#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 3.39 -0.24 1.45 -0.14 -1.26 -5.02 119.74 117.92 1ib7 s LYS 5 Ca 0.00 -0.62 -0.11 0.00 -1.36 0.00 0.00 55.97 53.87 1ib7 s LYS 5 Cb 0.00 -2.99 -0.05 0.00 -1.68 0.00 0.00 37.83 33.11 1ib7 s LYS 5 CO 0.00 -0.16 0.19 0.71 -0.76 0.00 0.00 175.35 175.33 1ib7 s TYR 6 N 1.39 3.31 0.04 3.18 2.02 -1.25 -1.00 117.35 125.04 1ib7 s TYR 6 Ca 0.05 0.26 0.05 0.00 -0.37 0.00 0.00 57.07 57.05 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 -0.03 0.02 -0.07 0.71 -1.57 0.00 0.00 175.55 174.61 1ib7 s TYR 7 N 1.21 2.84 0.41 2.71 2.02 0.24 -4.71 117.35 122.07 1ib7 s TYR 7 Ca 0.09 -0.08 -0.24 0.00 -0.37 0.00 0.00 57.07 56.47 1ib7 s TYR 7 Cb -0.14 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 1ib7 s TYR 7 CO 0.06 0.39 1.08 0.95 -1.57 0.00 0.00 175.55 176.46 1ib7 s THR 8 N -1.08 3.56 0.52 -0.71 -4.23 -1.26 0.20 115.64 112.64 1ib7 s THR 8 Ca 0.19 1.19 0.25 0.00 -1.18 0.00 0.00 61.69 62.15 1ib7 s THR 8 Cb -0.11 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.37 1ib7 s THR 8 CO 0.10 0.01 1.76 0.17 -0.54 0.00 0.00 174.62 176.12 1ib7 h LEU 9 N 2.41 0.00 -1.32 4.79 -0.00 -1.93 0.57 115.31 119.83 1ib7 h LEU 9 Ca -0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.35 1ib7 h LEU 9 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 1ib7 h LEU 9 CO 0.62 0.00 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.72 1ib7 h GLU 10 N 0.00 0.44 0.00 0.17 5.08 -2.00 -2.91 114.58 115.36 1ib7 h GLU 10 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ib7 h GLU 10 Cb 0.68 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ib7 h GLU 10 CO 0.00 0.48 0.00 0.39 -1.00 0.00 0.00 179.01 178.88 1ib7 n GLU 11 N -4.30 0.00 -0.22 2.33 4.71 0.20 -1.40 120.64 121.96 1ib7 n GLU 11 Ca 0.01 0.27 0.21 0.00 -0.01 0.00 0.00 57.16 57.63 1ib7 n GLU 11 Cb 0.23 -1.23 0.38 0.00 -1.01 0.00 0.00 31.44 29.81 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 -1.31 -0.29 0.00 -3.67 -0.00 -1.23 0.10 119.36 112.96 1ib7 n ILE 12 Ca 0.00 1.39 0.00 0.00 -0.00 0.00 0.00 62.75 64.14 1ib7 n ILE 12 Cb 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 39.64 37.40 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 -4.58 0.00 -0.57 6.28 1.13 -1.10 -2.89 117.38 115.65 1ib7 n GLN 13 Ca 0.25 0.00 0.47 0.00 -1.94 0.00 0.00 57.00 55.77 1ib7 n GLN 13 Cb 0.84 -0.82 0.76 0.00 0.11 0.00 0.00 30.24 31.14 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 -1.90 -1.09 2.10 0.05 0.85 116.57 116.57 1ib7 h LYS 14 Ca 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 1ib7 h LYS 14 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 1ib7 h LYS 14 CO 0.00 0.00 0.44 0.72 -2.00 0.00 0.00 179.45 178.61 1ib7 n