#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 3.23 -0.38 1.45 -0.14 -1.26 -5.01 119.74 117.62 1ib7 s LYS 5 Ca 0.00 -0.73 -0.14 0.00 -1.36 0.00 0.00 55.97 53.74 1ib7 s LYS 5 Cb 0.00 -2.69 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1ib7 s LYS 5 CO 0.00 -0.04 0.27 0.71 -0.76 0.00 0.00 175.35 175.53 1ib7 s TYR 6 N 0.97 3.23 0.05 3.18 2.02 -1.25 -0.73 117.35 124.84 1ib7 s TYR 6 Ca -0.02 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.17 1ib7 s TYR 6 Cb -0.15 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.84 1ib7 s TYR 6 CO -0.02 -0.52 0.21 0.71 -1.57 0.00 0.00 175.55 174.35 1ib7 s TYR 7 N 1.68 3.52 0.47 2.71 2.02 0.20 -4.71 117.35 123.24 1ib7 s TYR 7 Ca 0.05 0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.81 1ib7 s TYR 7 Cb -0.18 -1.76 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 1ib7 s TYR 7 CO 0.10 0.59 0.98 0.95 -1.57 0.00 0.00 175.55 176.60 1ib7 s THR 8 N -1.50 4.33 0.42 -0.71 -4.23 -1.26 0.21 115.64 112.90 1ib7 s THR 8 Ca 0.34 1.34 0.29 0.00 -1.18 0.00 0.00 61.69 62.49 1ib7 s THR 8 Cb -0.13 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.40 1ib7 s THR 8 CO 0.27 -0.42 1.88 0.17 -0.54 0.00 0.00 174.62 175.98 1ib7 h LEU 9 N 1.52 0.00 -1.11 4.79 -0.00 -1.90 0.32 115.31 118.93 1ib7 h LEU 9 Ca -0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.33 1ib7 h LEU 9 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1ib7 h LEU 9 CO 0.61 0.00 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.60 1ib7 h GLU 10 N 0.00 0.49 0.00 0.17 4.39 -1.98 -2.85 114.58 114.80 1ib7 h GLU 10 Ca 0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1ib7 h GLU 10 Cb 0.39 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1ib7 h GLU 10 CO 0.00 0.61 0.00 0.39 -1.16 0.00 0.00 179.01 178.85 1ib7 n GLU 11 N -4.21 0.00 -0.26 2.33 4.71 0.11 -1.31 120.64 122.01 1ib7 n GLU 11 Ca 0.01 0.36 0.21 0.00 -0.01 0.00 0.00 57.16 57.73 1ib7 n GLU 11 Cb 0.32 -1.32 0.40 0.00 -1.01 0.00 0.00 31.44 29.82 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 -1.59 -0.34 0.00 -3.67 -0.00 -1.24 0.14 119.36 112.66 1ib7 n ILE 12 Ca 0.00 1.67 0.00 0.00 -0.00 0.00 0.00 62.75 64.42 1ib7 n ILE 12 Cb 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 39.64 37.02 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 -4.91 0.00 -0.14 6.28 1.13 -1.08 -2.52 117.38 116.15 1ib7 n GLN 13 Ca 0.27 0.07 0.28 0.00 -1.94 0.00 0.00 57.00 55.68 1ib7 n GLN 13 Cb 0.90 -1.06 0.63 0.00 0.11 0.00 0.00 30.24 30.83 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 -1.57 -1.09 2.10 0.19 0.77 116.57 116.96 1ib7 h LYS 14 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 1ib7 h LYS 14 Cb 0.00 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.13 1ib7 h LYS 14 CO 0.00 0.00 0.60 0.72 -2.00 0.00 0.00 179.45 178.77 1ib7 n HIS 15 N -3.61 2.13 -1.12 0.07 8.25 0.36 -4.27 115.22 117.04 1ib7 n HIS 15 Ca 0.19 -2.26 0.01 0.00 -0.26 0.00 0.00 57.72 55.39 1ib7 n HIS 15 Cb 1.16 -1.21 0.26 0.00 1.12 0.00 0.00 29.99 31.31 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 0.07 2.91 -4.59 -0.41 4.81 0.27 -1.95 118.16 119.28 1ib7 n LYS 16 Ca 0.46 -3.01 -0.28 0.00 -0.87 0.00 0.00 58.31 54.61 1ib7 n LYS 16 Cb 0.55 -1.96 -0.11 0.00 0.02 0.00 0.00 35.03 33.54 1ib7 n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ib7 s ASP 17 N -1.81 3.89 0.13 3.14 1.01 -1.12 -4.89 116.67 117.02 1ib7 s ASP 17 Ca 0.47 -1.33 -0.19 0.00 0.71 0.00 0.00 52.55 52.20 1ib7 s ASP 17 Cb 0.39 -0.40 -0.02 0.00 1.01 0.00 0.00 42.92 43.90 1ib7 s ASP 17 CO 0.08 -0.42 1.73 0.28 0.21 0.00 0.00 175.17 177.05 1ib7 h SER 18 N 1.79 -0.03 -0.90 0.27 0.02 -1.97 -1.62 113.55 111.11 1ib7 h SER 18 Ca -0.44 0.04 0.23 0.00 -0.84 0.00 0.00 61.79 60.79 1ib7 h SER 18 Cb 1.24 0.06 -0.16 0.00 0.14 0.00 0.00 62.40 63.69 1ib7 h SER 18 CO 0.79 0.02 0.05 0.07 -1.14 0.00 0.00 176.83 176.62 1ib7 h LYS 19 N 0.11 0.07 -2.77 3.45 2.10 -1.96 -3.29 116.57 114.27 1ib7 h LYS 19 Ca 0.10 -0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.21 1ib7 h LYS 19 Cb 0.11 -0.02 -0.40 0.00 -0.90 0.00 0.00 32.23 31.03 1ib7 h LYS 19 CO -0.15 0.05 -0.79 -1.12 -2.00 0.00 0.00 179.45 175.43 1ib7 s SER 20 N -5.09 3.46 -0.38 7.07 0.01 -0.68 -4.95 113.70 113.15 1ib7 s SER 20 Ca -0.13 -1.42 -0.12 0.00 1.31 0.00 0.00 55.95 55.59 1ib7 s SER 20 Cb 0.26 -0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.16 1ib7 s SER 20 CO 0.77 -0.42 0.23 -0.89 0.41 0.00 0.00 173.24 173.34 1ib7 s THR 21 N 1.94 4.73 0.24 1.44 2.01 -0.79 -2.81 115.64 122.41 1ib7 s THR 21 Ca 0.10 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.40 1ib7 s THR 21 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1ib7 s THR 21 CO -0.31 -0.25 -0.10 0.26 -0.69 0.00 0.00 174.62 173.53 1ib7 s TRP 22 N 1.58 2.55 -0.26 4.92 0.52 -0.82 -2.26 118.94 125.17 1ib7 s TRP 22 Ca 0.03 -0.26 -0.09 0.00 0.02 0.00 0.00 56.10 55.79 1ib7 s TRP 22 Cb -0.19 -1.16 0.11 0.00 -1.15 0.00 0.00 33.47 31.08 1ib7 s TRP 22 CO 0.07 0.61 0.57 0.54 0.02 0.00 0.00 176.95 178.77 1ib7 s VAL 23 N -2.16 -0.77 -0.43 4.03 0.11 -1.19 -1.28 120.40 118.71 1ib7 s VAL 23 Ca 0.28 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 1ib7 s VAL 23 Cb -0.07 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1ib7 s VAL 23 CO 0.17 0.02 1.83 -0.63 -3.33 0.00 0.00 175.10 173.16 1ib7 s ILE 24 N 2.65 3.43 -0.17 7.04 1.01 -1.24 -0.34 121.20 133.58 1ib7 s ILE 24 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1ib7 s ILE 24 Cb -0.11 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1ib7 s ILE 24 CO -0.17 -0.56 -0.16 -0.76 0.00 0.00 0.00 174.94 173.29 1ib7 s LEU 25 N 7.77 2.37 -1.30 2.97 1.02 -0.59 -3.49 118.68 127.43 1ib7 s LEU 25 Ca 0.76 -0.54 -0.19 0.00 0.02 0.00 0.00 54.13 54.18 1ib7 s LEU 25 Cb -0.19 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.50 1ib7 s LEU 25 CO 0.29 0.03 0.36 0.00 0.02 0.00 0.00 176.35 177.05 1ib7 n HIS 26 N 4.41 -1.25 -3.71 0.29 1.44 -1.26 0.89 115.22 116.03 1ib7 n HIS 26 Ca -0.20 0.28 -0.23 0.00 -2.01 0.00 0.00 57.72 55.56 1ib7 n HIS 26 Cb 0.51 -2.63 0.03 0.00 0.12 0.00 0.00 29.99 28.01 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 -4.69 -1.90 -3.14 -1.40 8.25 -1.26 -4.96 115.22 106.13 1ib7 n HIS 27 Ca -0.20 0.77 0.05 0.00 -0.26 0.00 0.00 57.72 58.08 1ib7 n HIS 27 Cb 0.59 -4.15 -0.00 0.00 1.12 0.00 0.00 29.99 27.55 1ib7 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ib7 s LYS 28 N -5.98 0.32 0.36 -0.41 1.02 0.26 -4.68 119.74 110.63 1ib7 s LYS 28 Ca 0.09 0.27 -0.28 0.00 0.02 0.00 0.00 55.97 56.08 1ib7 s LYS 28 Cb -0.03 0.13 -0.12 0.00 -0.52 0.00 0.00 37.83 37.30 1ib7 s LYS 28 CO 0.83 -0.59 1.32 1.33 -0.92 0.00 0.00 175.35 177.32 1ib7 n VAL 29 N 5.15 2.06 -3.93 3.17 0.24 -0.81 -1.54 118.33 122.67 1ib7 n VAL 29 Ca 0.08 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.53 1ib7 n VAL 29 Cb 0.57 -1.64 -0.14 0.00 -1.47 0.00 0.00 33.84 31.16 1ib7 n VAL 29 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1ib7 s TYR 30 N -1.11 3.36 -1.26 6.34 1.51 0.54 -4.23 117.35 122.50 1ib7 s TYR 30 Ca 0.56 -2.13 -0.18 0.00 -1.01 0.00 0.00 57.07 54.31 1ib7 s TYR 30 Cb -0.55 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 1ib7 s TYR 30 CO 0.62 -0.85 1.98 -3.47 -1.11 0.00 0.00 175.55 172.71 1ib7 n ASP 31 N 4.55 3.93 -2.30 2.29 2.03 -0.85 -3.17 116.55 123.03 1ib7 n ASP 31 Ca -0.10 -2.82 -0.26 0.00 0.52 0.00 0.00 54.79 52.12 1ib7 n ASP 31 Cb 0.43 -1.62 0.01 0.00 -0.72 0.00 0.00 41.12 39.22 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 8.18 6.78 -0.01 -2.67 -0.00 -0.96 -4.53 117.00 123.79 1ib7 n LEU 32 Ca 0.50 -3.92 -0.12 0.00 -0.00 0.00 0.00 56.01 52.47 1ib7 n LEU 32 Cb 0.43 -1.12 -0.08 0.00 -0.00 0.00 0.00 43.42 42.65 1ib7 n LEU 32 CO 0.85 1.52 0.73 0.74 -0.00 0.00 0.00 177.39 181.23 1ib7 h THR 33 N 1.50 1.24 -0.19 1.47 2.02 -1.85 0.47 112.91 117.58 1ib7 h THR 33 Ca 0.41 -0.74 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 1ib7 h THR 33 Cb 0.72 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1ib7 h THR 33 CO 1.01 0.20 -0.53 0.11 0.37 0.00 0.00 175.52 176.67 1ib7 h LYS 34 N -0.23 0.54 -0.57 6.66 6.56 -1.90 -2.60 116.57 125.03 1ib7 h LYS 34 Ca 0.01 -0.33 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1ib7 h LYS 34 Cb 0.32 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1ib7 h LYS 34 CO 0.00 0.94 0.00 0.98 -2.06 0.00 