#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 3.54 -0.35 1.45 2.47 -1.26 -4.99 119.74 120.60 1ib7 s LYS 5 Ca 0.00 -0.54 -0.13 0.00 -1.56 0.00 0.00 55.97 53.75 1ib7 s LYS 5 Cb 0.00 -3.20 -0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1ib7 s LYS 5 CO 0.00 -0.19 0.24 0.71 0.16 0.00 0.00 175.35 176.26 1ib7 s TYR 6 N 1.56 3.22 0.07 4.03 2.02 -1.24 0.05 117.35 127.07 1ib7 s TYR 6 Ca 0.06 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1ib7 s TYR 6 Cb -0.15 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1ib7 s TYR 6 CO 0.01 -0.46 0.10 0.71 -1.57 0.00 0.00 175.55 174.34 1ib7 s TYR 7 N 1.68 3.24 0.49 2.71 2.02 0.33 -4.78 117.35 123.03 1ib7 s TYR 7 Ca 0.05 0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 56.67 1ib7 s TYR 7 Cb -0.18 -1.65 -0.09 0.00 -0.40 0.00 0.00 41.96 39.65 1ib7 s TYR 7 CO 0.09 0.53 1.00 0.95 -1.57 0.00 0.00 175.55 176.56 1ib7 s THR 8 N -1.39 4.10 0.05 -0.71 -4.23 -1.26 0.21 115.64 112.42 1ib7 s THR 8 Ca 0.30 1.22 0.23 0.00 -1.18 0.00 0.00 61.69 62.26 1ib7 s THR 8 Cb -0.12 -3.53 0.23 0.00 1.34 0.00 0.00 72.50 70.42 1ib7 s THR 8 CO 0.22 -0.37 1.69 0.17 -0.54 0.00 0.00 174.62 175.79 1ib7 h LEU 9 N 1.42 0.00 -0.25 4.79 -0.00 -1.96 0.84 115.31 120.16 1ib7 h LEU 9 Ca -0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.27 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 0.60 0.00 -0.33 -0.33 -0.00 0.00 0.00 178.44 178.38 1ib7 h GLU 10 N 0.00 0.66 0.00 0.17 5.08 -1.99 -3.22 114.58 115.28 1ib7 h GLU 10 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1ib7 h GLU 10 Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ib7 h GLU 10 CO 0.00 0.99 0.00 -1.91 -1.00 0.00 0.00 179.01 177.09 1ib7 n GLU 11 N -4.26 0.00 -0.27 2.33 4.07 0.29 -1.66 120.64 121.14 1ib7 n GLU 11 Ca -0.05 0.73 -0.05 0.00 -0.06 0.00 0.00 57.16 57.74 1ib7 n GLU 11 Cb 0.50 -1.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.37 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 -2.42 -0.41 -0.26 6.31 -0.00 -1.25 0.22 119.36 121.55 1ib7 n ILE 12 Ca 0.00 1.57 -0.01 0.00 -0.00 0.00 0.00 62.75 64.31 1ib7 n ILE 12 Cb 0.00 -1.99 0.05 0.00 -0.00 0.00 0.00 39.64 37.70 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 -0.07 -0.73 6.28 1.08 -1.43 0.65 115.11 120.89 1ib7 h GLN 13 Ca 0.15 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.42 1ib7 h GLN 13 Cb 0.31 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 1ib7 h GLN 13 CO -0.63 -0.04 0.41 0.87 -0.95 0.00 0.00 178.83 178.49 1ib7 h LYS 14 N -0.07 0.73 -2.73 1.46 1.79 0.37 -2.59 116.57 115.52 1ib7 h LYS 14 Ca 0.31 -0.04 -0.47 0.00 -2.18 0.00 0.00 60.65 58.27 1ib7 h LYS 14 Cb 0.57 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1ib7 h LYS 