#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 3.35 -0.50 1.45 -0.14 -1.26 -5.01 119.74 117.63 1ib7 s LYS 5 Ca 0.00 -0.65 -0.15 0.00 -1.36 0.00 0.00 55.97 53.81 1ib7 s LYS 5 Cb 0.00 -2.89 0.11 0.00 -1.68 0.00 0.00 37.83 33.36 1ib7 s LYS 5 CO 0.00 -0.11 0.44 0.71 -0.76 0.00 0.00 175.35 175.63 1ib7 s TYR 6 N 1.21 3.27 0.16 3.18 2.02 -1.23 -1.00 117.35 124.97 1ib7 s TYR 6 Ca 0.02 -1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 55.39 1ib7 s TYR 6 Cb -0.14 -3.51 -0.07 0.00 -0.40 0.00 0.00 41.96 37.84 1ib7 s TYR 6 CO -0.02 -0.93 0.51 0.71 -1.57 0.00 0.00 175.55 174.24 1ib7 s TYR 7 N 1.58 3.52 0.46 2.71 2.02 0.35 -4.50 117.35 123.50 1ib7 s TYR 7 Ca 0.04 0.90 -0.21 0.00 -0.37 0.00 0.00 57.07 57.43 1ib7 s TYR 7 Cb -0.27 -2.26 -0.09 0.00 -0.40 0.00 0.00 41.96 38.94 1ib7 s TYR 7 CO 0.04 0.39 1.03 0.95 -1.57 0.00 0.00 175.55 176.39 1ib7 s THR 8 N -1.60 3.83 0.14 -0.71 -4.23 -1.26 0.22 115.64 112.03 1ib7 s THR 8 Ca 0.41 1.19 0.20 0.00 -1.18 0.00 0.00 61.69 62.30 1ib7 s THR 8 Cb -0.13 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.39 1ib7 s THR 8 CO 0.20 -0.19 1.54 0.17 -0.54 0.00 0.00 174.62 175.80 1ib7 h LEU 9 N 1.80 0.00 -0.22 4.79 -0.00 -1.95 0.33 115.31 120.05 1ib7 h LEU 9 Ca -0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.25 1ib7 h LEU 9 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1ib7 h LEU 9 CO 0.60 0.00 -0.40 -0.33 -0.00 0.00 0.00 178.44 178.31 1ib7 h GLU 10 N 0.00 0.67 -0.01 0.17 5.08 -1.98 -3.24 114.58 115.26 1ib7 h GLU 10 Ca 0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1ib7 h GLU 10 Cb 0.48 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ib7 h GLU 10 CO 0.00 1.03 -0.04 1.49 -1.00 0.00 0.00 179.01 180.49 1ib7 h GLU 11 N 0.37 -0.04 -0.75 2.33 4.57 -0.70 -0.71 114.58 119.65 1ib7 h GLU 11 Ca 0.01 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 1ib7 h GLU 11 Cb 0.99 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.48 1ib7 h GLU 11 CO 0.09 -0.03 -0.31 0.44 -1.18 0.00 0.00 179.01 178.02 1ib7 n ILE 12 N -2.80 -0.41 -0.23 2.32 -0.00 -1.25 0.28 119.36 117.28 1ib7 n ILE 12 Ca -0.00 1.76 0.04 0.00 -0.00 0.00 0.00 62.75 64.55 1ib7 n ILE 12 Cb 0.03 -2.31 0.15 0.00 -0.00 0.00 0.00 39.64 37.51 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 0.20 -0.15 6.28 1.08 -1.35 0.82 115.11 121.99 1ib7 h GLN 13 Ca 0.25 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1ib7 h GLN 13 Cb 0.43 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1ib7 h GLN 13 CO -0.74 0.13 0.07 0.87 -0.95 0.00 0.00 178.83 178.21 1ib7 h LYS 14 N 0.20 0.20 -2.44 1.46 1.79 0.55 -2.77 116.57 115.56 1ib7 h LYS 14 Ca 0.38 -0.02 -0.76 0.00 -2.18 0.00 0.00 