0.00 179.45 179.31 1ib7 n TYR 35 N -3.96 0.74 -0.05 -1.35 9.36 -1.16 -4.03 117.16 116.71 1ib7 n TYR 35 Ca -0.03 -0.30 -0.14 0.00 3.32 0.00 0.00 57.90 60.75 1ib7 n TYR 35 Cb 0.59 -0.15 -0.08 0.00 -0.63 0.00 0.00 39.34 39.08 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 2.04 0.43 -0.07 2.98 7.12 0.36 -1.94 115.31 126.24 1ib7 h LEU 36 Ca 0.00 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.45 1ib7 h LEU 36 Cb 0.84 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1ib7 h LEU 36 CO 0.12 0.92 -0.47 -0.62 -0.13 0.00 0.00 178.44 178.26 1ib7 n GLU 37 N -4.45 0.12 0.09 1.25 1.02 -1.26 -3.68 120.64 113.73 1ib7 n GLU 37 Ca -0.07 -0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.02 1ib7 n GLU 37 Cb 0.45 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.17 0.00 -6.25 3.49 4.57 -1.69 -3.46 114.58 111.40 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.51 1ib7 h GLU 38 Cb 0.50 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1ib7 h GLU 38 CO 0.00 0.37 0.85 1.58 -1.18 0.00 0.00 179.01 180.63 1ib7 n HIS 39 N -3.05 2.04 0.10 0.92 -0.00 -0.74 -4.84 115.22 109.66 1ib7 n HIS 39 Ca -0.03 0.38 -0.04 0.00 0.46 0.00 0.00 57.72 58.49 1ib7 n HIS 39 Cb 0.76 -2.50 0.06 0.00 -0.12 0.00 0.00 29.99 28.19 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 7.02 0.05 0.38 1.57 0.13 -1.91 -3.34 132.00 135.90 1ib7 h PRO 40 Ca -0.47 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1ib7 h PRO 40 Cb 1.30 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ib7 h PRO 40 CO 0.91 0.79 -0.18 0.78 -0.23 0.00 0.00 178.00 180.07 1ib7 h GLY 41 N 2.13 -0.54 -5.17 1.56 0.00 -1.99 -3.48 103.07 95.57 1ib7 h GLY 41 Ca -0.01 0.20 0.15 0.00 0.00 0.00 0.00 47.33 47.67 1ib7 h GLY 41 CO 0.10 -0.20 0.73 -0.32 0.00 0.00 0.00 176.54 176.86 1ib7 s GLY 42 N -1.63 0.03 0.00 4.60 0.00 -1.25 -5.01 107.32 104.05 1ib7 s GLY 42 Ca -0.08 2.79 0.27 0.00 0.00 0.00 0.00 44.72 47.71 1ib7 s GLY 42 CO 0.23 1.46 1.65 -1.84 0.00 0.00 0.00 173.10 174.59 1ib7 n GLU 43 N 1.20 0.35 -0.12 2.90 0.28 -1.26 -4.04 120.64 119.95 1ib7 n GLU 43 Ca -0.08 -0.16 -0.21 0.00 -0.16 0.00 0.00 57.16 56.55 1ib7 n GLU 43 Cb 0.57 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.87 1ib7 n GLU 43 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ib7 n GLU 44 N -1.19 0.56 -0.58 3.44 4.07 -1.26 -3.63 120.64 122.05 1ib7 n GLU 44 Ca 0.09 0.30 0.47 0.00 -0.06 0.00 0.00 57.16 57.96 1ib7 n GLU 44 Cb 0.32 -1.51 0.72 0.00 -0.06 0.00 0.00 31.44 30.91 1ib7 n GLU 44 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1ib7 h VAL 45 N -1.00 0.00 0.00 6.31 3.04 -1.96 2.67 116.25 125.31 1ib7 h VAL 45 Ca -0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1ib7 h VAL 45 Cb 1.32 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1ib7 h VAL 45 CO -0.24 0.00 -0.06 -0.07 -1.01 0.00 0.00 177.57 176.19 1ib7 h LEU 46 N 0.00 0.00 0.03 3.16 3.38 -1.75 -3.33 115.31 116.80 1ib7 h LEU 46 Ca 0.83 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.62 1ib7 h LEU 46 Cb 3.