#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 3.45 -0.51 1.45 -0.14 -1.26 -5.00 119.74 117.73 1ib7 s LYS 5 Ca 0.00 -0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 53.88 1ib7 s LYS 5 Cb 0.00 -3.08 0.11 0.00 -1.68 0.00 0.00 37.83 33.18 1ib7 s LYS 5 CO 0.00 -0.18 0.45 0.71 -0.76 0.00 0.00 175.35 175.57 1ib7 s TYR 6 N 1.47 3.27 0.18 3.18 2.02 -1.22 -0.59 117.35 125.66 1ib7 s TYR 6 Ca 0.05 -1.28 -0.14 0.00 -0.37 0.00 0.00 57.07 55.34 1ib7 s TYR 6 Cb -0.14 -3.58 -0.07 0.00 -0.40 0.00 0.00 41.96 37.76 1ib7 s TYR 6 CO -0.01 -0.96 0.58 0.71 -1.57 0.00 0.00 175.55 174.29 1ib7 s TYR 7 N 1.58 3.56 0.57 2.71 2.02 0.84 -4.48 117.35 124.15 1ib7 s TYR 7 Ca 0.04 1.06 -0.18 0.00 -0.37 0.00 0.00 57.07 57.61 1ib7 s TYR 7 Cb -0.28 -2.38 -0.05 0.00 -0.40 0.00 0.00 41.96 38.86 1ib7 s TYR 7 CO 0.03 0.37 1.12 0.95 -1.57 0.00 0.00 175.55 176.46 1ib7 s THR 8 N -1.57 3.20 -0.15 -0.71 -4.23 -1.26 0.22 115.64 111.13 1ib7 s THR 8 Ca 0.41 0.70 0.19 0.00 -1.18 0.00 0.00 61.69 61.81 1ib7 s THR 8 Cb -0.14 -3.25 0.19 0.00 1.34 0.00 0.00 72.50 70.64 1ib7 s THR 8 CO 0.20 -0.21 1.55 0.00 -0.54 0.00 0.00 174.62 175.62 1ib7 n LEU 9 N -1.55 0.49 -0.05 4.79 -0.00 -1.26 -0.57 117.00 118.85 1ib7 n LEU 9 Ca 0.11 0.70 -0.16 0.00 -0.00 0.00 0.00 56.01 56.67 1ib7 n LEU 9 Cb 0.51 -0.74 -0.07 0.00 -0.00 0.00 0.00 43.42 43.13 1ib7 n LEU 9 CO 0.43 -0.87 0.40 -0.08 -0.00 0.00 0.00 177.39 177.28 1ib7 h GLU 10 N 0.00 0.64 -0.01 1.47 4.81 -1.98 -3.26 114.58 116.25 1ib7 h GLU 10 Ca 0.00 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ib7 h GLU 10 Cb 0.17 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ib7 h GLU 10 CO 0.00 1.08 -0.02 1.49 -0.73 0.00 0.00 179.01 180.83 1ib7 h GLU 11 N 0.32 -0.02 -0.69 1.92 4.57 -1.19 -0.08 114.58 119.41 1ib7 h GLU 11 Ca -0.02 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1ib7 h GLU 11 Cb 1.13 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.61 1ib7 h GLU 11 CO 0.11 -0.01 -0.25 0.44 -1.18 0.00 0.00 179.01 178.12 1ib7 n ILE 12 N -2.68 -0.35 -0.01 2.32 -0.00 -1.25 0.21 119.36 117.60 1ib7 n ILE 12 Ca -0.00 1.61 -0.09 0.00 -0.00 0.00 0.00 62.75 64.26 1ib7 n ILE 12 Cb 0.01 -2.15 -0.03 0.00 -0.00 0.00 0.00 39.64 37.47 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 -0.30 -0.92 6.28 1.08 -1.34 0.11 115.11 120.02 1ib7 h GLN 13 Ca 0.26 0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.67 1ib7 h GLN 13 Cb 0.44 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.86 1ib7 h GLN 13 CO -0.69 -0.20 0.60 0.87 -0.95 0.00 0.00 178.83 178.46 1ib7 h LYS 14 N -0.31 0.51 -2.61 1.46 1.79 0.42 -1.80 116.57 116.05 1ib7 h LYS 14 Ca 0.11 -0.03 -0.67 0.00 -2.18 0.00 0.00 60.65 57.88 1ib7 h LYS 14 Cb 0.47 -0.12 -0.09 0.00 -1.58 0.00 0.00 32.23 30.92 1ib7 h LYS 14 CO -0.34 0.34 2.39 0.72 -1.08 