 N 0.00 0.56 0.00 1.47 4.39 -1.99 -3.00 114.58 116.00 1ib7 h GLU 10 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1ib7 h GLU 10 Cb 0.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ib7 h GLU 10 CO 0.00 0.83 0.00 0.39 -1.16 0.00 0.00 179.01 179.07 1ib7 n GLU 11 N -4.06 0.00 -0.29 2.33 4.71 -0.28 -1.34 120.64 121.71 1ib7 n GLU 11 Ca -0.01 0.46 0.10 0.00 -0.01 0.00 0.00 57.16 57.70 1ib7 n GLU 11 Cb 0.48 -1.44 0.21 0.00 -1.01 0.00 0.00 31.44 29.68 1ib7 n GLU 11 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1ib7 n ILE 12 N -1.85 -0.35 0.00 -3.67 -0.00 -1.25 0.17 119.36 112.42 1ib7 n ILE 12 Ca 0.00 1.84 0.00 0.00 -0.00 0.00 0.00 62.75 64.59 1ib7 n ILE 12 Cb 0.00 -2.64 0.00 0.00 -0.00 0.00 0.00 39.64 37.00 1ib7 n ILE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ib7 n GLN 13 N -5.23 0.00 -0.18 6.28 1.13 -1.12 -2.00 117.38 116.27 1ib7 n GLN 13 Ca 0.18 0.11 0.29 0.00 -1.94 0.00 0.00 57.00 55.64 1ib7 n GLN 13 Cb 0.57 -0.94 0.61 0.00 0.11 0.00 0.00 30.24 30.59 1ib7 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1ib7 h LYS 14 N 0.00 0.00 -1.66 -1.09 2.10 -0.24 0.85 116.57 116.54 1ib7 h LYS 14 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1ib7 h LYS 14 Cb 0.00 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.11 1ib7 h LYS 14 CO 0.00 0.00 0.69 0.72 -2.00 0.00 0.00 179.45 178.86 1ib7 n HIS 15 N -3.55 2.34 -1.28 0.07 8.25 0.45 -4.35 115.22 117.16 1ib7 n HIS 15 Ca 0.21 -2.31 -0.04 0.00 -0.26 0.00 0.00 57.72 55.32 1ib7 n HIS 15 Cb 1.26 -1.26 0.22 0.00 1.12 0.00 0.00 29.99 31.33 1ib7 n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ib7 n LYS 16 N -0.04 2.32 -4.56 -0.41 4.81 0.30 -2.08 118.16 118.51 1ib7 n LYS 16 Ca 0.50 -3.07 -0.26 0.00 -0.87 0.00 0.00 58.31 54.61 1ib7 n LYS 16 Cb 0.50 -1.91 -0.11 0.00 0.02 0.00 0.00 35.03 33.53 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1ib7 s ASP 17 N -2.10 3.42 0.15 3.14 1.47 -1.21 -4.87 116.67 116.67 1ib7 s ASP 17 Ca 0.47 -1.35 -0.17 0.00 1.18 0.00 0.00 52.55 52.68 1ib7 s ASP 17 Cb 0.40 -0.30 0.04 0.00 -0.34 0.00 0.00 42.92 42.72 1ib7 s ASP 17 CO 0.05 -0.46 1.73 0.28 0.68 0.00 0.00 175.17 177.44 1ib7 h SER 18 N 1.91 -0.03 -0.95 2.11 0.02 -1.97 -1.53 113.55 113.11 1ib7 h SER 18 Ca -0.43 0.06 0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1ib7 h SER 18 Cb 1.24 0.08 -0.17 0.00 0.14 0.00 0.00 62.40 63.70 1ib7 h SER 18 CO 0.76 0.02 -0.30 0.50 -1.14 0.00 0.00 176.83 176.67 1ib7 h LYS 19 N 0.15 -0.01 -2.77 3.45 3.64 -1.96 -3.27 116.57 115.79 1ib7 h LYS 19 Ca 0.14 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.96 1ib7 h LYS 19 Cb 0.17 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.60 1ib7 h LYS 19 CO -0.21 -0.01 -0.81 -1.12 -2.27 0.00 0.00 179.45 175.04 1ib7 s SER 20 N -5.29 3.30 -0.37 4.20 0.01 -0.76 -4.93 113.70 109.86 1ib7 s SER 20 Ca -0.14 -1.88 -0.16 0.00 1.31 0.00 0.00 55.95 55.07 1ib7 s SER 20 Cb 0.23 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1ib7 