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 44.33 1ib7 h LEU 46 CO -0.01 0.61 -0.01 0.03 0.09 0.00 0.00 178.44 179.15 1ib7 h ARG 47 N -1.00 -0.04 -1.08 1.13 3.08 0.38 1.06 114.38 117.91 1ib7 h ARG 47 Ca -0.01 0.00 0.38 0.00 0.07 0.00 0.00 59.98 60.43 1ib7 h ARG 47 Cb 0.22 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.16 1ib7 h ARG 47 CO -0.00 0.09 0.69 -0.85 -1.07 0.00 0.00 179.97 178.83 1ib7 n GLU 48 N -5.05 -0.03 -2.73 0.04 0.28 0.83 -0.30 120.64 113.68 1ib7 n GLU 48 Ca -0.08 1.02 -0.05 0.00 -0.16 0.00 0.00 57.16 57.89 1ib7 n GLU 48 Cb 0.10 -1.99 0.05 0.00 1.43 0.00 0.00 31.44 31.03 1ib7 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ib7 n GLN 49 N -4.35 1.37 0.00 3.44 10.64 -0.96 -4.96 117.38 122.54 1ib7 n GLN 49 Ca 0.32 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.43 1ib7 n GLN 49 Cb 1.24 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 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 -0.40 0.00 -0.49 2.61 0.00 0.36 -3.56 120.51 119.03 1ib7 n ALA 50 Ca 0.05 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.92 1ib7 n ALA 50 Cb 0.82 0.00 0.77 0.00 0.00 0.00 0.00 19.45 21.03 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 0.15 0.00 0.00 0.00 -1.18 -3.32 103.07 98.73 1ib7 h GLY 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ib7 h GLY 51 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1ib7 n GLY 52 N -1.80 -3.42 2.75 4.60 0.00 -1.23 -4.52 105.19 101.57 1ib7 n GLY 52 Ca 0.34 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.98 2.78 -0.22 1.61 -4.77 -1.25 -3.67 116.67 109.16 1ib7 s ASP 53 Ca 0.00 -0.74 0.14 0.00 -3.30 0.00 0.00 52.55 48.65 1ib7 s ASP 53 Cb 0.00 -0.61 0.53 0.00 -1.09 0.00 0.00 42.92 41.75 1ib7 s ASP 53 CO 0.00 -0.28 1.46 0.00 0.70 0.00 0.00 175.17 177.04 1ib7 n ALA 54 N 5.04 3.50 0.00 2.11 0.00 -1.25 -4.76 120.51 125.15 1ib7 n ALA 54 Ca -0.09 -2.59 -0.00 0.00 0.00 0.00 0.00 53.44 50.76 1ib7 n ALA 54 Cb 0.47 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.53 0.00 -0.77 0.00 2.02 -1.94 1.03 112.91 114.78 1ib7 h THR 55 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1ib7 h THR 55 Cb 1.57 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1ib7 h THR 55 CO 0.31 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 176.24 1ib7 h GLU 56 N -0.00 1.10 0.00 6.66 5.08 -1.92 0.30 114.58 125.79 1ib7 h GLU 56 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ib7 h GLU 56 Cb 0.00 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1ib7 h GLU 56 CO -0.00 0.84 