0.00 0.00 179.45 181.49 1ib7 n HIS 15 N -4.57 2.31 -1.46 -1.35 8.25 0.39 -4.46 115.22 114.33 1ib7 n HIS 15 Ca 0.20 -2.72 -0.12 0.00 -0.26 0.00 0.00 57.72 54.81 1ib7 n HIS 15 Cb 0.63 -1.93 0.17 0.00 1.12 0.00 0.00 29.99 29.98 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 2.11 2.13 -4.00 -0.41 3.00 -0.68 -2.72 118.16 117.58 1ib7 n LYS 16 Ca 0.64 -3.26 -0.08 0.00 -0.00 0.00 0.00 58.31 55.61 1ib7 n LYS 16 Cb 0.31 -1.96 -0.09 0.00 0.00 0.00 0.00 35.03 33.29 1ib7 n LYS 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ib7 s ASP 17 N -2.34 0.27 0.20 3.14 1.11 -1.09 -4.99 116.67 112.96 1ib7 s ASP 17 Ca 0.49 -0.89 -0.13 0.00 0.18 0.00 0.00 52.55 52.20 1ib7 s ASP 17 Cb 0.43 0.29 0.22 0.00 1.07 0.00 0.00 42.92 44.93 1ib7 s ASP 17 CO 0.02 -0.70 1.66 0.28 1.18 0.00 0.00 175.17 177.61 1ib7 h SER 18 N 2.89 -0.33 -0.87 0.27 0.02 -1.96 0.10 113.55 113.67 1ib7 h SER 18 Ca -0.34 0.14 0.21 0.00 -0.84 0.00 0.00 61.79 60.97 1ib7 h SER 18 Cb 1.18 0.27 -0.16 0.00 0.14 0.00 0.00 62.40 63.84 1ib7 h SER 18 CO 0.59 -0.12 0.01 0.11 -1.14 0.00 0.00 176.83 176.27 1ib7 h LYS 19 N 0.07 0.07 -2.95 3.45 6.56 -1.96 -3.30 116.57 118.51 1ib7 h LYS 19 Ca 0.28 -0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.32 1ib7 h LYS 19 Cb 0.43 -0.01 -0.40 0.00 -0.57 0.00 0.00 32.23 31.68 1ib7 h LYS 19 CO -0.50 0.04 -0.78 -1.54 -2.06 0.00 0.00 179.45 174.62 1ib7 s SER 20 N -5.13 3.61 -0.31 0.86 1.04 0.30 -4.94 113.70 109.14 1ib7 s SER 20 Ca -0.13 -1.46 -0.05 0.00 0.48 0.00 0.00 55.95 54.79 1ib7 s SER 20 Cb 0.25 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.92 1ib7 s SER 20 CO 0.77 -0.42 0.06 -0.89 0.98 0.00 0.00 173.24 173.73 1ib7 s THR 21 N 1.89 3.58 0.29 2.02 2.01 -0.87 -2.68 115.64 121.88 1ib7 s THR 21 Ca 0.10 -1.03 0.11 0.00 0.31 0.00 0.00 61.69 61.18 1ib7 s THR 21 Cb -0.17 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1ib7 s THR 21 CO -0.31 -0.04 -0.12 0.26 -0.69 0.00 0.00 174.62 173.73 1ib7 s TRP 22 N 1.40 2.43 -0.27 4.92 0.52 -1.10 -2.61 118.94 124.21 1ib7 s TRP 22 Ca -0.01 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.66 1ib7 s TRP 22 Cb -0.18 -1.15 0.10 0.00 -1.15 0.00 0.00 33.47 31.09 1ib7 s TRP 22 CO 0.01 0.65 0.62 0.54 0.02 0.00 0.00 176.95 178.79 1ib7 s VAL 23 N -2.48 -0.58 -0.35 4.03 0.11 -1.23 -1.00 120.40 118.90 1ib7 s VAL 23 Ca 0.31 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 1ib7 s VAL 23 Cb -0.04 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1ib7 s VAL 23 CO 0.17 0.01 1.59 -0.63 -3.33 0.00 0.00 175.10 172.90 1ib7 s ILE 24 N 2.36 3.72 -0.07 7.04 1.01 -1.24 -0.87 121.20 133.15 1ib7 s ILE 24 Ca -0.07 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.37 1ib7 s ILE 24 Cb -0.10 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 1ib7 s ILE 24 CO -0.18 -0.54 -0.22 -0.76 0.00 0.00 0.00 174.94 173.24 1ib7 s LEU 25 N 5.90 2.01 -1.62 2.97 1.02 0.59 -3.05 118.68 126.50 1ib7 s LEU 25 Ca 0.70 -0.49 -0.21 0.00 0.02 0.00 0.00 54.13 54.15 1ib7 s LEU 25 Cb -0.19 -1.27 0.21 0.00 0.02 0.00 0.00 46.19 44.95 1ib7 s LEU 25 CO 0.32 0.17 0.51 1.41 0.02 0.00 0.00 176.35 178.79 1ib7 n HIS 26 N 3.31 -1.01 -2.72 0.29 8.25 -1.26 0.20 115.22 122.28 1ib7 n HIS 26 Ca -0.19 0.59 -0.09 0.00 -0.26 0.00 0.00 57.72 57.77 1ib7 n HIS 26 Cb 0.53 -1.60 0.05 0.00 1.12 0.00 0.00 29.99 30.08 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 -3.56 -1.24 -3.58 4.41 8.25 -1.26 -5.04 115.22 113.20 1ib7 n HIS 27 Ca 0.10 0.51 -0.01 0.00 -0.26 0.00 0.00 57.72 58.06 1ib7 n HIS 27 Cb 0.39 -3.64 -0.06 0.00 1.12 0.00 0.00 29.99 27.80 1ib7 n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ib7 s LYS 28 N -4.53 0.34 0.32 -0.41 -2.85 0.53 -4.61 119.74 108.53 1ib7 s LYS 28 Ca 0.06 0.64 -0.28 0.00 -1.00 0.00 0.00 55.97 55.39 1ib7 s LYS 28 Cb -0.01 0.16 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 1ib7 s LYS 28 CO 0.40 -0.08 1.08 0.14 0.10 0.00 0.00 175.35 176.99 1ib7 s VAL 29 N 1.61 3.57 -0.31 1.79 -7.23 -0.88 0.22 120.40 119.17 1ib7 s VAL 29 Ca -0.07 1.44 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 1ib7 s VAL 29 Cb -0.04 -3.87 0.07 0.00 0.56 0.00 0.00 36.38 33.10 1ib7 s VAL 29 CO -0.15 0.24 0.00 -0.31 -0.31 0.00 0.00 175.10 174.58 1ib7 s TYR 30 N -1.33 3.39 -1.15 2.82 1.51 -0.05 -4.26 117.35 118.29 1ib7 s TYR 30 Ca 0.49 -2.27 -0.20 0.00 -1.01 0.00 0.00 57.07 54.08 1ib7 s TYR 30 Cb -0.29 -2.35 -0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1ib7 s TYR 30 CO 0.36 -0.87 1.92 -3.47 -1.11 0.00 0.00 175.55 172.38 1ib7 n ASP 31 N 4.50 3.49 -2.14 2.29 2.03 -0.58 -3.53 116.55 122.60 1ib7 n ASP 31 Ca -0.09 -2.77 -0.27 0.00 0.52 0.00 0.00 54.79 52.18 1ib7 n ASP 31 Cb 0.42 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.32 1ib7 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ib7 n LEU 32 N 10.12 7.13 0.02 -2.67 -0.00 -1.07 -4.55 117.00 125.96 1ib7 n LEU 32 Ca 0.48 -3.84 -0.12 0.00 -0.00 0.00 0.00 56.01 52.53 1ib7 n LEU 32 Cb 0.44 -0.99 -0.07 0.00 -0.00 0.00 0.00 43.42 42.80 1ib7 n LEU 32 CO 0.82 1.34 0.84 0.74 -0.00 0.00 0.00 177.39 181.13 1ib7 h THR 33 N 0.98 1.08 -0.26 1.47 2.02 -1.84 0.69 112.91 117.05 1ib7 h THR 33 Ca 0.49 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 67.28 1ib7 h THR 33 Cb 0.98 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1ib7 h THR 33 CO 1.24 0.06 -0.49 0.11 0.37 0.00 0.00 175.52 176.81 1ib7 h LYS 34 N -0.03 0.72 -0.80 6.66 6.56 -1.89 -2.67 116.57 125.12 1ib7 h LYS 34 Ca 0.01 -0.42 -0.01 0.00 -1.06 0.00 0.00 60.65 59.17 1ib7 h LYS 34 Cb 0.08 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 1ib7 h LYS 34 CO -0.00 1.05 