s SER 20 CO 0.75 -0.36 0.40 -0.89 0.41 0.00 0.00 173.24 173.55 1ib7 s THR 21 N 1.40 5.13 0.23 1.44 2.01 -0.65 -3.30 115.64 121.90 1ib7 s THR 21 Ca 0.14 -0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.18 1ib7 s THR 21 Cb -0.20 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1ib7 s THR 21 CO -0.14 -0.22 -0.18 0.26 -0.69 0.00 0.00 174.62 173.65 1ib7 s TRP 22 N 2.09 2.39 -0.28 4.92 0.52 -0.88 -2.72 118.94 124.98 1ib7 s TRP 22 Ca 0.12 -0.31 -0.07 0.00 0.02 0.00 0.00 56.10 55.87 1ib7 s TRP 22 Cb -0.17 -1.11 0.14 0.00 -1.15 0.00 0.00 33.47 31.18 1ib7 s TRP 22 CO 0.12 0.60 0.58 0.54 0.02 0.00 0.00 176.95 178.81 1ib7 s VAL 23 N -2.05 -0.92 -0.20 4.03 0.11 -1.21 -0.92 120.40 119.23 1ib7 s VAL 23 Ca 0.26 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 1ib7 s VAL 23 Cb -0.07 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1ib7 s VAL 23 CO 0.14 0.00 1.95 -0.63 -3.33 0.00 0.00 175.10 173.23 1ib7 s ILE 24 N 2.82 3.27 -0.17 7.04 1.01 -1.23 -0.77 121.20 133.18 1ib7 s ILE 24 Ca 0.03 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1ib7 s ILE 24 Cb -0.13 -3.31 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1ib7 s ILE 24 CO -0.18 -0.16 -0.20 -0.76 0.00 0.00 0.00 174.94 173.64 1ib7 s LEU 25 N 6.68 2.10 -1.40 2.97 1.02 0.37 -3.65 118.68 126.77 1ib7 s LEU 25 Ca 0.87 -0.63 -0.16 0.00 0.02 0.00 0.00 54.13 54.23 1ib7 s LEU 25 Cb -0.30 -1.46 0.02 0.00 0.02 0.00 0.00 46.19 44.47 1ib7 s LEU 25 CO 0.34 0.01 0.30 1.41 0.02 0.00 0.00 176.35 178.43 1ib7 n HIS 26 N 4.57 -1.30 -3.56 0.29 8.25 -1.26 0.74 115.22 122.94 1ib7 n HIS 26 Ca -0.21 0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 57.42 1ib7 n HIS 26 Cb 0.50 -2.77 0.06 0.00 1.12 0.00 0.00 29.99 28.90 1ib7 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ib7 n HIS 27 N -4.82 -2.05 -3.15 4.41 8.25 -1.26 -4.97 115.22 111.62 1ib7 n HIS 27 Ca -0.23 0.88 0.05 0.00 -0.26 0.00 0.00 57.72 58.16 1ib7 n HIS 27 Cb 0.64 -4.69 -0.00 0.00 1.12 0.00 0.00 29.99 27.05 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 -5.65 0.28 0.44 -0.41 2.47 0.23 -4.64 119.74 112.46 1ib7 s LYS 28 Ca 0.02 0.35 -0.26 0.00 -1.56 0.00 0.00 55.97 54.52 1ib7 s LYS 28 Cb -0.00 0.17 -0.09 0.00 -1.46 0.00 0.00 37.83 36.45 1ib7 s LYS 28 CO 0.77 -0.46 1.43 0.14 0.16 0.00 0.00 175.35 177.40 1ib7 s VAL 29 N 2.92 2.09 -0.28 4.02 -7.23 -0.86 -0.47 120.40 120.59 1ib7 s VAL 29 Ca 0.17 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1ib7 s VAL 29 Cb -0.07 -3.05 0.05 0.00 0.56 0.00 0.00 36.38 33.88 1ib7 s VAL 29 CO -0.21 0.01 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.24 1ib7 s TYR 30 N -1.19 3.27 -1.24 2.82 1.51 0.05 -4.28 117.35 118.29 1ib7 s TYR 30 Ca 0.60 -2.08 -0.19 0.00 -1.01 0.00 0.00 57.07 54.39 1ib7 s TYR 30 Cb -0.44 -2.05 0.07 0.00 -0.11 0.00 0.00 41.96 39.44 1ib7 s TYR 30 CO 0.57 -0.84 1.67 0.34 -1.11 0.00 0.00 175.55 176.18 1ib7 s ASP 31 N 1.19 6.79 -0.71 2.29 2.15 -0.76 -3.32 