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.94 1ib7 h ASN 57 N 1.09 0.00 0.06 1.42 2.35 -1.78 1.99 115.58 120.71 1ib7 h ASN 57 Ca 0.27 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.64 1ib7 h ASN 57 Cb 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1ib7 h ASN 57 CO -0.03 0.00 -2.24 0.33 -1.65 0.00 0.00 177.43 173.83 1ib7 n PHE 58 N -3.13 0.61 0.08 1.19 -0.00 0.35 -3.90 117.46 112.67 1ib7 n PHE 58 Ca -0.02 0.13 -0.13 0.00 -0.00 0.00 0.00 57.45 57.43 1ib7 n PHE 58 Cb 0.11 -1.08 -0.07 0.00 -0.00 0.00 0.00 39.48 38.44 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 0.01 0.30 -0.80 -4.13 5.08 0.13 -3.03 114.58 112.14 1ib7 h GLU 59 Ca -0.51 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 57.50 1ib7 h GLU 59 Cb 1.96 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 31.28 1ib7 h GLU 59 CO -0.01 1.10 0.52 0.22 -1.00 0.00 0.00 179.01 179.84 1ib7 h ASP 60 N 0.15 0.87 0.90 1.42 1.82 0.30 0.21 116.42 122.08 1ib7 h ASP 60 Ca -0.09 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1ib7 h ASP 60 Cb 1.69 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.49 1ib7 h ASP 60 CO 0.17 0.61 0.00 -0.37 -1.61 0.00 0.00 179.24 178.04 1ib7 h VAL 61 N 1.03 0.00 -5.35 2.25 -1.51 -1.67 -3.48 116.25 107.53 1ib7 h VAL 61 Ca 0.31 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1ib7 h VAL 61 Cb -0.03 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1ib7 h VAL 61 CO -0.10 0.00 -0.80 0.61 -1.23 0.00 0.00 177.57 176.05 1ib7 n GLY 62 N 0.13 -2.58 3.77 5.19 0.00 0.73 -4.92 105.19 107.50 1ib7 n GLY 62 Ca 0.02 0.82 -0.40 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 3.27 0.78 1.61 3.76 -1.24 -5.02 115.29 116.44 1ib7 s HIS 63 Ca 0.13 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.46 1ib7 s HIS 63 Cb -0.03 -3.52 0.08 0.00 1.11 0.00 0.00 32.58 30.22 1ib7 s HIS 63 CO 0.74 -1.31 1.14 -1.12 -0.85 0.00 0.00 174.74 173.33 1ib7 s SER 64 N -0.65 4.57 0.22 1.40 0.01 -1.26 -4.88 113.70 113.11 1ib7 s SER 64 Ca 0.47 0.68 -0.08 0.00 1.31 0.00 0.00 55.95 58.33 1ib7 s SER 64 Cb -0.36 -1.21 0.36 0.00 0.21 0.00 0.00 66.02 65.02 1ib7 s SER 64 CO 0.48 -1.83 1.70 0.74 0.41 0.00 0.00 173.24 174.73 1ib7 h THR 65 N -0.94 0.60 -0.99 1.44 2.02 -2.00 0.14 112.91 113.18 1ib7 h THR 65 Ca -0.45 -0.10 0.37 0.00 0.77 0.00 0.00 66.41 67.00 1ib7 h THR 65 Cb 1.32 0.30 -0.17 0.00 -1.74 0.00 0.00 68.15 67.86 1ib7 h THR 65 CO 0.64 0.05 0.44 0.44 0.37 0.00 0.00 175.52 177.46 1ib7 h ASP 66 N 0.28 0.19 -0.14 4.18 3.32 -2.01 1.45 116.42 123.68 1ib7 h ASP 66 Ca 0.35 0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.60 1ib7 h ASP 66 Cb 0.55 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1ib7 h ASP 66 CO -0.44 -0.37 -0.12 0.00 -1.72 0.00 0.00 179.24 176.60 1ib7 h ALA 67 N 1.96 0.21 -0.96 3.45 0.00 -1.09 -2.92 119.26 119.91 1ib7 h ALA 67 Ca 0.77 -0.31 0.28 0.00 0.00 0.00 0.00 54.91 55.66 1ib7 h ALA 67 Cb 1.93 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.49 1ib7 h ALA 67 CO -0.77 0.06 0.07 -2.13 0.00 0.00 0.00 179.25 176.49 1ib7 n ARG 68 N -4.59 -0.07 0.17 0.00 0.63 0.49 0.14 116.66 113.42 1ib7 n ARG 68 Ca -0.06 1.43 -0.13 0.00 -0.92 0.00 0.00 57.85 58.16 1ib7 n ARG 68 Cb 0.34 -2.30 -0.08 0.00 0.45 0.00 0.00 32.46 30.88 1ib7 n ARG 68 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ib7 h GLU 69 N 0.00 -0.43 0.17 -0.14 4.57 -1.34 -2.59 114.58 114.82 1ib7 h GLU 69 Ca 0.61 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.81 1ib7 h GLU 69 Cb 1.30 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1ib7 h GLU 69 CO -0.89 -0.12 -0.16 -0.07 -1.18 0.00 0.00 179.01 176.59 1ib7 h LEU 70 N -0.79 -0.44 -0.66 1.64 4.07 -0.09 0.44 115.31 119.49 1ib7 h LEU 70 Ca -0.05 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.02 1ib7 h LEU 70 Cb 0.52 0.14 -0.09 0.00 1.08 0.00 0.00 40.66 42.31 1ib7 h LEU 70 CO 0.08 -0.22 -0.34 -1.20 -1.08 0.00 0.00 178.44 175.68 1ib7 n SER 71 N -3.29 -0.60 0.01 -0.43 7.64 0.36 0.24 113.62 117.54 1ib7 n SER 71 Ca -0.04 1.16 -0.11 0.00 1.01 0.00 0.00 58.87 60.89 1ib7 n SER 71 Cb 0.15 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 1ib7 n SER 71 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ib7 h LYS 72 N 0.00 -0.02 -0.34 1.43 1.57 -1.21 -0.90 116.57 117.11 1ib7 h LYS 72 Ca 0.15 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1ib7 h LYS 72 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1ib7 h LYS 72 CO -0.63 -0.01 0.23 1.15 -0.57 0.00 0.00 179.45 179.62 1ib7 h THR 73 N -0.02 0.91 -1.00 -0.16 2.02 0.71 -0.44 112.91 114.94 1ib7 h THR 73 Ca 0.04 -0.06 -0.65 0.00 0.77 0.00 0.00 66.41 66.52 1ib7 h THR 73 Cb 0.08 0.74 -0.29 0.00 -1.74 0.00 0.00 68.15 66.93 1ib7 h THR 73 CO -0.09 0.03 0.83 -1.22 0.37 0.00 0.00 175.52 175.45 1ib7 n TYR 74 N -4.47 3.21 -4.75 3.16 4.02 0.64 -4.93 117.16 114.04 1ib7 n TYR 74 Ca 0.04 -2.79 -0.33 0.00 -0.01 0.00 0.00 57.90 54.80 1ib7 n TYR 74 Cb 0.30 -1.35 -0.12 0.00 -0.02 0.00 0.00 39.34 38.14 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 -4.51 3.41 0.00 -0.72 -1.16 -0.17 -2.00 121.20 116.04 1ib7 s ILE 75 Ca 0.63 -0.59 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 1ib7 s ILE 75 Cb 0.50 -2.37 0.00 0.00 0.61 0.00 0.00 42.46 41.21 1ib7 s ILE 75 CO 0.01 0.59 0.00 2.30 -2.81 0.00 0.00 174.94 175.04 1ib7 n ILE 76 N 2.28 0.00 -3.19 2.00 -0.00 -1.26 -4.97 119.36 114.22 1ib7 n ILE 76 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1ib7 n ILE 76 Cb 0.53 -0.51 0.00 0.00 -0.00 0.00 0.00 39.64 39.66 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 3.07 -0.55 3.57 