HIS 15 N -3.88 1.71 -1.44 0.07 8.25 0.28 -4.36 115.22 115.85 1ib7 n HIS 15 Ca 0.38 -1.99 -0.10 0.00 -0.26 0.00 0.00 57.72 55.74 1ib7 n HIS 15 Cb 1.80 -1.31 0.18 0.00 1.12 0.00 0.00 29.99 31.78 1ib7 n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ib7 n LYS 16 N 0.67 2.00 -4.34 -0.41 2.85 0.29 -2.24 118.16 116.99 1ib7 n LYS 16 Ca 0.47 -3.20 -0.18 0.00 -1.05 0.00 0.00 58.31 54.35 1ib7 n LYS 16 Cb 0.54 -1.92 -0.10 0.00 -0.65 0.00 0.00 35.03 32.90 1ib7 n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ib7 s ASP 17 N -2.32 2.14 0.16 -5.58 1.11 -0.64 -4.92 116.67 106.63 1ib7 s ASP 17 Ca 0.48 -1.15 -0.22 0.00 0.18 0.00 0.00 52.55 51.84 1ib7 s ASP 17 Cb 0.43 -0.06 0.06 0.00 1.07 0.00 0.00 42.92 44.42 1ib7 s ASP 17 CO 0.02 -0.40 1.61 -1.28 1.18 0.00 0.00 175.17 176.30 1ib7 h SER 18 N 2.49 -1.00 -0.89 0.27 0.87 -1.97 0.19 113.55 113.52 1ib7 h SER 18 Ca -0.38 0.18 0.24 0.00 -1.23 0.00 0.00 61.79 60.60 1ib7 h SER 18 Cb 1.22 0.47 -0.15 0.00 -0.44 0.00 0.00 62.40 63.50 1ib7 h SER 18 CO 0.65 -0.31 0.16 0.11 -0.53 0.00 0.00 176.83 176.91 1ib7 h LYS 19 N -0.24 0.13 -3.01 2.24 1.79 -1.96 -3.29 116.57 112.23 1ib7 h LYS 19 Ca 0.17 -0.01 -0.55 0.00 -2.18 0.00 0.00 60.65 58.08 1ib7 h LYS 19 Cb 0.52 -0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 30.74 1ib7 h LYS 19 CO -0.51 0.09 -0.78 -1.54 -1.08 0.00 0.00 179.45 175.63 1ib7 s SER 20 N -5.06 3.65 -0.30 0.86 1.04 0.56 -4.94 113.70 109.50 1ib7 s SER 20 Ca -0.12 -1.47 -0.02 0.00 0.48 0.00 0.00 55.95 54.81 1ib7 s SER 20 Cb 0.26 -0.52 0.05 0.00 0.10 0.00 0.00 66.02 65.92 1ib7 s SER 20 CO 0.77 -0.42 0.01 -0.89 0.98 0.00 0.00 173.24 173.69 1ib7 s THR 21 N 1.86 3.05 0.30 2.02 2.01 -0.56 -1.62 115.64 122.71 1ib7 s THR 21 Ca 0.10 -1.37 0.10 0.00 0.31 0.00 0.00 61.69 60.82 1ib7 s THR 21 Cb -0.17 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1ib7 s THR 21 CO -0.31 -0.12 -0.04 0.26 -0.69 0.00 0.00 174.62 173.72 1ib7 s TRP 22 N 1.26 2.54 -0.28 4.92 0.52 -0.95 -2.98 118.94 123.97 1ib7 s TRP 22 Ca -0.05 -0.34 -0.10 0.00 0.02 0.00 0.00 56.10 55.63 1ib7 s TRP 22 Cb -0.20 -1.28 0.11 0.00 -1.15 0.00 0.00 33.47 30.96 1ib7 s TRP 22 CO -0.01 0.58 0.62 0.54 0.02 0.00 0.00 176.95 178.70 1ib7 s VAL 23 N -2.45 -0.77 -0.37 4.03 0.11 -1.22 -1.18 120.40 118.54 1ib7 s VAL 23 Ca 0.33 0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 59.12 1ib7 s VAL 23 Cb -0.03 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1ib7 s VAL 23 CO 0.19 0.01 1.77 -0.63 -3.33 0.00 0.00 175.10 173.10 1ib7 s ILE 24 N 2.62 3.50 -0.19 7.04 1.01 -1.21 -0.77 121.20 133.21 1ib7 s ILE 24 Ca -0.06 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 1ib7 s ILE 24 Cb -0.11 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1ib7 