116.67 124.31 1ib7 s ASP 31 Ca -0.07 -2.30 -0.02 0.00 0.43 0.00 0.00 52.55 50.59 1ib7 s ASP 31 Cb -0.20 -2.57 0.40 0.00 -0.30 0.00 0.00 42.92 40.26 1ib7 s ASP 31 CO -0.03 -1.21 2.05 0.00 -0.17 0.00 0.00 175.17 175.82 1ib7 n LEU 32 N 8.34 7.59 -0.03 -1.34 -0.00 -1.10 -4.63 117.00 125.82 1ib7 n LEU 32 Ca 0.45 -4.41 -0.10 0.00 -0.00 0.00 0.00 56.01 51.95 1ib7 n LEU 32 Cb 0.47 -1.01 -0.04 0.00 -0.00 0.00 0.00 43.42 42.83 1ib7 n LEU 32 CO 0.74 1.55 0.93 0.74 -0.00 0.00 0.00 177.39 181.35 1ib7 h THR 33 N 1.32 1.07 -0.31 1.47 2.02 -1.86 0.52 112.91 117.13 1ib7 h THR 33 Ca 0.58 -0.15 -0.18 0.00 0.77 0.00 0.00 66.41 67.43 1ib7 h THR 33 Cb 0.58 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1ib7 h THR 33 CO 1.51 0.06 -0.51 0.11 0.37 0.00 0.00 175.52 177.06 1ib7 h LYS 34 N 0.21 0.89 -0.92 6.66 6.56 -1.90 -2.85 116.57 125.23 1ib7 h LYS 34 Ca 0.06 -0.55 -0.15 0.00 -1.06 0.00 0.00 60.65 58.95 1ib7 h LYS 34 Cb 0.01 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 31.63 1ib7 h LYS 34 CO -0.01 1.19 0.20 0.98 -2.06 0.00 0.00 179.45 179.74 1ib7 n TYR 35 N -4.03 1.34 -0.07 -1.35 9.36 -1.05 -4.10 117.16 117.26 1ib7 n TYR 35 Ca -0.04 -0.85 -0.16 0.00 3.32 0.00 0.00 57.90 60.18 1ib7 n TYR 35 Cb 0.61 -0.48 -0.13 0.00 -0.63 0.00 0.00 39.34 38.71 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 1.41 0.01 -0.30 2.98 7.12 0.28 -3.03 115.31 123.77 1ib7 h LEU 36 Ca 0.19 -0.90 0.00 0.00 0.13 0.00 0.00 57.88 57.30 1ib7 h LEU 36 Cb 1.66 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.79 1ib7 h LEU 36 CO 0.43 1.11 -0.35 -1.84 -0.13 0.00 0.00 178.44 177.66 1ib7 n GLU 37 N -4.56 0.52 0.09 1.25 0.28 -1.26 -3.64 120.64 113.33 1ib7 n GLU 37 Ca -0.15 -0.30 0.06 0.00 -0.16 0.00 0.00 57.16 56.61 1ib7 n GLU 37 Cb 0.53 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.89 1ib7 n GLU 37 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ib7 h GLU 38 N 0.74 0.00 -6.28 3.44 5.08 -1.71 -3.47 114.58 112.38 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 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 0.18 0.68 1.58 -1.00 0.00 0.00 179.01 180.45 1ib7 n HIS 39 N -2.88 1.85 0.13 4.33 -0.00 -1.15 -4.85 115.22 112.66 1ib7 n HIS 39 Ca -0.03 0.49 -0.01 0.00 0.46 0.00 0.00 57.72 58.63 1ib7 n HIS 39 Cb 0.69 -2.43 0.12 0.00 -0.12 0.00 0.00 29.99 28.24 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 5.86 0.00 0.09 1.57 0.13 -1.92 -3.35 132.00 134.37 1ib7 h PRO 40 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.86 0.66 -0.04 0.78 -0.23 0.00 0.00 178.00 180.02 1ib7 h GLY 41 N 2.35 -0.12 -4.70 1.56 0.00 -1.99 -3.49 103.07 96.68 1ib7 h GLY 41 Ca -0.01 0.04 0.16 0.00 0.00 0.00 0.00 47.33 47.53 1ib7 h GLY 41 CO 0.09 -0.04 0.76 -0.32 0.00 0.00 0.00 176.54 177.02 1ib7 s GLY 42 N -1.47 -0.08 0.10 4.60 0.00 -1.26 -5.03 107.32 104.18 1ib7 s GLY 42 Ca -0.02 2.45 0.14 0.00 0.00 0.00 0.00 44.72 47.29 1ib7 s GLY 42 CO 0.05 1.07 1.01 1.05 0.00 0.00 0.00 173.10 