3.28 0.00 -1.26 -4.62 105.19 108.68 1ib7 n GLY 77 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.53 1.86 0.10 1.61 -1.05 0.10 -1.92 118.70 118.86 1ib7 s GLU 78 Ca 0.00 -2.05 0.04 0.00 -0.15 0.00 0.00 54.97 52.81 1ib7 s GLU 78 Cb 0.00 -1.38 -0.04 0.00 -0.44 0.00 0.00 34.13 32.27 1ib7 s GLU 78 CO 0.00 -0.10 0.08 -0.48 0.95 0.00 0.00 175.26 175.71 1ib7 s LEU 79 N -3.64 3.76 -0.45 1.83 -0.00 -1.26 -0.63 118.68 118.29 1ib7 s LEU 79 Ca 0.35 -0.05 -0.41 0.00 -0.00 0.00 0.00 54.13 54.02 1ib7 s LEU 79 Cb 0.09 -2.43 -0.17 0.00 -0.00 0.00 0.00 46.19 43.68 1ib7 s LEU 79 CO 0.17 0.15 1.67 1.57 -0.00 0.00 0.00 176.35 179.91 1ib7 n HIS 80 N 0.33 1.30 0.38 3.48 -0.00 0.56 -4.71 115.22 116.57 1ib7 n HIS 80 Ca -0.09 0.86 0.14 0.00 -0.00 0.00 0.00 57.72 58.63 1ib7 n HIS 80 Cb 0.52 -2.02 0.44 0.00 -0.00 0.00 0.00 29.99 28.94 1ib7 n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ib7 h PRO 81 N 6.23 0.00 0.12 1.57 0.13 -1.94 -2.09 132.00 136.01 1ib7 h PRO 81 Ca -0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.62 1ib7 h PRO 81 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ib7 h PRO 81 CO 0.92 0.00 -1.22 0.22 -0.23 0.00 0.00 178.00 177.69 1ib7 h ASP 82 N 0.00 0.39 -0.60 1.44 3.58 -1.99 -3.18 116.42 116.07 1ib7 h ASP 82 Ca 0.00 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1ib7 h ASP 82 Cb 0.65 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1ib7 h ASP 82 CO 0.00 1.33 0.00 0.47 -2.88 0.00 0.00 179.24 178.16 1ib7 n ASP 83 N -3.52 5.54 0.11 2.28 8.00 -1.11 -4.22 116.55 123.63 1ib7 n ASP 83 Ca -0.08 -2.82 0.13 0.00 0.71 0.00 0.00 54.79 52.73 1ib7 n ASP 83 Cb 1.02 -0.66 0.44 0.00 -0.02 0.00 0.00 41.12 41.90 1ib7 n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1ib7 n ARG 84 N 0.75 0.23 -0.54 -1.24 1.85 -0.80 -2.52 116.66 114.40 1ib7 n ARG 84 Ca 0.28 0.29 0.07 0.00 -1.00 0.00 0.00 57.85 57.48 1ib7 n ARG 84 Cb 1.13 -1.82 0.27 0.00 -1.05 0.00 0.00 32.46 30.99 1ib7 n ARG 84 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1ib7 n SER 85 N -2.23 3.95 -2.22 2.89 2.88 -1.26 -4.50 113.62 113.14 1ib7 n SER 85 Ca 0.04 -3.09 -0.24 0.00 -1.33 0.00 0.00 58.87 54.25 1ib7 n SER 85 Cb 0.35 -0.57 0.17 0.00 -0.75 0.00 0.00 64.21 63.40 1ib7 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ib7 n LYS 86 N -0.47 2.26 -0.12 -1.46 4.76 -1.05 -4.27 118.16 117.82 1ib7 n LYS 86 Ca 0.24 -2.98 -0.25 0.00 -2.87 0.00 0.00 58.31 52.45 1ib7 n LYS 86 Cb 0.96 -2.17 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ib7 n ILE 87 N -1.10 1.55 0.00 -0.18 -0.00 -1.26 -5.14 119.36 113.23 1ib7 n ILE 87 Ca 0.59 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 63.01 1ib7 n ILE 87 Cb 1.58 -1.86 0.00 0.00 -0.00 0.00 0.00 39.64 39.37 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55