14 CO -0.79 0.48 2.29 0.72 -1.08 0.00 0.00 179.45 181.07 1ib7 n HIS 15 N -4.76 1.47 -1.16 -1.35 8.25 0.23 -4.23 115.22 113.67 1ib7 n HIS 15 Ca 0.10 -2.39 0.02 0.00 -0.26 0.00 0.00 57.72 55.19 1ib7 n HIS 15 Cb 0.20 -2.07 0.24 0.00 1.12 0.00 0.00 29.99 29.48 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 3.29 2.65 -4.27 -0.41 5.02 -0.98 -2.61 118.16 120.84 1ib7 n LYS 16 Ca 0.62 -2.99 -0.15 0.00 -2.02 0.00 0.00 58.31 53.77 1ib7 n LYS 16 Cb 0.43 -1.89 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.00 0.78 0.14 4.39 1.11 -1.16 -4.99 116.67 114.94 1ib7 s ASP 17 Ca 0.45 -1.39 -0.18 0.00 0.18 0.00 0.00 52.55 51.61 1ib7 s ASP 17 Cb 0.38 0.25 0.01 0.00 1.07 0.00 0.00 42.92 44.63 1ib7 s ASP 17 CO 0.07 -0.78 1.73 0.28 1.18 0.00 0.00 175.17 177.65 1ib7 h SER 18 N 2.48 0.02 -0.93 0.27 0.02 -1.96 -1.72 113.55 111.71 1ib7 h SER 18 Ca -0.37 0.04 0.23 0.00 -0.84 0.00 0.00 61.79 60.85 1ib7 h SER 18 Cb 1.25 0.06 -0.17 0.00 0.14 0.00 0.00 62.40 63.67 1ib7 h SER 18 CO 0.58 0.04 -0.06 0.11 -1.14 0.00 0.00 176.83 176.36 1ib7 h LYS 19 N 0.16 0.02 -2.81 3.45 1.57 -1.97 -3.30 116.57 113.70 1ib7 h LYS 19 Ca 0.12 -0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.38 1ib7 h LYS 19 Cb 0.13 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.03 1ib7 h LYS 19 CO -0.16 0.02 -0.78 -1.12 -0.57 0.00 0.00 179.45 176.84 1ib7 s SER 20 N -5.12 3.45 -0.31 0.86 0.01 -0.69 -4.97 113.70 106.92 1ib7 s SER 20 Ca -0.14 -1.24 -0.06 0.00 1.31 0.00 0.00 55.95 55.82 1ib7 s SER 20 Cb 0.27 -0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.18 1ib7 s SER 20 CO 0.77 -0.43 0.08 -0.89 0.41 0.00 0.00 173.24 173.18 1ib7 s THR 21 N 2.10 3.81 0.27 1.44 2.01 -0.92 -2.88 115.64 121.47 1ib7 s THR 21 Ca 0.08 -0.94 0.11 0.00 0.31 0.00 0.00 61.69 61.26 1ib7 s THR 21 Cb -0.16 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1ib7 s THR 21 CO -0.35 -0.04 -0.14 0.26 -0.69 0.00 0.00 174.62 173.66 1ib7 s TRP 22 N 1.44 2.42 -0.30 4.92 0.52 -1.07 -2.66 118.94 124.21 1ib7 s TRP 22 Ca 0.00 -0.30 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 1ib7 s TRP 22 Cb -0.18 -1.06 0.13 0.00 -1.15 0.00 0.00 33.47 31.20 1ib7 s TRP 22 CO 0.02 0.68 0.65 0.54 0.02 0.00 0.00 176.95 178.86 1ib7 s VAL 23 N -2.40 -0.98 0.04 4.03 0.11 -1.21 -1.23 120.40 118.76 1ib7 s VAL 23 Ca 0.30 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1ib7 s VAL 23 Cb -0.06 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1ib7 s VAL 23 CO 0.16 0.00 1.72 -0.51 -3.33 0.00 0.00 175.10 173.15 1ib7 s ILE 24 N 2.88 3.09 -0.14 7.04 -1.16 -1.14 -0.94 121.20 130.84 1ib7 s ILE 24 Ca -0.06 0.41 -0.02 0.00 -0.51 0.00 0.00 60.65 60.46 1ib7 s ILE 24 Cb -0.12 -3.26 0.04 0.00 0.61 0.00 0.00 42.46 39.73 