176.28 1ib7 h GLU 43 N 2.30 0.00 0.09 2.90 4.11 -1.82 -3.36 114.58 118.80 1ib7 h GLU 43 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 1ib7 h GLU 43 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ib7 h GLU 43 CO 0.26 0.49 -0.04 0.93 0.07 0.00 0.00 179.01 180.72 1ib7 h GLU 44 N 0.00 -0.12 -1.79 1.06 5.08 -1.96 -1.84 114.58 115.02 1ib7 h GLU 44 Ca -0.13 0.01 0.52 0.00 -1.00 0.00 0.00 59.36 58.76 1ib7 h GLU 44 Cb 1.65 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.86 1ib7 h GLU 44 CO 0.07 0.35 1.39 1.55 -1.00 0.00 0.00 179.01 181.37 1ib7 n VAL 45 N -4.82 0.00 -0.07 3.13 3.14 -1.26 0.28 118.33 118.73 1ib7 n VAL 45 Ca -0.06 1.44 -0.06 0.00 -2.96 0.00 0.00 64.34 62.69 1ib7 n VAL 45 Cb 0.26 -2.43 -0.03 0.00 -1.06 0.00 0.00 33.84 30.57 1ib7 n VAL 45 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ib7 h LEU 46 N 0.00 0.00 0.74 6.55 3.38 -1.69 -3.34 115.31 120.95 1ib7 h LEU 46 Ca 0.85 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.63 1ib7 h LEU 46 Cb 3.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 44.37 1ib7 h LEU 46 CO -0.01 0.79 -0.36 0.03 0.09 0.00 0.00 178.44 178.99 1ib7 h ARG 47 N -1.00 -0.96 -0.68 1.13 3.08 0.89 0.81 114.38 117.66 1ib7 h ARG 47 Ca -0.05 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.28 1ib7 h ARG 47 Cb 0.49 0.22 -0.12 0.00 0.08 0.00 0.00 29.97 30.63 1ib7 h ARG 47 CO -0.03 -0.62 0.11 -1.91 -1.07 0.00 0.00 179.97 176.45 1ib7 n GLU 48 N -5.49 -0.05 -2.68 0.04 2.13 0.78 0.20 120.64 115.57 1ib7 n GLU 48 Ca -0.14 0.99 -0.18 0.00 0.66 0.00 0.00 57.16 58.49 1ib7 n GLU 48 Cb 0.41 -1.63 0.01 0.00 0.27 0.00 0.00 31.44 30.49 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 -4.81 2.12 0.00 5.31 10.64 -1.07 -4.94 117.38 124.63 1ib7 n GLN 49 Ca 0.18 -3.86 0.00 0.00 -1.83 0.00 0.00 57.00 51.50 1ib7 n GLN 49 Cb 0.61 -1.74 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 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 -0.19 0.00 -0.63 2.61 0.00 0.28 -4.03 120.51 118.55 1ib7 n ALA 50 Ca 0.23 0.00 0.49 0.00 0.00 0.00 0.00 53.44 54.16 1ib7 n ALA 50 Cb 0.71 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.93 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 2.25 -0.94 0.00 0.00 0.00 -0.10 -3.84 105.19 102.56 1ib7 n GLY 51 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.78 -3.55 2.76 -0.02 0.00 -1.26 -4.49 105.19 96.85 1ib7 n GLY 52 Ca 0.43 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1ib7 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ib7 s ASP 53 N -1.99 2.87 -0.31 1.61 -4.77 -1.26 -3.46 116.67 109.36 1ib7 s ASP 53 Ca 0.00 -0.78 0.09 0.00 -3.30 0.00 0.00 52.55 48.56 1ib7 s ASP 53 Cb 0.00 -0.63 0.54 0.00 -1.09 0.00 0.00 42.92 41.74 1ib7 s ASP 53 CO 0.00 -0.29 1.55 0.00 0.70 0.00 0.00 175.17 177.13 1ib7 n ALA 54 N 5.03 4.40 0.01 2.11 0.00 -1.24 -4.75 120.51 126.07 1ib7 n ALA 54 Ca -0.09 -2.99 -0.01 0.00 0.00 0.00 0.00 53.44 50.35 1ib7 n ALA 54 Cb 0.47 