0.01 0.98 -2.06 0.00 0.00 179.45 179.43 1ib7 n TYR 35 N -4.00 1.07 -0.02 -1.35 9.36 -1.08 -4.06 117.16 117.09 1ib7 n TYR 35 Ca -0.03 -0.40 -0.16 0.00 3.32 0.00 0.00 57.90 60.64 1ib7 n TYR 35 Cb 0.59 -0.32 -0.12 0.00 -0.63 0.00 0.00 39.34 38.85 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 1.98 0.24 -0.26 2.98 7.12 0.76 -2.69 115.31 125.45 1ib7 h LEU 36 Ca 0.01 -0.83 0.00 0.00 0.13 0.00 0.00 57.88 57.19 1ib7 h LEU 36 Cb 1.28 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1ib7 h LEU 36 CO 0.26 1.05 -0.34 -1.84 -0.13 0.00 0.00 178.44 177.44 1ib7 n GLU 37 N -4.45 0.46 0.10 1.25 0.28 -1.26 -3.60 120.64 113.43 1ib7 n GLU 37 Ca -0.10 -0.26 0.07 0.00 -0.16 0.00 0.00 57.16 56.71 1ib7 n GLU 37 Cb 0.56 -1.49 -0.00 0.00 1.43 0.00 0.00 31.44 31.93 1ib7 n GLU 37 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ib7 h GLU 38 N 0.63 0.00 -6.25 3.44 4.57 -1.71 -3.47 114.58 111.78 1ib7 h GLU 38 Ca 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.50 1ib7 h GLU 38 Cb 0.49 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1ib7 h GLU 38 CO 0.00 0.15 0.76 1.58 -1.18 0.00 0.00 179.01 180.32 1ib7 n HIS 39 N -2.86 1.94 0.10 0.92 -0.00 -1.01 -4.85 115.22 109.46 1ib7 n HIS 39 Ca -0.02 0.45 -0.05 0.00 0.46 0.00 0.00 57.72 58.56 1ib7 n HIS 39 Cb 0.66 -2.46 0.06 0.00 -0.12 0.00 0.00 29.99 28.13 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 6.44 0.07 0.27 1.57 0.13 -1.92 -3.35 132.00 135.22 1ib7 h PRO 40 Ca -0.47 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1ib7 h PRO 40 Cb 1.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ib7 h PRO 40 CO 0.89 0.80 -0.13 0.78 -0.23 0.00 0.00 178.00 180.11 1ib7 h GLY 41 N 2.07 -0.38 -4.73 1.56 0.00 -1.99 -3.48 103.07 96.11 1ib7 h GLY 41 Ca -0.02 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.62 1ib7 h GLY 41 CO 0.11 -0.14 0.75 -0.32 0.00 0.00 0.00 176.54 176.94 1ib7 s GLY 42 N -1.67 -0.08 0.23 4.60 0.00 -1.26 -5.02 107.32 104.13 1ib7 s GLY 42 Ca -0.05 2.46 0.23 0.00 0.00 0.00 0.00 44.72 47.36 1ib7 s GLY 42 CO 0.16 1.10 1.21 1.05 0.00 0.00 0.00 173.10 176.62 1ib7 h GLU 43 N 2.35 0.00 0.00 2.90 4.11 -1.81 -3.36 114.58 118.77 1ib7 h GLU 43 Ca -0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.22 1ib7 h GLU 43 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ib7 h GLU 43 CO 0.26 0.00 -0.48 0.93 0.07 0.00 0.00 179.01 179.79 1ib7 h GLU 44 N 0.00 0.00 -1.76 1.06 5.08 -1.95 -2.81 114.58 114.20 1ib7 h GLU 44 Ca 0.00 0.00 0.51 0.00 -1.00 0.00 0.00 59.36 58.87 1ib7 h GLU 44 Cb 0.95 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1ib7 h GLU 44 CO 0.00 0.64 1.38 -0.24 -1.00 0.00 0.00 179.01 179.80 1ib7 h VAL 45 N -1.00 0.01 0.00 3.13 3.04 -1.97 2.09 116.25 121.55 1ib7 h VAL 45 Ca -0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1ib7 h VAL 45 Cb 0.83 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 1ib7 h VAL 45 CO -0.07 0.00 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.22 1ib7 h LEU 46 N 0.00 0.00 0.56 3.16 3.38 -1.71 -3.33 115.31 117.37 1ib7 h LEU 46 Ca 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.78 1ib7 h LEU 46 Cb 3.