1ib7 s ILE 24 CO -0.19 -0.01 0.02 -0.76 -2.81 0.00 0.00 174.94 171.19 1ib7 s LEU 25 N 3.23 0.89 -1.44 8.50 1.02 -0.83 -2.96 118.68 127.08 1ib7 s LEU 25 Ca 0.77 -0.48 -0.06 0.00 0.02 0.00 0.00 54.13 54.38 1ib7 s LEU 25 Cb -0.40 -0.52 0.01 0.00 0.02 0.00 0.00 46.19 45.30 1ib7 s LEU 25 CO 0.34 -0.25 0.25 1.41 0.02 0.00 0.00 176.35 178.11 1ib7 n HIS 26 N 5.10 -1.41 -3.53 0.29 8.25 -1.26 -0.02 115.22 122.64 1ib7 n HIS 26 Ca -0.08 0.56 -0.20 0.00 -0.26 0.00 0.00 57.72 57.74 1ib7 n HIS 26 Cb 0.49 -3.09 0.06 0.00 1.12 0.00 0.00 29.99 28.57 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 -4.59 -2.11 -3.10 4.41 8.25 -1.26 -4.98 115.22 111.85 1ib7 n HIS 27 Ca -0.28 0.83 0.04 0.00 -0.26 0.00 0.00 57.72 58.05 1ib7 n HIS 27 Cb 0.67 -4.43 0.00 0.00 1.12 0.00 0.00 29.99 27.35 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 -5.46 0.31 0.38 -0.41 2.20 0.97 -4.66 119.74 113.06 1ib7 s LYS 28 Ca 0.15 0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.67 1ib7 s LYS 28 Cb -0.03 0.11 -0.11 0.00 -1.51 0.00 0.00 37.83 36.29 1ib7 s LYS 28 CO 0.78 -0.54 1.34 1.33 -0.36 0.00 0.00 175.35 177.90 1ib7 n VAL 29 N 4.92 2.22 -3.94 4.02 0.24 -0.70 -1.97 118.33 123.12 1ib7 n VAL 29 Ca 0.08 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.54 1ib7 n VAL 29 Cb 0.58 -1.68 -0.14 0.00 -1.47 0.00 0.00 33.84 31.13 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 -1.14 3.41 -1.27 6.34 1.51 -0.11 -4.23 117.35 121.86 1ib7 s TYR 30 Ca 0.57 -2.27 -0.18 0.00 -1.01 0.00 0.00 57.07 54.18 1ib7 s TYR 30 Cb -0.52 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 38.93 1ib7 s TYR 30 CO 0.61 -0.88 1.93 -3.47 -1.11 0.00 0.00 175.55 172.64 1ib7 n ASP 31 N 4.51 4.07 -2.06 2.29 2.03 -0.97 -3.35 116.55 123.07 1ib7 n ASP 31 Ca -0.08 -2.84 -0.21 0.00 0.52 0.00 0.00 54.79 52.18 1ib7 n ASP 31 Cb 0.42 -1.65 0.03 0.00 -0.72 0.00 0.00 41.12 39.20 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 8.58 6.67 0.02 -2.67 -0.00 -1.09 -4.52 117.00 123.99 1ib7 n LEU 32 Ca 0.49 -3.58 -0.12 0.00 -0.00 0.00 0.00 56.01 52.80 1ib7 n LEU 32 Cb 0.43 -1.07 -0.07 0.00 -0.00 0.00 0.00 43.42 42.71 1ib7 n LEU 32 CO 0.82 1.35 0.85 0.74 -0.00 0.00 0.00 177.39 181.15 1ib7 h THR 33 N 1.16 1.07 -0.40 1.47 2.02 -1.85 1.21 112.91 117.59 1ib7 h THR 33 Ca 0.36 -0.20 -0.15 0.00 0.77 0.00 0.00 66.41 67.19 1ib7 h THR 33 Cb 0.86 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1ib7 h THR 33 CO 0.91 0.06 -0.33 0.50 0.37 0.00 0.00 175.52 177.03 1ib7 h LYS 34 N -0.02 0.92 -0.67 6.66 3.64 -1.90 -2.54 116.57 122.67 1ib7 h LYS 34 Ca 0.01 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1ib7 h LYS 34 Cb 0.