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.14 0.00 -0.72 0.00 2.02 -1.94 0.52 112.91 113.93 1ib7 h THR 55 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1ib7 h THR 55 Cb 1.86 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1ib7 h THR 55 CO 0.50 0.00 0.44 -0.33 0.37 0.00 0.00 175.52 176.50 1ib7 h GLU 56 N -0.04 0.97 0.00 6.66 3.07 -1.93 0.30 114.58 123.61 1ib7 h GLU 56 Ca -0.00 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1ib7 h GLU 56 Cb 0.03 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1ib7 h GLU 56 CO 0.00 0.68 -0.05 -0.91 -1.40 0.00 0.00 179.01 177.32 1ib7 h ASN 57 N 0.99 0.00 0.12 1.42 2.35 -1.83 1.86 115.58 120.49 1ib7 h ASN 57 Ca 0.26 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.64 1ib7 h ASN 57 Cb -0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1ib7 h ASN 57 CO -0.05 0.05 -2.03 0.33 -1.65 0.00 0.00 177.43 174.09 1ib7 n PHE 58 N -3.62 1.19 0.08 1.19 -0.00 0.18 -3.71 117.46 112.77 1ib7 n PHE 58 Ca -0.02 0.25 -0.13 0.00 -0.00 0.00 0.00 57.45 57.55 1ib7 n PHE 58 Cb 0.16 -1.16 -0.06 0.00 -0.00 0.00 0.00 39.48 38.43 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 0.07 0.37 -0.71 -4.13 5.08 -0.00 -2.99 114.58 112.26 1ib7 h GLU 59 Ca -0.43 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 57.54 1ib7 h GLU 59 Cb 2.03 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.36 1ib7 h GLU 59 CO 0.08 1.11 0.43 0.22 -1.00 0.00 0.00 179.01 179.85 1ib7 h ASP 60 N 0.19 0.68 0.85 1.42 3.58 0.27 0.30 116.42 123.71 1ib7 h ASP 60 Ca -0.09 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1ib7 h ASP 60 Cb 1.63 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.55 1ib7 h ASP 60 CO 0.17 0.46 0.00 -0.37 -2.88 0.00 0.00 179.24 176.61 1ib7 h VAL 61 N 0.81 0.00 -5.29 2.25 -1.51 -1.63 -3.48 116.25 107.41 1ib7 h VAL 61 Ca 0.30 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1ib7 h VAL 61 Cb 0.09 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1ib7 h VAL 61 CO -0.14 0.00 -0.78 0.61 -1.23 0.00 0.00 177.57 176.04 1ib7 n GLY 62 N 0.14 -2.69 3.76 5.19 0.00 0.11 -4.92 105.19 106.78 1ib7 n GLY 62 Ca 0.02 0.84 -0.41 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.06 3.27 0.78 1.61 3.76 -1.24 -5.02 115.29 116.39 1ib7 s HIS 63 Ca 0.13 1.53 -0.10 0.00 -0.15 0.00 0.00 55.06 56.46 1ib7 s HIS 63 Cb -0.03 -3.52 0.07 0.00 1.11 0.00 0.00 32.58 30.22 1ib7 s HIS 63 CO 0.76 -1.32 1.13 -1.12 -0.85 0.00 0.00 174.74 173.34 1ib7 s SER 64 N -0.62 4.60 0.21 1.40 0.01 -1.26 -4.90 113.70 113.13 1ib7 s SER 64 Ca 0.47 0.68 -0.11 0.00 1.31 0.00 0.00 55.95 58.30 1ib7 s SER 64 Cb -0.36 -1.22 0.28 0.00 0.21 0.00 0.00 66.02 64.93 1ib7 s SER 64 CO 0.48 -1.81 1.68 0.74 0.41 0.00 0.00 173.24 174.74 1ib7 h THR 65 N -0.92 0.57 -1.00 1.44 2.02 -2.00 0.18 112.91 113.21 1ib7 h THR 65 Ca -0.45 -0.06 0.39 0.00 0.77 0.00 0.00 66.41 67.05 1ib7 h THR 65 Cb 1.33 0.38 -0.17 0.00 -1.74 0.00 0.00 68.15 67.95 1ib7 h THR 65 CO 0.64 0.03 