s ILE 24 CO -0.18 -0.51 -0.15 -0.76 0.00 0.00 0.00 174.94 173.34 1ib7 s LEU 25 N 7.03 2.40 -1.41 2.97 1.02 0.42 -3.69 118.68 127.43 1ib7 s LEU 25 Ca 0.76 -0.55 -0.13 0.00 0.02 0.00 0.00 54.13 54.23 1ib7 s LEU 25 Cb -0.20 -1.57 0.02 0.00 0.02 0.00 0.00 46.19 44.46 1ib7 s LEU 25 CO 0.32 0.01 0.25 1.41 0.02 0.00 0.00 176.35 178.36 1ib7 n HIS 26 N 4.59 -1.28 -3.54 0.29 8.25 -1.26 0.66 115.22 122.94 1ib7 n HIS 26 Ca -0.20 0.39 -0.20 0.00 -0.26 0.00 0.00 57.72 57.46 1ib7 n HIS 26 Cb 0.50 -2.74 0.06 0.00 1.12 0.00 0.00 29.99 28.93 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 -4.74 -2.08 -3.15 4.41 8.25 -1.26 -4.98 115.22 111.67 1ib7 n HIS 27 Ca -0.24 0.85 0.05 0.00 -0.26 0.00 0.00 57.72 58.12 1ib7 n HIS 27 Cb 0.64 -4.56 -0.01 0.00 1.12 0.00 0.00 29.99 27.18 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 -5.55 0.28 0.40 -0.41 1.02 0.21 -4.70 119.74 111.00 1ib7 s LYS 28 Ca 0.09 0.42 -0.27 0.00 0.02 0.00 0.00 55.97 56.23 1ib7 s LYS 28 Cb -0.02 0.22 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 1ib7 s LYS 28 CO 0.78 -0.39 1.39 0.14 -0.92 0.00 0.00 175.35 176.35 1ib7 s VAL 29 N 2.92 2.31 -0.29 3.17 -7.23 -0.89 -0.44 120.40 119.96 1ib7 s VAL 29 Ca 0.11 0.29 0.01 0.00 -1.81 0.00 0.00 61.98 60.57 1ib7 s VAL 29 Cb -0.09 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.73 1ib7 s VAL 29 CO -0.17 0.05 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.33 1ib7 s TYR 30 N -1.19 3.32 -1.29 2.82 1.51 0.05 -4.28 117.35 118.29 1ib7 s TYR 30 Ca 0.56 -2.16 -0.18 0.00 -1.01 0.00 0.00 57.07 54.28 1ib7 s TYR 30 Cb -0.42 -2.15 0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1ib7 s TYR 30 CO 0.56 -0.85 1.84 -3.47 -1.11 0.00 0.00 175.55 172.52 1ib7 n ASP 31 N 4.52 4.44 -2.06 2.29 -0.08 -0.83 -3.43 116.55 121.40 1ib7 n ASP 31 Ca -0.12 -2.87 -0.24 0.00 -1.51 0.00 0.00 54.79 50.06 1ib7 n ASP 31 Cb 0.43 -1.72 0.09 0.00 2.34 0.00 0.00 41.12 42.26 1ib7 n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ib7 n LEU 32 N 8.91 6.69 0.07 -2.67 -0.00 -1.16 -4.56 117.00 124.27 1ib7 n LEU 32 Ca 0.49 -3.58 -0.11 0.00 -0.00 0.00 0.00 56.01 52.80 1ib7 n LEU 32 Cb 0.45 -0.92 -0.05 0.00 -0.00 0.00 0.00 43.42 42.90 1ib7 n LEU 32 CO 0.78 1.20 0.77 0.74 -0.00 0.00 0.00 177.39 180.88 1ib7 h THR 33 N 0.91 0.65 -0.56 1.47 2.02 -1.84 1.56 112.91 117.12 1ib7 h THR 33 Ca 0.48 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.57 1ib7 h THR 33 Cb 1.44 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1ib7 h THR 33 CO 1.09 0.00 0.03 0.11 0.37 0.00 0.00 175.52 177.12 1ib7 h LYS 34 N -0.26 0.97 -0.78 6.66 6.56 -1.89 -2.08 116.57 125.75 1ib7 h LYS 34 Ca 0.04 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1ib7 