60.65 58.07 1ib7 h LYS 14 Cb 0.64 -0.04 -0.19 0.00 -1.58 0.00 0.00 32.23 31.06 1ib7 h LYS 14 CO -0.53 0.16 1.79 0.72 -1.08 0.00 0.00 179.45 180.52 1ib7 n HIS 15 N -4.48 2.65 -1.20 -1.35 8.25 0.28 -4.51 115.22 114.87 1ib7 n HIS 15 Ca -0.01 -2.69 0.00 0.00 -0.26 0.00 0.00 57.72 54.76 1ib7 n HIS 15 Cb 0.11 -1.56 0.24 0.00 1.12 0.00 0.00 29.99 29.89 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 0.94 2.52 -4.28 -0.41 4.81 -1.05 -2.74 118.16 117.96 1ib7 n LYS 16 Ca 0.56 -3.02 -0.15 0.00 -0.87 0.00 0.00 58.31 54.83 1ib7 n LYS 16 Cb 0.26 -1.89 -0.10 0.00 0.02 0.00 0.00 35.03 33.31 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 -2.05 1.10 0.15 3.14 1.01 -1.12 -4.98 116.67 113.92 1ib7 s ASP 17 Ca 0.45 -1.32 -0.17 0.00 0.71 0.00 0.00 52.55 52.22 1ib7 s ASP 17 Cb 0.39 0.17 0.03 0.00 1.01 0.00 0.00 42.92 44.52 1ib7 s ASP 17 CO 0.06 -0.69 1.74 -1.28 0.21 0.00 0.00 175.17 175.21 1ib7 h SER 18 N 2.50 0.07 -0.90 0.27 0.87 -1.96 -1.35 113.55 113.05 1ib7 h SER 18 Ca -0.38 0.04 0.25 0.00 -1.23 0.00 0.00 61.79 60.47 1ib7 h SER 18 Cb 1.23 0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 63.08 1ib7 h SER 18 CO 0.61 0.08 0.21 0.11 -0.53 0.00 0.00 176.83 177.30 1ib7 h LYS 19 N 0.21 0.15 -2.85 2.24 1.57 -1.97 -3.29 116.57 112.64 1ib7 h LYS 19 Ca 0.14 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.37 1ib7 h LYS 19 Cb 0.13 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.01 1ib7 h LYS 19 CO -0.16 0.10 -0.78 -1.54 -0.57 0.00 0.00 179.45 176.49 1ib7 s SER 20 N -5.04 3.53 -0.31 0.86 1.04 -0.56 -4.95 113.70 108.26 1ib7 s SER 20 Ca -0.12 -1.44 -0.06 0.00 0.48 0.00 0.00 55.95 54.81 1ib7 s SER 20 Cb 0.27 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1ib7 s SER 20 CO 0.77 -0.42 0.07 -0.89 0.98 0.00 0.00 173.24 173.76 1ib7 s THR 21 N 1.92 3.75 0.24 2.02 2.01 -0.88 -2.78 115.64 121.93 1ib7 s THR 21 Ca 0.10 -0.93 0.12 0.00 0.31 0.00 0.00 61.69 61.29 1ib7 s THR 21 Cb -0.17 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1ib7 s THR 21 CO -0.31 -0.02 -0.20 0.26 -0.69 0.00 0.00 174.62 173.66 1ib7 s TRP 22 N 1.43 2.33 -0.23 4.92 0.52 -1.11 -2.30 118.94 124.52 1ib7 s TRP 22 Ca 0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 56.10 55.71 1ib7 s TRP 22 Cb -0.18 -1.07 0.10 0.00 -1.15 0.00 0.00 33.47 31.17 1ib7 s TRP 22 CO 0.02 0.63 0.49 0.54 0.02 0.00 0.00 176.95 178.65 1ib7 s VAL 23 N -2.16 -0.70 -0.44 4.03 0.11 -1.16 -1.15 120.40 118.92 1ib7 s VAL 23 Ca 0.27 0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 59.15 1ib7 s VAL 23 Cb -0.06 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1ib7 s VAL 23 CO 0.13 0.05 1.77 -0.63 -3.33 0.00 0.00 175.10 173.09 1ib7 