0.54 0.44 0.37 0.00 0.00 175.52 177.55 1ib7 h ASP 66 N 0.17 0.37 -0.10 4.18 3.32 -2.01 1.38 116.42 123.74 1ib7 h ASP 66 Ca 0.31 0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.58 1ib7 h ASP 66 Cb 0.48 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1ib7 h ASP 66 CO -0.46 -0.34 -0.01 0.00 -1.72 0.00 0.00 179.24 176.71 1ib7 h ALA 67 N 1.95 0.13 -1.23 3.45 0.00 -0.99 -2.63 119.26 119.94 1ib7 h ALA 67 Ca 0.81 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.89 1ib7 h ALA 67 Cb 2.05 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.71 1ib7 h ALA 67 CO -0.72 -0.17 0.82 0.00 0.00 0.00 0.00 179.25 179.19 1ib7 h ARG 68 N -0.12 0.17 0.27 0.00 3.08 0.21 0.85 114.38 118.84 1ib7 h ARG 68 Ca 0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ib7 h ARG 68 Cb 0.38 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1ib7 h ARG 68 CO 0.01 0.12 -0.13 0.93 -1.07 0.00 0.00 179.97 179.82 1ib7 h GLU 69 N 0.18 -0.35 0.69 0.04 4.39 -0.99 -2.96 114.58 115.59 1ib7 h GLU 69 Ca 0.69 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.38 1ib7 h GLU 69 Cb 2.18 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.91 1ib7 h GLU 69 CO -0.26 -0.01 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.14 1ib7 h LEU 70 N -0.93 -0.92 -0.64 1.33 4.07 -0.48 -0.62 115.31 117.12 1ib7 h LEU 70 Ca -0.04 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.03 1ib7 h LEU 70 Cb 0.50 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 42.41 1ib7 h LEU 70 CO 0.06 -0.61 -0.35 -1.20 -1.08 0.00 0.00 178.44 175.26 1ib7 n SER 71 N -4.79 -0.63 0.01 -0.43 7.64 0.27 0.23 113.62 115.91 1ib7 n SER 71 Ca -0.12 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 1ib7 n SER 71 Cb 0.40 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 1ib7 n SER 71 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ib7 h LYS 72 N 0.00 -0.13 -0.44 1.43 3.64 -1.38 -0.22 116.57 119.47 1ib7 h LYS 72 Ca 0.13 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1ib7 h LYS 72 Cb 0.29 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1ib7 h LYS 72 CO -0.61 -0.09 0.29 1.15 -2.27 0.00 0.00 179.45 177.92 1ib7 h THR 73 N -0.14 0.95 -1.17 1.00 2.02 0.40 -1.12 112.91 114.84 1ib7 h THR 73 Ca 0.08 -0.11 -0.69 0.00 0.77 0.00 0.00 66.41 66.46 1ib7 h THR 73 Cb 0.25 0.60 -0.28 0.00 -1.74 0.00 0.00 68.15 66.97 1ib7 h THR 73 CO -0.19 0.06 0.91 -1.22 0.37 0.00 0.00 175.52 175.45 1ib7 n TYR 74 N -4.47 3.17 -5.07 3.16 4.02 0.62 -4.93 117.16 113.65 1ib7 n TYR 74 Ca 0.06 -2.90 -0.32 0.00 -0.01 0.00 0.00 57.90 54.73 1ib7 n TYR 74 Cb 0.27 -1.41 -0.14 0.00 -0.02 0.00 0.00 39.34 38.04 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 -4.84 2.62 0.00 -0.72 2.07 -0.43 -1.82 121.20 118.08 1ib7 s ILE 75 Ca 0.62 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1ib7 s ILE 75 Cb 0.49 -1.98 0.00 0.00 0.13 0.00 0.00 42.46 41.10 1ib7 s ILE 75 CO -0.08 0.59 0.00 2.30 -1.91 0.00 0.00 174.94 175.83 1ib7 n ILE 