h LYS 34 Cb 0.30 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1ib7 h LYS 34 CO -0.11 0.96 0.00 0.98 -2.06 0.00 0.00 179.45 179.22 1ib7 n TYR 35 N -4.27 0.96 -0.03 -1.35 9.36 -0.91 -4.04 117.16 116.86 1ib7 n TYR 35 Ca 0.02 -0.33 -0.15 0.00 3.32 0.00 0.00 57.90 60.76 1ib7 n TYR 35 Cb 0.31 -0.28 -0.12 0.00 -0.63 0.00 0.00 39.34 38.63 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 1.89 0.16 -0.02 2.98 7.12 0.30 -2.50 115.31 125.23 1ib7 h LEU 36 Ca 0.00 -0.78 0.00 0.00 0.13 0.00 0.00 57.88 57.23 1ib7 h LEU 36 Cb 1.16 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1ib7 h LEU 36 CO 0.22 0.92 -0.50 -0.62 -0.13 0.00 0.00 178.44 178.33 1ib7 n GLU 37 N -4.57 0.03 0.12 1.25 1.02 -1.26 -3.66 120.64 113.57 1ib7 n GLU 37 Ca -0.10 -0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1ib7 n GLU 37 Cb 0.47 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.04 0.00 -6.29 3.49 4.81 -1.70 -3.47 114.58 111.47 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 0.23 0.68 1.58 -0.73 0.00 0.00 179.01 180.77 1ib7 n HIS 39 N -2.98 1.85 0.16 0.92 -0.00 -0.94 -4.84 115.22 109.38 1ib7 n HIS 39 Ca -0.01 0.49 0.03 0.00 0.46 0.00 0.00 57.72 58.69 1ib7 n HIS 39 Cb 0.68 -2.43 0.20 0.00 -0.12 0.00 0.00 29.99 28.32 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 5.83 0.00 0.09 1.57 0.13 -1.91 -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 0.85 0.49 -0.05 0.78 -0.23 0.00 0.00 178.00 179.85 1ib7 h GLY 41 N 2.51 -0.13 -5.20 1.56 0.00 -1.99 -3.49 103.07 96.33 1ib7 h GLY 41 Ca -0.00 0.05 0.15 0.00 0.00 0.00 0.00 47.33 47.53 1ib7 h GLY 41 CO 0.06 -0.05 0.73 -0.32 0.00 0.00 0.00 176.54 176.97 1ib7 s GLY 42 N -1.58 0.03 0.00 4.60 0.00 -1.26 -5.01 107.32 104.11 1ib7 s GLY 42 Ca -0.02 2.81 0.28 0.00 0.00 0.00 0.00 44.72 47.79 1ib7 s GLY 42 CO 0.06 1.48 1.78 -1.84 0.00 0.00 0.00 173.10 174.58 1ib7 n GLU 43 N 1.23 0.33 -0.12 2.90 -0.00 -1.26 -3.98 120.64 119.75 1ib7 n GLU 43 Ca -0.08 -0.11 -0.22 0.00 -0.00 0.00 0.00 57.16 56.75 1ib7 n GLU 43 Cb 0.57 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.43 1ib7 n GLU 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ib7 n GLU 44 N -1.24 0.56 -0.54 3.44 2.13 -1.26 -3.28 120.64 120.45 1ib7 n GLU 44 Ca 0.10 0.33 0.45 0.00 0.66 0.00 0.00 57.16 58.71 1ib7 n GLU 44 Cb 0.31 -1.54 0.70 0.00 0.27 0.00 0.00 31.44 31.17 1ib7 n GLU 44 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1ib7 h VAL 45 N -1.00 0.01 0.00 6.31 3.04 -1.96 2.01 116.25 124.66 1ib7 h VAL 45 Ca -0.43 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.09 1ib7 h VAL 45 Cb 1.34 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.61 1ib7 h VAL 45 CO -0.26 0.00 -0.93 -0.07 -1.01 0.00 0.00 