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.33 1ib7 h LEU 46 CO -0.01 0.54 -0.38 0.03 0.09 0.00 0.00 178.44 178.71 1ib7 h ARG 47 N -0.87 -0.87 -0.71 1.13 3.08 -0.09 1.35 114.38 117.41 1ib7 h ARG 47 Ca 0.00 0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.33 1ib7 h ARG 47 Cb 0.21 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.32 1ib7 h ARG 47 CO 0.00 -0.58 0.10 -1.91 -1.07 0.00 0.00 179.97 176.51 1ib7 n GLU 48 N -5.51 -0.05 -2.77 0.04 4.07 0.67 -0.34 120.64 116.75 1ib7 n GLU 48 Ca -0.12 1.04 -0.17 0.00 -0.06 0.00 0.00 57.16 57.85 1ib7 n GLU 48 Cb 0.40 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 1ib7 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ib7 n GLN 49 N -4.88 1.82 0.00 5.31 10.64 -0.92 -4.95 117.38 124.40 1ib7 n GLN 49 Ca 0.19 -3.72 0.00 0.00 -1.83 0.00 0.00 57.00 51.64 1ib7 n GLN 49 Cb 0.63 -1.67 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 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 -0.10 0.00 -0.46 2.61 0.00 0.46 -3.97 120.51 119.05 1ib7 n ALA 50 Ca 0.21 0.00 0.42 0.00 0.00 0.00 0.00 53.44 54.07 1ib7 n ALA 50 Cb 0.71 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.88 1ib7 n ALA 50 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ib7 h GLY 51 N 0.00 0.00 0.00 0.00 0.00 -1.14 -3.33 103.07 98.60 1ib7 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ib7 h GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ib7 n GLY 52 N -1.82 -3.44 2.78 4.60 0.00 -1.25 -4.40 105.19 101.66 1ib7 n GLY 52 Ca 0.33 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.01 3.01 -0.10 1.61 -4.77 -1.26 -3.71 116.67 109.44 1ib7 s ASP 53 Ca 0.00 -0.84 0.13 0.00 -3.30 0.00 0.00 52.55 48.54 1ib7 s ASP 53 Cb 0.00 -0.71 0.32 0.00 -1.09 0.00 0.00 42.92 41.44 1ib7 s ASP 53 CO 0.00 -0.28 1.23 0.00 0.70 0.00 0.00 175.17 176.82 1ib7 n ALA 54 N 4.98 2.44 0.03 2.11 0.00 -1.25 -4.74 120.51 124.08 1ib7 n ALA 54 Ca -0.10 -1.96 -0.14 0.00 0.00 0.00 0.00 53.44 51.24 1ib7 n ALA 54 Cb 0.47 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 0.96 0.06 -0.41 0.00 2.02 -1.91 1.73 112.91 115.36 1ib7 h THR 55 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1ib7 h THR 55 Cb 1.01 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1ib7 h THR 55 CO 0.07 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.41 1ib7 h GLU 56 N -0.60 0.88 0.00 6.66 3.07 -1.90 0.25 114.58 122.94 1ib7 h GLU 56 Ca 0.04 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1ib7 