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ib7 h LYS 34 CO -0.00 1.10 0.00 0.98 -2.27 0.00 0.00 179.45 179.26 1ib7 n TYR 35 N -4.07 0.91 -0.02 1.91 9.36 -1.07 -4.10 117.16 120.07 1ib7 n TYR 35 Ca -0.01 -0.34 -0.13 0.00 3.32 0.00 0.00 57.90 60.74 1ib7 n TYR 35 Cb 0.51 -0.22 -0.10 0.00 -0.63 0.00 0.00 39.34 38.90 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 2.09 0.01 -0.09 2.98 7.12 0.19 -2.06 115.31 125.56 1ib7 h LEU 36 Ca 0.00 -0.57 0.00 0.00 0.13 0.00 0.00 57.88 57.44 1ib7 h LEU 36 Cb 1.04 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1ib7 h LEU 36 CO 0.18 0.57 -0.41 -1.84 -0.13 0.00 0.00 178.44 176.81 1ib7 n GLU 37 N -4.81 0.16 0.12 1.25 0.28 -1.26 -3.60 120.64 112.77 1ib7 n GLU 37 Ca -0.09 -0.09 0.04 0.00 -0.16 0.00 0.00 57.16 56.87 1ib7 n GLU 37 Cb 0.29 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.67 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 0.21 0.00 -6.28 3.44 4.81 -1.70 -3.47 114.58 111.60 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.92 1ib7 h GLU 38 CO 0.00 0.30 0.69 1.58 -0.73 0.00 0.00 179.01 180.85 1ib7 n HIS 39 N -3.04 1.85 0.11 0.92 -0.00 -0.78 -4.85 115.22 109.44 1ib7 n HIS 39 Ca -0.01 0.49 -0.03 0.00 0.46 0.00 0.00 57.72 58.63 1ib7 n HIS 39 Cb 0.71 -2.43 0.07 0.00 -0.12 0.00 0.00 29.99 28.22 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 5.90 0.00 0.13 1.57 0.13 -1.91 -3.35 132.00 134.47 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 0.86 0.74 -0.06 0.78 -0.23 0.00 0.00 178.00 180.09 1ib7 h GLY 41 N 2.26 -0.18 -4.68 1.56 0.00 -1.99 -3.49 103.07 96.55 1ib7 h GLY 41 Ca -0.01 0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.56 1ib7 h GLY 41 CO 0.10 -0.07 0.76 -0.32 0.00 0.00 0.00 176.54 177.01 1ib7 s GLY 42 N -1.48 -0.09 0.19 4.60 0.00 -1.26 -5.03 107.32 104.25 1ib7 s GLY 42 Ca -0.03 2.43 0.19 0.00 0.00 0.00 0.00 44.72 47.31 1ib7 s GLY 42 CO 0.08 1.06 1.10 1.05 0.00 0.00 0.00 173.10 176.39 1ib7 h GLU 43 N 2.29 0.00 0.00 2.90 4.11 -1.82 -3.36 114.58 118.70 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 30.42 1ib7 h GLU 43 CO 0.26 0.22 -0.04 1.49 0.07 0.00 0.00 179.01 181.02 1ib7 h GLU 44 N 0.00 0.00 -1.90 1.06 4.57 -1.96 -2.48 114.58 113.87 1ib7 h GLU 44 Ca -0.07 0.00 0.55 0.00 -1.18 0.00 0.00 59.36 58.67 1ib7 h GLU 44 Cb 1.32 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.83 1ib7 h GLU 44 CO 0.03 0.56 1.41 1.55 -1.18 0.00 0.00 179.01 181.39 1ib7 n VAL 45 N -4.68 0.00 -0.06 0.32 3.14 -1.26 0.23 118.33 116.03 1ib7 n VAL 45 Ca -0.06 1.47 -0.02 0.00 -2.96 0.00 0.00 64.34 62.77 1ib7 n VAL 45 Cb 0.28 -2.47 -0.01 0.00 -1.06 0.00 0.00 33.84 30.59 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 0.49 6.55 3.38 -1.70 -3.33 115.31 120.69 1ib7 h LEU 46 Ca 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.86 1ib7 h LEU 46 Cb 3.