177.57 175.30 1ib7 h LEU 46 N 0.00 0.02 0.75 3.16 3.38 -1.74 -3.34 115.31 117.53 1ib7 h LEU 46 Ca 0.79 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1ib7 h LEU 46 Cb 3.49 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 44.24 1ib7 h LEU 46 CO -0.01 1.36 -0.36 0.03 0.09 0.00 0.00 178.44 179.56 1ib7 h ARG 47 N -0.97 -0.97 -0.67 1.13 3.08 0.16 1.22 114.38 117.36 1ib7 h ARG 47 Ca -0.25 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.07 1ib7 h ARG 47 Cb 1.24 0.22 -0.12 0.00 0.08 0.00 0.00 29.97 31.39 1ib7 h ARG 47 CO -0.14 -0.64 0.09 -1.91 -1.07 0.00 0.00 179.97 176.29 1ib7 n GLU 48 N -5.42 -0.05 -2.52 0.04 2.13 0.58 0.66 120.64 116.05 1ib7 n GLU 48 Ca -0.12 0.99 -0.18 0.00 0.66 0.00 0.00 57.16 58.51 1ib7 n GLU 48 Cb 0.40 -1.61 0.02 0.00 0.27 0.00 0.00 31.44 30.51 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 2.47 0.00 5.31 10.64 -1.16 -4.93 117.38 124.90 1ib7 n GLN 49 Ca 0.18 -3.92 0.00 0.00 -1.83 0.00 0.00 57.00 51.43 1ib7 n GLN 49 Cb 0.60 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 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 -0.37 0.00 -0.57 2.61 0.00 0.42 -3.95 120.51 118.65 1ib7 n ALA 50 Ca 0.26 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.15 1ib7 n ALA 50 Cb 0.77 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.96 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 0.70 0.00 0.00 0.00 -1.10 -3.32 103.07 99.36 1ib7 h GLY 51 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ib7 h GLY 51 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 176.54 176.91 1ib7 n GLY 52 N -1.71 -3.42 2.73 4.60 0.00 -1.25 -4.49 105.19 101.64 1ib7 n GLY 52 Ca 0.41 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 2.13 -0.25 1.61 -4.77 -1.26 -3.36 116.67 108.79 1ib7 s ASP 53 Ca 0.00 -0.41 0.12 0.00 -3.30 0.00 0.00 52.55 48.96 1ib7 s ASP 53 Cb 0.00 -0.44 0.51 0.00 -1.09 0.00 0.00 42.92 41.90 1ib7 s ASP 53 CO 0.00 -0.26 1.45 0.00 0.70 0.00 0.00 175.17 177.06 1ib7 n ALA 54 N 5.14 3.78 -0.21 2.11 0.00 -1.24 -4.79 120.51 125.30 1ib7 n ALA 54 Ca -0.07 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1ib7 n ALA 54 Cb 0.49 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1ib7 n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ib7 n THR 55 N -0.91 0.00 -0.15 0.00 -1.04 -1.24 0.15 114.28 111.09 1ib7 n THR 55 Ca 0.29 1.40 0.03 0.00 -2.04 0.00 0.00 64.05 63.72 1ib7 n THR 55 Cb 0.99 -2.16 0.32 0.00 -1.82 0.00 0.00 70.33 67.66 1ib7 n THR 55 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ib7 h GLU 56 N 0.00 0.81 0.00 -2.82 5.08 -1.93 0.34 114.58 116.06 1ib7 h GLU 56 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ib7 h GLU 56 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1ib7 