h GLU 56 Cb 0.68 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1ib7 h GLU 56 CO -0.38 1.04 0.00 0.09 -1.40 0.00 0.00 179.01 178.37 1ib7 n ASN 57 N -4.19 0.45 -0.11 1.42 4.13 -0.84 0.18 115.26 116.30 1ib7 n ASN 57 Ca -0.01 0.65 -0.18 0.00 1.68 0.00 0.00 54.58 56.71 1ib7 n ASN 57 Cb 0.45 -0.73 -0.12 0.00 -1.54 0.00 0.00 39.78 37.84 1ib7 n ASN 57 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1ib7 n PHE 58 N -2.03 0.16 0.10 3.10 7.35 0.58 -4.08 117.46 122.64 1ib7 n PHE 58 Ca 0.01 0.03 -0.17 0.00 -0.76 0.00 0.00 57.45 56.57 1ib7 n PHE 58 Cb 0.14 -1.02 -0.14 0.00 0.35 0.00 0.00 39.48 38.80 1ib7 n PHE 58 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1ib7 h GLU 59 N 0.01 0.29 -0.79 -4.13 4.11 -0.09 -3.22 114.58 110.75 1ib7 h GLU 59 Ca -0.56 -0.49 0.07 0.00 0.07 0.00 0.00 59.36 58.44 1ib7 h GLU 59 Cb 1.92 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 31.29 1ib7 h GLU 59 CO -0.07 1.21 0.47 0.22 0.07 0.00 0.00 179.01 180.91 1ib7 h ASP 60 N 0.08 0.71 0.70 3.06 1.82 0.17 0.43 116.42 123.39 1ib7 h ASP 60 Ca -0.17 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1ib7 h ASP 60 Cb 2.00 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.89 1ib7 h ASP 60 CO 0.20 0.45 0.00 -0.37 -1.61 0.00 0.00 179.24 177.91 1ib7 h VAL 61 N 0.84 0.00 -4.91 2.25 -1.51 -1.71 -3.48 116.25 107.74 1ib7 h VAL 61 Ca 0.35 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 1ib7 h VAL 61 Cb 0.21 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1ib7 h VAL 61 CO -0.19 0.00 -0.60 0.61 -1.23 0.00 0.00 177.57 176.16 1ib7 n GLY 62 N -0.27 -2.40 3.76 5.19 0.00 0.15 -4.94 105.19 106.68 1ib7 n GLY 62 Ca 0.00 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.99 3.38 0.80 1.61 3.76 -1.25 -5.02 115.29 116.57 1ib7 s HIS 63 Ca 0.13 1.60 -0.12 0.00 -0.15 0.00 0.00 55.06 56.52 1ib7 s HIS 63 Cb -0.04 -3.43 0.07 0.00 1.11 0.00 0.00 32.58 30.30 1ib7 s HIS 63 CO 0.67 -1.03 1.17 -1.12 -0.85 0.00 0.00 174.74 173.58 1ib7 s SER 64 N -0.74 4.58 0.21 1.40 0.01 -1.26 -4.88 113.70 113.01 1ib7 s SER 64 Ca 0.46 0.79 -0.10 0.00 1.31 0.00 0.00 55.95 58.41 1ib7 s SER 64 Cb -0.35 -1.31 0.29 0.00 0.21 0.00 0.00 66.02 64.86 1ib7 s SER 64 CO 0.45 -1.86 1.69 0.74 0.41 0.00 0.00 173.24 174.67 1ib7 h THR 65 N -1.01 0.59 -0.99 1.44 2.02 -2.00 0.10 112.91 113.06 1ib7 h THR 65 Ca -0.46 -0.07 0.35 0.00 0.77 0.00 0.00 66.41 67.01 1ib7 h THR 65 Cb 1.32 0.37 -0.18 0.00 -1.74 0.00 0.00 68.15 67.93 1ib7 h THR 65 CO 0.66 0.04 0.34 0.44 0.37 0.00 0.00 175.52 177.36 1ib7 h ASP 66 N 0.19 0.03 -0.11 4.18 5.19 -2.01 1.41 116.42 125.30 1ib7 h ASP 66 Ca 0.31 0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.97 1ib7 h ASP 66 Cb 0.48 0.34 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 1ib7 h ASP 66 CO -0.45 -0.38 0.00 