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.46 1ib7 h LEU 46 CO -0.01 0.59 -0.37 0.03 0.09 0.00 0.00 178.44 178.77 1ib7 h ARG 47 N -0.98 -0.81 -0.70 1.13 3.08 0.28 0.82 114.38 117.21 1ib7 h ARG 47 Ca 0.00 0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.32 1ib7 h ARG 47 Cb 0.20 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.30 1ib7 h ARG 47 CO 0.00 -0.54 0.11 -1.91 -1.07 0.00 0.00 179.97 176.56 1ib7 n GLU 48 N -5.49 -0.05 -2.54 0.04 4.07 0.63 0.55 120.64 117.85 1ib7 n GLU 48 Ca -0.11 1.02 -0.19 0.00 -0.06 0.00 0.00 57.16 57.82 1ib7 n GLU 48 Cb 0.39 -1.67 0.01 0.00 -0.06 0.00 0.00 31.44 30.11 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 -4.85 2.47 0.00 5.31 10.64 -0.88 -4.95 117.38 125.12 1ib7 n GLN 49 Ca 0.19 -3.95 0.00 0.00 -1.83 0.00 0.00 57.00 51.41 1ib7 n GLN 49 Cb 0.63 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 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 -0.33 0.00 -0.34 2.61 0.00 0.28 -3.98 120.51 118.75 1ib7 n ALA 50 Ca 0.26 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.00 1ib7 n ALA 50 Cb 0.75 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.69 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 2.02 -0.62 0.00 0.00 0.00 -0.36 -3.79 105.19 102.43 1ib7 n GLY 51 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.36 -3.31 2.67 -0.02 0.00 -1.26 -4.46 105.19 97.45 1ib7 n GLY 52 Ca 0.30 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.08 2.14 -0.28 1.61 -4.77 -1.26 -2.86 116.67 109.16 1ib7 s ASP 53 Ca 0.00 -0.45 0.10 0.00 -3.30 0.00 0.00 52.55 48.90 1ib7 s ASP 53 Cb 0.00 -0.33 0.54 0.00 -1.09 0.00 0.00 42.92 42.03 1ib7 s ASP 53 CO 0.00 -0.30 1.51 0.00 0.70 0.00 0.00 175.17 177.08 1ib7 n ALA 54 N 5.21 4.14 0.12 2.11 0.00 -1.18 -4.74 120.51 126.17 1ib7 n ALA 54 Ca -0.07 -2.89 -0.14 0.00 0.00 0.00 0.00 53.44 50.34 1ib7 n ALA 54 Cb 0.49 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 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 1.25 0.00 -0.47 0.00 2.02 -1.92 0.97 112.91 114.76 1ib7 h THR 55 Ca 0.21 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1ib7 h THR 55 Cb 1.76 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1ib7 h THR 55 CO 0.44 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 176.18 1ib7 h GLU 56 N -0.68 0.71 0.00 6.66 3.07 -1.91 0.26 114.58 122.69 1ib7 h GLU 56 Ca -0.01 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1ib7 h GLU 56 Cb 0.67 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1ib7 h GLU 56 CO -0.22 0.65 -0.00 -0.91 -1.40 0.00 0.00 179.01 177.13 1ib7 h ASN 57 N 0.62 0.00 0.12 1.42 2.35 -1.78 1.73 115.58 120.04 1ib7 h ASN 57 Ca 0.16 