h GLU 56 CO 0.00 0.53 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.57 1ib7 h ASN 57 N 0.83 0.00 0.11 1.42 4.21 -1.76 1.89 115.58 122.27 1ib7 h ASN 57 Ca 0.25 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.39 1ib7 h ASN 57 Cb -0.02 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 1ib7 h ASN 57 CO -0.06 0.06 -2.08 0.33 -1.29 0.00 0.00 177.43 174.39 1ib7 n PHE 58 N -3.55 1.05 0.08 1.19 -0.00 0.40 -3.68 117.46 112.95 1ib7 n PHE 58 Ca -0.02 0.22 -0.07 0.00 -0.00 0.00 0.00 57.45 57.58 1ib7 n PHE 58 Cb 0.18 -1.14 -0.04 0.00 -0.00 0.00 0.00 39.48 38.48 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 0.06 0.06 -0.52 -4.13 5.08 -0.04 -2.97 114.58 112.13 1ib7 h GLU 59 Ca -0.45 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1ib7 h GLU 59 Cb 2.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 1ib7 h GLU 59 CO 0.06 0.93 0.23 0.22 -1.00 0.00 0.00 179.01 179.45 1ib7 h ASP 60 N 0.03 0.69 0.86 1.42 3.58 0.28 -0.64 116.42 122.63 1ib7 h ASP 60 Ca -0.03 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1ib7 h ASP 60 Cb 1.58 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1ib7 h ASP 60 CO 0.13 0.64 0.00 -0.37 -2.88 0.00 0.00 179.24 176.76 1ib7 h VAL 61 N 0.69 0.00 -5.26 2.25 -1.51 -1.63 -3.48 116.25 107.31 1ib7 h VAL 61 Ca 0.18 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.28 1ib7 h VAL 61 Cb 0.15 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1ib7 h VAL 61 CO -0.02 0.00 -0.75 0.61 -1.23 0.00 0.00 177.57 176.18 1ib7 n GLY 62 N 0.01 -2.67 3.77 5.19 0.00 -0.25 -4.92 105.19 106.31 1ib7 n GLY 62 Ca 0.01 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.11 3.27 0.80 1.61 3.76 -1.24 -5.02 115.29 116.35 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 -0.04 -3.52 0.08 0.00 1.11 0.00 0.00 32.58 30.21 1ib7 s HIS 63 CO 0.77 -1.32 1.16 -1.12 -0.85 0.00 0.00 174.74 173.38 1ib7 s SER 64 N -0.65 4.53 0.22 1.40 0.01 -1.26 -4.89 113.70 113.06 1ib7 s SER 64 Ca 0.47 0.75 -0.09 0.00 1.31 0.00 0.00 55.95 58.39 1ib7 s SER 64 Cb -0.37 -1.25 0.32 0.00 0.21 0.00 0.00 66.02 64.94 1ib7 s SER 64 CO 0.48 -1.88 1.70 0.74 0.41 0.00 0.00 173.24 174.70 1ib7 h THR 65 N -1.01 0.63 -0.99 1.44 2.02 -2.00 0.12 112.91 113.12 1ib7 h THR 65 Ca -0.46 -0.09 0.36 0.00 0.77 0.00 0.00 66.41 66.99 1ib7 h THR 65 Cb 1.33 0.33 -0.17 0.00 -1.74 0.00 0.00 68.15 67.90 1ib7 h THR 65 CO 0.65 0.05 0.46 0.44 0.37 0.00 0.00 175.52 177.50 1ib7 h ASP 66 N 0.27 0.26 -0.21 4.18 3.32 -2.01 1.42 116.42 123.65 1ib7 h ASP 66 Ca 0.33 0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.57 1ib7 h ASP 66 Cb 0.50 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1ib7 h ASP 66 CO -0.42 -0.31 -0.05 