0.00 -3.12 0.00 0.00 179.24 175.30 1ib7 h ALA 67 N 1.98 0.15 -1.00 3.45 0.00 -1.15 -2.72 119.26 119.98 1ib7 h ALA 67 Ca 0.74 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.74 1ib7 h ALA 67 Cb 1.79 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 19.36 1ib7 h ALA 67 CO -0.81 -0.16 0.01 -0.09 0.00 0.00 0.00 179.25 178.21 1ib7 h ARG 68 N -0.07 0.00 0.37 0.00 2.43 0.22 0.88 114.38 118.22 1ib7 h ARG 68 Ca 0.03 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ib7 h ARG 68 Cb 0.35 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ib7 h ARG 68 CO 0.01 0.00 -0.18 1.49 -1.51 0.00 0.00 179.97 179.78 1ib7 h GLU 69 N 0.00 -0.48 0.10 0.20 4.81 -1.24 -2.46 114.58 115.51 1ib7 h GLU 69 Ca 0.60 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.86 1ib7 h GLU 69 Cb 1.23 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1ib7 h GLU 69 CO -0.94 -0.19 -0.11 -0.07 -0.73 0.00 0.00 179.01 176.97 1ib7 h LEU 70 N -0.74 -0.31 -0.64 1.64 4.07 -0.04 0.25 115.31 119.54 1ib7 h LEU 70 Ca -0.05 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.01 1ib7 h LEU 70 Cb 0.51 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.26 1ib7 h LEU 70 CO 0.08 -0.14 -0.32 -1.54 -1.08 0.00 0.00 178.44 175.44 1ib7 n SER 71 N -3.00 -0.56 0.06 -0.43 3.41 0.27 0.20 113.62 113.58 1ib7 n SER 71 Ca -0.03 1.13 -0.11 0.00 -0.26 0.00 0.00 58.87 59.60 1ib7 n SER 71 Cb 0.10 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.26 -0.39 4.33 3.64 -1.13 -0.34 116.57 122.41 1ib7 h LYS 72 Ca 0.16 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1ib7 h LYS 72 Cb 0.32 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1ib7 h LYS 72 CO -0.62 -0.17 0.27 1.15 -2.27 0.00 0.00 179.45 177.81 1ib7 h THR 73 N -0.27 0.91 -0.98 1.00 2.02 0.59 -0.51 112.91 115.67 1ib7 h THR 73 Ca 0.05 -0.07 -0.65 0.00 0.77 0.00 0.00 66.41 66.51 1ib7 h THR 73 Cb 0.33 0.68 -0.29 0.00 -1.74 0.00 0.00 68.15 67.14 1ib7 h THR 73 CO -0.15 0.04 0.84 -1.22 0.37 0.00 0.00 175.52 175.40 1ib7 n TYR 74 N -4.47 3.16 -4.93 3.16 4.02 0.55 -4.93 117.16 113.73 1ib7 n TYR 74 Ca 0.05 -2.86 -0.32 0.00 -0.01 0.00 0.00 57.90 54.76 1ib7 n TYR 74 Cb 0.32 -1.38 -0.13 0.00 -0.02 0.00 0.00 39.34 38.12 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 -4.56 2.89 0.00 -0.72 -1.16 -0.20 -1.53 121.20 115.92 1ib7 s ILE 75 Ca 0.63 -0.83 0.00 0.00 -0.51 0.00 0.00 60.65 59.94 1ib7 s ILE 75 Cb 0.50 -2.12 0.00 0.00 0.61 0.00 0.00 42.46 41.44 1ib7 s ILE 75 CO 0.00 0.56 0.00 2.30 -2.81 0.00 0.00 174.94 174.99 1ib7 n ILE 76 N 2.23 0.00 -3.24 2.00 -0.00 -1.26 -4.95 119.36 114.14 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 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 39.67 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 3.15 -0.71 3.57 3.28 0.00 -1.26 -4.60 