s ILE 24 N 2.61 3.49 -0.20 7.04 1.01 -1.23 -0.13 121.20 133.79 1ib7 s ILE 24 Ca -0.03 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 1ib7 s ILE 24 Cb -0.12 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1ib7 s ILE 24 CO -0.15 -0.64 -0.12 -0.76 0.00 0.00 0.00 174.94 173.27 1ib7 s LEU 25 N 7.52 2.52 -1.20 2.97 1.02 0.14 -3.61 118.68 128.04 1ib7 s LEU 25 Ca 0.73 -0.51 -0.34 0.00 0.02 0.00 0.00 54.13 54.03 1ib7 s LEU 25 Cb -0.18 -1.61 0.05 0.00 0.02 0.00 0.00 46.19 44.47 1ib7 s LEU 25 CO 0.29 -0.00 0.68 0.00 0.02 0.00 0.00 176.35 177.33 1ib7 n HIS 26 N 4.64 -1.41 -3.88 0.29 1.44 -1.26 0.67 115.22 115.71 1ib7 n HIS 26 Ca -0.19 0.09 -0.25 0.00 -2.01 0.00 0.00 57.72 55.36 1ib7 n HIS 26 Cb 0.51 -2.76 0.00 0.00 0.12 0.00 0.00 29.99 27.86 1ib7 n HIS 26 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1ib7 n HIS 27 N -4.96 -1.81 -3.15 -1.40 1.44 -1.26 -4.94 115.22 99.14 1ib7 n HIS 27 Ca -0.12 0.80 0.05 0.00 -2.01 0.00 0.00 57.72 56.43 1ib7 n HIS 27 Cb 0.57 -3.95 -0.01 0.00 0.12 0.00 0.00 29.99 26.72 1ib7 n HIS 27 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1ib7 s LYS 28 N -6.38 0.40 0.42 -1.40 1.02 0.21 -4.60 119.74 109.41 1ib7 s LYS 28 Ca 0.11 0.63 -0.26 0.00 0.02 0.00 0.00 55.97 56.48 1ib7 s LYS 28 Cb -0.06 0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 37.51 1ib7 s LYS 28 CO 0.86 -0.50 1.32 0.14 -0.92 0.00 0.00 175.35 176.25 1ib7 s VAL 29 N 2.90 2.53 -0.27 3.17 -7.23 -0.91 0.25 120.40 120.83 1ib7 s VAL 29 Ca 0.12 0.46 0.01 0.00 -1.81 0.00 0.00 61.98 60.77 1ib7 s VAL 29 Cb -0.11 -3.27 0.05 0.00 0.56 0.00 0.00 36.38 33.61 1ib7 s VAL 29 CO -0.18 0.06 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.29 1ib7 s TYR 30 N -1.27 3.23 -1.28 2.82 1.51 0.81 -4.33 117.35 118.85 1ib7 s TYR 30 Ca 0.58 -2.07 -0.19 0.00 -1.01 0.00 0.00 57.07 54.39 1ib7 s TYR 30 Cb -0.39 -2.00 0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1ib7 s TYR 30 CO 0.49 -0.84 1.84 -3.47 -1.11 0.00 0.00 175.55 172.46 1ib7 n ASP 31 N 4.53 4.39 -2.64 2.29 2.03 -0.77 -2.98 116.55 123.40 1ib7 n ASP 31 Ca -0.14 -2.86 -0.36 0.00 0.52 0.00 0.00 54.79 51.95 1ib7 n ASP 31 Cb 0.43 -1.72 0.04 0.00 -0.72 0.00 0.00 41.12 39.15 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 9.26 7.40 -0.01 -2.67 -0.00 -0.97 -4.60 117.00 125.41 1ib7 n LEU 32 Ca 0.49 -4.50 -0.13 0.00 -0.00 0.00 0.00 56.01 51.87 1ib7 n LEU 32 Cb 0.45 -1.06 -0.09 0.00 -0.00 0.00 0.00 43.42 42.71 1ib7 n LEU 32 CO 0.78 1.64 0.68 0.74 -0.00 0.00 0.00 177.39 181.23 1ib7 h THR 33 N 1.66 1.32 -0.19 1.47 2.02 -1.85 0.12 112.91 117.45 1ib7 h THR 33 Ca 0.54 -0.94 -0.15 0.00 0.77 0.00 0.00 66.41 66.64 1ib7 h THR 33 Cb 0.38 