0.00 -1.72 0.00 0.00 179.24 176.75 1ib7 h ALA 67 N 1.93 0.29 -0.99 3.45 0.00 -1.11 -2.73 119.26 120.10 1ib7 h ALA 67 Ca 0.76 -0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.76 1ib7 h ALA 67 Cb 1.86 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 19.42 1ib7 h ALA 67 CO -0.73 0.06 0.49 -0.09 0.00 0.00 0.00 179.25 178.98 1ib7 h ARG 68 N 0.12 0.19 0.18 0.00 2.43 0.22 0.93 114.38 118.45 1ib7 h ARG 68 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1ib7 h ARG 68 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ib7 h ARG 68 CO 0.02 0.12 -0.09 0.93 -1.51 0.00 0.00 179.97 179.45 1ib7 h GLU 69 N 0.19 -0.23 0.31 0.20 4.39 -1.17 -2.83 114.58 115.43 1ib7 h GLU 69 Ca 0.74 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.45 1ib7 h GLU 69 Cb 1.77 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1ib7 h GLU 69 CO -0.68 0.15 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.04 1ib7 h LEU 70 N -0.71 -0.54 -0.64 1.33 4.07 -0.23 0.14 115.31 118.73 1ib7 h LEU 70 Ca -0.02 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.04 1ib7 h LEU 70 Cb 0.50 0.16 -0.08 0.00 1.08 0.00 0.00 40.66 42.32 1ib7 h LEU 70 CO 0.04 -0.31 -0.34 -1.20 -1.08 0.00 0.00 178.44 175.55 1ib7 n SER 71 N -3.59 -0.61 0.03 -0.43 7.64 0.29 0.23 113.62 117.18 1ib7 n SER 71 Ca -0.06 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.84 1ib7 n SER 71 Cb 0.21 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.17 -0.34 1.43 6.56 -1.33 -0.28 116.57 122.44 1ib7 h LYS 72 Ca 0.13 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.80 1ib7 h LYS 72 Cb 0.29 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1ib7 h LYS 72 CO -0.61 -0.11 0.23 1.15 -2.06 0.00 0.00 179.45 178.05 1ib7 h THR 73 N -0.18 0.92 -1.16 -0.16 2.02 0.52 -0.99 112.91 113.87 1ib7 h THR 73 Ca 0.06 -0.06 -0.69 0.00 0.77 0.00 0.00 66.41 66.49 1ib7 h THR 73 Cb 0.26 0.74 -0.29 0.00 -1.74 0.00 0.00 68.15 67.12 1ib7 h THR 73 CO -0.15 0.03 0.91 -1.22 0.37 0.00 0.00 175.52 175.45 1ib7 n TYR 74 N -4.47 3.20 -5.03 3.16 4.02 0.63 -4.93 117.16 113.74 1ib7 n TYR 74 Ca 0.04 -2.92 -0.32 0.00 -0.01 0.00 0.00 57.90 54.69 1ib7 n TYR 74 Cb 0.29 -1.41 -0.14 0.00 -0.02 0.00 0.00 39.34 38.06 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 -4.87 2.73 0.00 -0.72 2.07 -0.38 -1.97 121.20 118.06 1ib7 s ILE 75 Ca 0.63 -0.85 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1ib7 s ILE 75 Cb 0.50 -2.04 0.00 0.00 0.13 0.00 0.00 42.46 41.05 1ib7 s ILE 75 CO -0.08 0.59 0.00 2.30 -1.91 0.00 0.00 174.94 175.84 1ib7 n ILE 76 N 2.36 0.00 -3.32 2.00 -0.00 -1.26 -4.96 119.36 114.17 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 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.69 