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.54 1ib7 h ASN 57 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1ib7 h ASN 57 CO -0.01 0.00 -2.02 0.33 -1.65 0.00 0.00 177.43 174.08 1ib7 n PHE 58 N -3.23 1.20 0.08 1.19 -0.00 0.33 -3.71 117.46 113.32 1ib7 n PHE 58 Ca -0.03 0.25 -0.16 0.00 -0.00 0.00 0.00 57.45 57.51 1ib7 n PHE 58 Cb 0.07 -1.16 -0.09 0.00 -0.00 0.00 0.00 39.48 38.31 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 0.44 -0.62 -4.13 5.08 0.51 -3.05 114.58 112.87 1ib7 h GLU 59 Ca -0.43 -0.55 0.06 0.00 -1.00 0.00 0.00 59.36 57.44 1ib7 h GLU 59 Cb 2.03 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.40 1ib7 h GLU 59 CO 0.08 1.20 0.33 0.22 -1.00 0.00 0.00 179.01 179.85 1ib7 h ASP 60 N 0.21 0.48 0.74 1.42 3.58 0.24 0.40 116.42 123.49 1ib7 h ASP 60 Ca -0.12 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1ib7 h ASP 60 Cb 1.75 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1ib7 h ASP 60 CO 0.19 0.32 0.00 -0.37 -2.88 0.00 0.00 179.24 176.50 1ib7 h VAL 61 N 0.62 0.00 -5.31 2.25 -1.51 -1.64 -3.48 116.25 107.19 1ib7 h VAL 61 Ca 0.28 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1ib7 h VAL 61 Cb 0.18 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1ib7 h VAL 61 CO -0.18 0.00 -0.79 0.61 -1.23 0.00 0.00 177.57 175.98 1ib7 n GLY 62 N -0.09 -2.64 3.76 5.19 0.00 0.14 -4.92 105.19 106.63 1ib7 n GLY 62 Ca 0.01 0.84 -0.41 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.04 3.27 0.79 1.61 3.76 -1.24 -5.02 115.29 116.42 1ib7 s HIS 63 Ca 0.13 1.51 -0.11 0.00 -0.15 0.00 0.00 55.06 56.43 1ib7 s HIS 63 Cb -0.03 -3.52 0.08 0.00 1.11 0.00 0.00 32.58 30.21 1ib7 s HIS 63 CO 0.75 -1.36 1.15 -1.12 -0.85 0.00 0.00 174.74 173.32 1ib7 s SER 64 N -0.55 4.56 0.21 1.40 0.01 -1.26 -4.89 113.70 113.18 1ib7 s SER 64 Ca 0.48 0.73 -0.10 0.00 1.31 0.00 0.00 55.95 58.37 1ib7 s SER 64 Cb -0.36 -1.25 0.29 0.00 0.21 0.00 0.00 66.02 64.90 1ib7 s SER 64 CO 0.47 -1.86 1.68 0.74 0.41 0.00 0.00 173.24 174.69 1ib7 h THR 65 N -0.98 0.57 -0.99 1.44 2.02 -2.00 0.13 112.91 113.10 1ib7 h THR 65 Ca -0.46 -0.06 0.36 0.00 0.77 0.00 0.00 66.41 67.02 1ib7 h THR 65 Cb 1.33 0.37 -0.18 0.00 -1.74 0.00 0.00 68.15 67.93 1ib7 h THR 65 CO 0.65 0.03 0.38 -0.78 0.37 0.00 0.00 175.52 176.17 1ib7 h ASP 66 N 0.19 0.08 -0.13 4.18 3.58 -2.01 1.49 116.42 123.78 1ib7 h ASP 66 Ca 0.31 0.26 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 1ib7 h ASP 66 Cb 0.49 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 1ib7 h ASP 66 CO -0.46 -0.39 -0.00 0.00 -2.88 0.00 0.00 179.24 175.51 1ib7 h ALA 67 N 1.98 0.18 -0.98 -0.78 0.00 -1.10 -2.75 119.26 115.80 1ib7 h ALA 67 Ca 0.76 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.72 1ib7 h