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1ib7 h THR 33 CO 1.38 0.24 -0.50 0.11 0.37 0.00 0.00 175.52 177.13 1ib7 h LYS 34 N -0.38 0.53 -0.73 6.66 6.56 -1.88 -2.58 116.57 124.74 1ib7 h LYS 34 Ca 0.00 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1ib7 h LYS 34 Cb 0.40 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1ib7 h LYS 34 CO 0.00 0.90 0.00 0.98 -2.06 0.00 0.00 179.45 179.27 1ib7 n TYR 35 N -3.98 0.97 -0.01 -1.35 9.36 -1.19 -4.03 117.16 116.93 1ib7 n TYR 35 Ca -0.03 -0.35 -0.16 0.00 3.32 0.00 0.00 57.90 60.68 1ib7 n TYR 35 Cb 0.57 -0.26 -0.12 0.00 -0.63 0.00 0.00 39.34 38.89 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 2.03 0.30 -0.25 2.98 7.12 -0.32 -2.46 115.31 124.72 1ib7 h LEU 36 Ca 0.00 -0.84 0.00 0.00 0.13 0.00 0.00 57.88 57.17 1ib7 h LEU 36 Cb 1.14 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1ib7 h LEU 36 CO 0.21 1.10 -0.37 -1.84 -0.13 0.00 0.00 178.44 177.42 1ib7 n GLU 37 N -4.39 0.42 0.05 1.25 0.28 -1.26 -3.67 120.64 113.32 1ib7 n GLU 37 Ca -0.11 -0.25 0.01 0.00 -0.16 0.00 0.00 57.16 56.65 1ib7 n GLU 37 Cb 0.59 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.91 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 0.60 0.00 -6.23 3.44 4.57 -1.70 -3.47 114.58 111.79 1ib7 h GLU 38 Ca 0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.49 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 0.31 0.84 1.58 -1.18 0.00 0.00 179.01 180.56 1ib7 n HIS 39 N -2.93 2.01 0.09 0.92 -0.00 -0.93 -4.84 115.22 109.55 1ib7 n HIS 39 Ca -0.07 0.43 -0.06 0.00 0.46 0.00 0.00 57.72 58.47 1ib7 n HIS 39 Cb 0.81 -2.48 0.04 0.00 -0.12 0.00 0.00 29.99 28.25 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 6.95 0.13 0.50 1.57 0.13 -1.91 -3.34 132.00 136.03 1ib7 h PRO 40 Ca -0.47 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1ib7 h PRO 40 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ib7 h PRO 40 CO 0.91 0.85 -0.24 0.78 -0.23 0.00 0.00 178.00 180.07 1ib7 h GLY 41 N 1.94 -0.70 -4.79 1.56 0.00 -1.99 -3.48 103.07 95.61 1ib7 h GLY 41 Ca -0.02 0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.73 1ib7 h GLY 41 CO 0.11 -0.25 0.75 -0.32 0.00 0.00 0.00 176.54 176.83 1ib7 s GLY 42 N -1.68 -0.06 0.16 4.60 0.00 -1.25 -5.03 107.32 104.06 1ib7 s GLY 42 Ca -0.10 2.52 0.23 0.00 0.00 0.00 0.00 44.72 47.36 1ib7 s GLY 42 CO 0.29 1.15 1.01 -1.84 0.00 0.00 0.00 173.10 173.71 1ib7 n GLU 43 N 0.73 0.56 -0.08 2.90 0.28 -1.26 -4.17 120.64 119.60 1ib7 n GLU 43 Ca -0.05 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 1ib7 n GLU 43 Cb 0.58 -1.77 -0.08 0.00 1.43 0.00 0.00 31.44 31.60 1ib7 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ib7 