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 3.10 -0.72 3.62 3.28 0.00 -1.26 -4.58 105.19 108.64 1ib7 n GLY 77 Ca 0.00 -0.80 -0.28 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 -0.64 1.97 -0.01 1.61 -1.05 -0.17 -2.08 118.70 118.32 1ib7 s GLU 78 Ca 0.00 -2.11 -0.05 0.00 -0.15 0.00 0.00 54.97 52.66 1ib7 s GLU 78 Cb 0.00 -1.65 -0.04 0.00 -0.44 0.00 0.00 34.13 32.00 1ib7 s GLU 78 CO 0.00 -0.05 0.22 -0.48 0.95 0.00 0.00 175.26 175.90 1ib7 s LEU 79 N -3.72 4.37 -0.46 1.83 -0.00 -1.26 -0.59 118.68 118.85 1ib7 s LEU 79 Ca 0.35 0.47 -0.43 0.00 -0.00 0.00 0.00 54.13 54.52 1ib7 s LEU 79 Cb 0.10 -2.58 -0.19 0.00 -0.00 0.00 0.00 46.19 43.53 1ib7 s LEU 79 CO 0.18 0.28 1.48 1.57 -0.00 0.00 0.00 176.35 179.86 1ib7 n HIS 80 N 1.17 1.62 1.16 3.48 -0.00 0.55 -4.69 115.22 118.51 1ib7 n HIS 80 Ca -0.12 1.06 0.11 0.00 -0.00 0.00 0.00 57.72 58.78 1ib7 n HIS 80 Cb 0.53 -2.06 0.60 0.00 -0.00 0.00 0.00 29.99 29.06 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 3.69 0.41 0.09 1.57 -0.04 -1.26 -1.75 135.00 137.71 1ib7 n PRO 81 Ca 0.29 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1ib7 n PRO 81 Cb -0.05 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.98 -3.26 116.42 118.60 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 0.17 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1ib7 h ASP 82 CO 0.00 1.26 -0.88 0.47 -2.88 0.00 0.00 179.24 177.21 1ib7 n ASP 83 N -3.47 1.23 0.32 2.28 8.00 -1.06 -4.18 116.55 119.67 1ib7 n ASP 83 Ca -0.06 -1.12 0.19 0.00 0.71 0.00 0.00 54.79 54.51 1ib7 n ASP 83 Cb 1.00 0.88 1.06 0.00 -0.02 0.00 0.00 41.12 44.04 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 0.56 0.00 -1.39 -1.24 -0.00 -1.38 -1.40 114.38 109.53 1ib7 h ARG 84 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 59.98 59.32 1ib7 h ARG 84 Cb 0.56 0.00 -0.35 0.00 -0.00 0.00 0.00 29.97 30.18 1ib7 h ARG 84 CO 0.00 0.00 0.16 0.45 -0.00 0.00 0.00 179.97 180.59 1ib7 n SER 85 N -3.47 6.30 -2.32 0.08 2.88 -1.26 -4.69 113.62 111.14 1ib7 n SER 85 Ca -0.03 -3.78 -0.34 0.00 -1.33 0.00 0.00 58.87 53.39 1ib7 n SER 85 Cb 0.08 -0.74 0.09 0.00 -0.75 0.00 0.00 64.21 62.89 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 -0.65 2.64 -0.09 -1.46 4.81 -0.53 -4.41 118.16 118.47 1ib7 n LYS 86 Ca 0.50 -3.26 -0.09 0.00 -0.87 0.00 0.00 58.31 54.59 1ib7 n LYS 86 Cb 0.59 -2.28 -0.03 0.00 0.02 0.00 0.00 35.03 33.34 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1ib7 n ILE 87 N -0.95 1.50 0.49 3.15 -0.00 -1.26 -5.16 119.36 117.13 1ib7 n ILE 87 Ca 0.63 0.13 0.04 0.00 -0.00 0.00 0.00 62.75 63.54 1ib7 n ILE 87 Cb 0.77 -2.34 0.23 0.00 -0.00 0.00 0.00 39.64 38.31 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55