76 N 2.38 0.00 -3.31 2.00 -0.00 -1.26 -4.96 119.36 114.21 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 -0.51 0.00 0.00 -0.00 0.00 0.00 39.64 39.65 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 3.09 -0.84 3.52 3.28 0.00 -1.26 -4.64 105.19 108.33 1ib7 n GLY 77 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.62 1.77 0.18 1.61 -1.05 -0.15 -2.03 118.70 118.41 1ib7 s GLU 78 Ca 0.00 -1.89 -0.10 0.00 -0.15 0.00 0.00 54.97 52.83 1ib7 s GLU 78 Cb 0.00 -1.67 -0.07 0.00 -0.44 0.00 0.00 34.13 31.95 1ib7 s GLU 78 CO 0.00 0.17 0.51 -0.48 0.95 0.00 0.00 175.26 176.41 1ib7 s LEU 79 N -3.57 4.24 -0.46 1.83 -0.00 -1.26 -0.85 118.68 118.61 1ib7 s LEU 79 Ca 0.32 0.89 -0.44 0.00 -0.00 0.00 0.00 54.13 54.90 1ib7 s LEU 79 Cb 0.01 -3.46 -0.18 0.00 -0.00 0.00 0.00 46.19 42.56 1ib7 s LEU 79 CO 0.16 0.01 1.87 1.57 -0.00 0.00 0.00 176.35 179.96 1ib7 n HIS 80 N 0.21 1.57 1.27 3.48 -0.00 0.55 -4.67 115.22 117.63 1ib7 n HIS 80 Ca -0.02 0.85 0.12 0.00 -0.00 0.00 0.00 57.72 58.67 1ib7 n HIS 80 Cb 0.52 -2.31 0.64 0.00 -0.00 0.00 0.00 29.99 28.84 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 5.85 0.52 0.14 1.57 -0.04 -1.26 -0.91 135.00 140.87 1ib7 n PRO 81 Ca 0.40 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.66 1ib7 n PRO 81 Cb -0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 0.80 0.01 3.54 3.58 -1.98 -3.32 116.42 119.06 1ib7 h ASP 82 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 1ib7 h ASP 82 Cb 0.12 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1ib7 h ASP 82 CO 0.00 1.70 -1.06 0.47 -2.88 0.00 0.00 179.24 177.47 1ib7 n ASP 83 N -3.69 0.92 0.26 2.28 8.00 -1.11 -4.19 116.55 119.02 1ib7 n ASP 83 Ca -0.17 -0.91 0.09 0.00 0.71 0.00 0.00 54.79 54.51 1ib7 n ASP 83 Cb 1.10 1.05 0.67 0.00 -0.02 0.00 0.00 41.12 43.92 1ib7 n ASP 83 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1ib7 h ARG 84 N 0.00 0.00 -1.43 -1.24 0.11 -1.12 -1.90 114.38 108.81 1ib7 h ARG 84 Ca 0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.42 1ib7 h ARG 84 Cb 0.54 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.27 1ib7 h ARG 84 CO 0.00 0.02 0.14 0.45 0.10 0.00 0.00 179.97 180.68 1ib7 n SER 85 N -4.39 6.23 -2.20 0.08 2.88 -1.26 -4.68 113.62 110.28 1ib7 n SER 85 Ca -0.03 -3.78 -0.27 0.00 -1.33 0.00 0.00 58.87 53.47 1ib7 n SER 85 Cb 0.11 -0.73 0.13 0.00 -0.75 0.00 0.00 64.21 62.97 1ib7 n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ib7 n LYS 86 N -0.63 2.33 -0.10 -1.46 3.00 -0.72 -4.35 118.16 116.25 1ib7 n LYS 86 Ca 0.49 -2.92 -0.12 0.00 -0.00 0.00 0.00 58.31 55.76 1ib7 n LYS 86 Cb 0.58 -2.14 -0.04 0.00 0.00 0.00 0.00 35.03 33.43 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ib7 n ILE 87 N -0.93 1.50 1.35 3.15 -0.00 -1.26 -5.14 119.36 118.02 1ib7 n ILE 87 Ca 0.57 0.06 0.11 0.00 -0.00 0.00 0.00 62.75 63.49 1ib7 n ILE 87 Cb 1.23 -2.28 0.64 0.00 -0.00 0.00 0.00 39.64 39.23 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55