h GLU 44 N 0.00 0.00 -1.85 3.44 4.81 -1.96 -2.99 114.58 116.03 1ib7 h GLU 44 Ca 0.00 0.00 0.54 0.00 -0.13 0.00 0.00 59.36 59.77 1ib7 h GLU 44 Cb 0.96 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.27 1ib7 h GLU 44 CO 0.00 0.61 1.40 1.55 -0.73 0.00 0.00 179.01 181.84 1ib7 n VAL 45 N -4.57 0.00 -0.06 0.32 3.14 -1.26 0.25 118.33 116.15 1ib7 n VAL 45 Ca -0.16 1.46 -0.04 0.00 -2.96 0.00 0.00 64.34 62.63 1ib7 n VAL 45 Cb 0.43 -2.45 -0.03 0.00 -1.06 0.00 0.00 33.84 30.73 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 0.55 6.55 3.38 -1.73 -3.32 115.31 120.74 1ib7 h LEU 46 Ca 0.88 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.65 1ib7 h LEU 46 Cb 3.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 44.43 1ib7 h LEU 46 CO -0.01 0.67 -0.26 0.03 0.09 0.00 0.00 178.44 178.96 1ib7 h ARG 47 N -1.00 -0.71 -0.69 1.13 3.08 0.45 1.24 114.38 117.88 1ib7 h ARG 47 Ca -0.02 0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.28 1ib7 h ARG 47 Cb 0.31 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.40 1ib7 h ARG 47 CO -0.01 -0.46 0.04 -1.91 -1.07 0.00 0.00 179.97 176.56 1ib7 n GLU 48 N -5.40 -0.05 -2.56 0.04 2.13 0.69 0.11 120.64 115.60 1ib7 n GLU 48 Ca -0.12 1.03 -0.15 0.00 0.66 0.00 0.00 57.16 58.57 1ib7 n GLU 48 Cb 0.31 -1.65 0.02 0.00 0.27 0.00 0.00 31.44 30.39 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 -4.90 2.23 0.00 5.31 10.64 -1.04 -4.94 117.38 124.68 1ib7 n GLN 49 Ca 0.17 -3.80 0.00 0.00 -1.83 0.00 0.00 57.00 51.54 1ib7 n GLN 49 Cb 0.56 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 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 -0.62 2.61 0.00 0.42 -3.76 120.51 118.83 1ib7 n ALA 50 Ca 0.22 0.00 0.49 0.00 0.00 0.00 0.00 53.44 54.15 1ib7 n ALA 50 Cb 0.78 0.00 0.79 0.00 0.00 0.00 0.00 19.45 21.02 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 0.26 0.00 0.00 0.00 -1.24 -3.33 103.07 98.76 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 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.06 1ib7 n GLY 52 N -1.83 -3.49 2.73 4.60 0.00 -1.25 -4.45 105.19 101.50 1ib7 n GLY 52 Ca 0.42 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 2.39 -0.25 1.61 -4.77 -1.25 -3.47 116.67 108.93 1ib7 s ASP 53 Ca 0.00 -0.55 0.12 0.00 -3.30 0.00 0.00 52.55 48.82 1ib7 s ASP 53 Cb 0.00 -0.49 0.50 0.00 -1.09 0.00 0.00 42.92 41.84 1ib7 s ASP 53 CO 0.00 -0.28 1.43 0.00 0.70 0.00 0.00 175.17 177.03 1ib7 n ALA 54 N 5.12 3.80 -0.15 2.11 0.00 -1.25 -4.79 120.51 125.35 1ib7 n ALA 54 Ca -0.08 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1ib7 n ALA 54 Cb 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.96 0.00 -0.24 0.00 -1.04 -1.24 0.76 