105.19 108.62 1ib7 n GLY 77 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1ib7 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ib7 s GLU 78 N -0.48 1.86 0.08 1.61 2.02 0.24 -2.06 118.70 121.96 1ib7 s GLU 78 Ca 0.00 -2.04 0.02 0.00 0.02 0.00 0.00 54.97 52.97 1ib7 s GLU 78 Cb 0.00 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 1ib7 s GLU 78 CO 0.00 -0.08 0.11 -0.48 0.02 0.00 0.00 175.26 174.83 1ib7 s LEU 79 N -3.64 3.93 -0.47 1.80 -0.00 -1.26 -0.11 118.68 118.93 1ib7 s LEU 79 Ca 0.35 0.05 -0.41 0.00 -0.00 0.00 0.00 54.13 54.13 1ib7 s LEU 79 Cb 0.09 -2.59 -0.18 0.00 -0.00 0.00 0.00 46.19 43.51 1ib7 s LEU 79 CO 0.17 0.17 2.00 1.57 -0.00 0.00 0.00 176.35 180.25 1ib7 n HIS 80 N 0.38 1.07 1.50 3.48 -0.00 0.59 -4.69 115.22 117.55 1ib7 n HIS 80 Ca -0.08 0.71 0.12 0.00 -0.00 0.00 0.00 57.72 58.47 1ib7 n HIS 80 Cb 0.52 -2.13 0.69 0.00 -0.00 0.00 0.00 29.99 29.07 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 6.99 0.75 0.09 1.57 -0.04 -1.26 -2.64 135.00 140.46 1ib7 n PRO 81 Ca 0.51 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.78 1ib7 n PRO 81 Cb -0.04 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.72 0.80 3.54 3.58 -1.95 -3.13 116.42 119.98 1ib7 h ASP 82 Ca 0.00 -0.68 -0.16 0.00 0.42 0.00 0.00 57.03 56.61 1ib7 h ASP 82 Cb 0.00 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 1ib7 h ASP 82 CO 0.00 1.50 -1.30 0.44 -2.88 0.00 0.00 179.24 177.00 1ib7 h ASP 83 N 0.22 0.00 0.07 2.28 5.19 -1.89 -3.31 116.42 118.98 1ib7 h ASP 83 Ca -0.16 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1ib7 h ASP 83 Cb 1.88 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.39 1ib7 h ASP 83 CO 0.22 0.57 -0.06 -0.09 -3.12 0.00 0.00 179.24 176.75 1ib7 h ARG 84 N 0.00 0.00 -2.01 3.56 9.65 -1.56 -2.59 114.38 121.42 1ib7 h ARG 84 Ca -0.14 0.00 -0.70 0.00 -1.10 0.00 0.00 59.98 58.04 1ib7 h ARG 84 Cb 1.56 0.00 -0.34 0.00 -1.39 0.00 0.00 29.97 29.80 1ib7 h ARG 84 CO 0.05 0.06 0.29 0.43 2.80 0.00 0.00 179.97 183.61 1ib7 n SER 85 N -4.41 6.22 -2.15 -3.80 7.64 -1.18 -4.68 113.62 111.25 1ib7 n SER 85 Ca -0.03 -3.74 -0.16 0.00 1.01 0.00 0.00 58.87 55.95 1ib7 n SER 85 Cb 0.15 -0.85 0.24 0.00 -1.01 0.00 0.00 64.21 62.73 1ib7 n SER 85 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ib7 n LYS 86 N -0.34 2.93 -0.09 1.43 2.85 -0.98 -4.37 118.16 119.59 1ib7 n LYS 86 Ca 0.44 -3.05 -0.09 0.00 -1.05 0.00 0.00 58.31 54.57 1ib7 n LYS 86 Cb 0.37 -2.20 -0.03 0.00 -0.65 0.00 0.00 35.03 32.52 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ib7 n ILE 87 N -0.70 1.49 0.00 0.58 -0.00 -1.26 -5.15 119.36 114.32 1ib7 n ILE 87 Ca 0.52 0.15 0.00 0.00 -0.00 0.00 0.00 62.75 63.41 1ib7 n ILE 87 Cb 1.56 -2.35 0.00 0.00 -0.00 0.00 0.00 39.64 38.84 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55