ALA 67 Cb 1.87 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.43 1ib7 h ALA 67 CO -0.81 -0.12 -0.04 -0.09 0.00 0.00 0.00 179.25 178.19 1ib7 h ARG 68 N -0.03 0.01 0.29 0.00 2.43 0.24 0.97 114.38 118.27 1ib7 h ARG 68 Ca 0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ib7 h ARG 68 Cb 0.38 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1ib7 h ARG 68 CO 0.01 0.01 -0.14 1.49 -1.51 0.00 0.00 179.97 179.83 1ib7 h GLU 69 N 0.01 -0.37 0.14 0.20 4.22 -1.26 -2.50 114.58 115.02 1ib7 h GLU 69 Ca 0.56 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 60.02 1ib7 h GLU 69 Cb 1.09 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ib7 h GLU 69 CO -0.94 -0.13 -0.12 -0.07 -2.18 0.00 0.00 179.01 175.57 1ib7 h LEU 70 N -0.57 -0.33 -0.58 1.64 4.07 0.00 0.10 115.31 119.65 1ib7 h LEU 70 Ca -0.04 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.01 1ib7 h LEU 70 Cb 0.42 0.10 -0.07 0.00 1.08 0.00 0.00 40.66 42.19 1ib7 h LEU 70 CO 0.06 -0.17 -0.32 -1.20 -1.08 0.00 0.00 178.44 175.74 1ib7 n SER 71 N -3.01 -0.56 0.07 -0.43 7.64 0.29 0.21 113.62 117.83 1ib7 n SER 71 Ca -0.03 1.03 -0.12 0.00 1.01 0.00 0.00 58.87 60.76 1ib7 n SER 71 Cb 0.12 -0.16 -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 0.50 -3.01 0.00 0.00 175.04 172.53 1ib7 h LYS 72 N 0.00 -0.36 -0.49 1.43 1.63 -1.24 0.01 116.57 117.55 1ib7 h LYS 72 Ca 0.12 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.04 1ib7 h LYS 72 Cb 0.26 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1ib7 h LYS 72 CO -0.55 -0.24 0.34 1.15 -3.45 0.00 0.00 179.45 176.69 1ib7 h THR 73 N -0.38 0.88 -1.19 1.00 2.02 0.50 -0.72 112.91 115.03 1ib7 h THR 73 Ca 0.05 -0.09 -0.69 0.00 0.77 0.00 0.00 66.41 66.45 1ib7 h THR 73 Cb 0.44 0.60 -0.28 0.00 -1.74 0.00 0.00 68.15 67.17 1ib7 h THR 73 CO -0.19 0.05 0.91 -1.22 0.37 0.00 0.00 175.52 175.44 1ib7 n TYR 74 N -4.46 3.16 -5.11 3.16 4.02 0.57 -4.93 117.16 113.56 1ib7 n TYR 74 Ca 0.08 -2.88 -0.32 0.00 -0.01 0.00 0.00 57.90 54.78 1ib7 n TYR 74 Cb 0.38 -1.40 -0.15 0.00 -0.02 0.00 0.00 39.34 38.15 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 -4.83 2.43 0.00 -0.72 2.07 -0.28 -2.29 121.20 117.58 1ib7 s ILE 75 Ca 0.62 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 1ib7 s ILE 75 Cb 0.49 -1.90 0.00 0.00 0.13 0.00 0.00 42.46 41.18 1ib7 s ILE 75 CO -0.09 0.56 0.00 2.30 -1.91 0.00 0.00 174.94 175.80 1ib7 n ILE 76 N 2.31 0.00 -2.85 2.00 -0.00 -1.26 -4.97 119.36 114.60 1ib7 n ILE 76 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1ib7 n ILE 76 Cb 0.51 -0.43 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 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 3.04 -1.33 3.78 3.28 0.00 -1.26 -4.49 105.19 108.20 1ib7 n GLY 77 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 2.31 0.13 1.61 -1.05 0.11 -1.71 118.70 119.31 1ib7 s GLU 78 Ca 0.00 -1.77 0.05 0.00 -0.15 0.00 0.00 54.97 53.10 1ib7 s GLU 78 Cb 0.00 -2.09 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1ib7 s GLU 78 CO 0.00 -0.14 0.07 -0.48 0.95 0.00 0.00 175.26 175.67 1ib7 s LEU 79 N -3.97 3.66 -0.41 1.83 -0.00 -1.26 -0.51 118.68 118.02 1ib7 s LEU 79 Ca 0.43 -0.16 -0.36 0.00 -0.00 0.00 0.00 54.13 54.04 1ib7 s LEU 79 Cb 0.02 -2.31 -0.16 0.00 -0.00 0.00 0.00 46.19 43.74 1ib7 s LEU 79 CO 0.24 0.11 1.72 1.57 -0.00 0.00 0.00 176.35 179.99 1ib7 n HIS 80 N 0.03 0.98 0.64 3.48 -0.00 0.57 -4.73 115.22 116.19 1ib7 n HIS 80 Ca -0.09 0.65 0.11 0.00 -0.00 0.00 0.00 57.72 58.39 1ib7 n HIS 80 Cb 0.54 -1.87 0.46 0.00 -0.00 0.00 0.00 29.99 29.12 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 5.94 0.11 0.14 1.57 -0.04 -1.26 -2.17 135.00 139.29 1ib7 n PRO 81 Ca 0.44 0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.88 1ib7 n PRO 81 Cb -0.03 -1.66 -0.16 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.02 3.54 3.58 -1.99 -3.19 116.42 120.17 1ib7 h ASP 82 Ca 0.00 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.59 1ib7 h ASP 82 Cb 0.46 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1ib7 h ASP 82 CO 0.00 1.67 -0.12 0.47 -2.88 0.00 0.00 179.24 178.38 1ib7 n ASP 83 N -3.69 0.31 0.11 2.28 9.92 -1.13 -3.40 116.55 120.95 1ib7 n ASP 83 Ca -0.16 0.37 0.05 0.00 -0.53 0.00 0.00 54.79 54.52 1ib7 n ASP 83 Cb 1.10 -0.40 0.50 0.00 -0.64 0.00 0.00 41.12 41.68 1ib7 n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1ib7 h ARG 84 N 0.00 0.30 -0.35 -1.24 1.12 -1.42 -1.88 114.38 110.91 1ib7 h ARG 84 Ca 0.00 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1ib7 h ARG 84 Cb 0.57 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.45 1ib7 h ARG 84 CO 0.00 0.23 0.17 1.03 -3.11 0.00 0.00 179.97 178.29 1ib7 h SER 85 N 0.31 0.47 -0.78 -3.80 0.87 -1.70 -2.33 113.55 106.58 1ib7 h SER 85 Ca 0.08 -0.13 -0.51 0.00 -1.23 0.00 0.00 61.79 60.00 1ib7 h SER 85 Cb 0.03 -0.12 -0.23 0.00 -0.44 0.00 0.00 62.40 61.64 1ib7 h SER 85 CO -0.01 0.47 0.66 1.17 -0.53 0.00 0.00 176.83 178.59 1ib7 n LYS 86 N -4.73 2.27 -0.02 2.24 4.81 -0.75 -4.18 118.16 117.80 1ib7 n LYS 86 Ca -0.01 -2.54 -0.14 0.00 -0.87 0.00 0.00 58.31 54.75 1ib7 n LYS 86 Cb 0.11 -2.00 -0.14 0.00 0.02 0.00 0.00 35.03 33.02 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 -0.45 1.65 0.00 3.15 0.13 -0.88 -5.04 119.36 117.92 1ib7 n ILE 87 Ca 0.49 -0.74 0.00 0.00 -1.10 0.00 0.00 62.75 61.40 1ib7 n ILE 87 Cb 0.74 -1.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.29 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35