114.28 111.56 1ib7 n THR 55 Ca 0.29 1.42 -0.04 0.00 -2.04 0.00 0.00 64.05 63.68 1ib7 n THR 55 Cb 0.97 -2.18 0.07 0.00 -1.82 0.00 0.00 70.33 67.38 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 0.80 -0.10 -2.82 4.39 -1.93 0.31 114.58 115.23 1ib7 h GLU 56 Ca 0.00 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1ib7 h GLU 56 Cb 0.00 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1ib7 h GLU 56 CO 0.00 0.53 0.23 -0.91 -1.16 0.00 0.00 179.01 177.70 1ib7 h ASN 57 N 0.82 0.00 0.09 1.42 4.21 -1.81 2.50 115.58 122.81 1ib7 h ASN 57 Ca 0.27 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.41 1ib7 h ASN 57 Cb 0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 1ib7 h ASN 57 CO -0.10 0.00 -2.15 0.33 -1.29 0.00 0.00 177.43 174.22 1ib7 n PHE 58 N -3.33 0.85 0.07 1.19 -0.00 0.23 -3.76 117.46 112.71 1ib7 n PHE 58 Ca -0.00 0.18 -0.13 0.00 -0.00 0.00 0.00 57.45 57.51 1ib7 n PHE 58 Cb 0.32 -1.11 -0.04 0.00 -0.00 0.00 0.00 39.48 38.64 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 0.05 0.37 -0.60 -4.13 5.08 0.11 -2.94 114.58 112.52 1ib7 h GLU 59 Ca -0.47 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 57.50 1ib7 h GLU 59 Cb 1.99 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.33 1ib7 h GLU 59 CO 0.03 1.08 0.39 0.22 -1.00 0.00 0.00 179.01 179.73 1ib7 h ASP 60 N 0.20 0.66 0.76 1.42 3.58 0.40 0.13 116.42 123.58 1ib7 h ASP 60 Ca -0.07 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1ib7 h ASP 60 Cb 1.58 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1ib7 h ASP 60 CO 0.16 0.47 0.00 -0.37 -2.88 0.00 0.00 179.24 176.62 1ib7 h VAL 61 N 0.78 0.00 -5.42 2.25 -1.51 -1.64 -3.48 116.25 107.23 1ib7 h VAL 61 Ca 0.23 -0.29 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 1ib7 h VAL 61 Cb -0.05 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1ib7 h VAL 61 CO -0.07 0.00 -0.84 0.61 -1.23 0.00 0.00 177.57 176.04 1ib7 n GLY 62 N -0.05 -2.50 3.76 5.19 0.00 0.46 -4.91 105.19 107.14 1ib7 n GLY 62 Ca 0.02 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.90 3.26 0.81 1.61 3.76 -1.24 -5.02 115.29 116.57 1ib7 s HIS 63 Ca 0.12 1.51 -0.12 0.00 -0.15 0.00 0.00 55.06 56.42 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 0.71 -1.35 1.17 -1.54 -0.85 0.00 0.00 174.74 172.88 1ib7 s SER 64 N -0.59 4.51 0.23 1.40 1.04 -1.26 -4.89 113.70 114.14 1ib7 s SER 64 Ca 0.48 0.77 -0.06 0.00 0.48 0.00 0.00 55.95 57.61 1ib7 s SER 64 Cb -0.37 -1.26 0.40 0.00 0.10 0.00 0.00 66.02 64.89 1ib7 s SER 64 CO 0.48 -1.90 1.73 0.74 0.98 0.00 0.00 173.24 175.27 1ib7 h THR 65 N -1.05 0.69 -0.98 2.02 2.02 -2.00 0.98 112.91 114.59 1ib7 h THR 65 Ca -0.46 -0.15 0.34 0.00 0.77 0.00 0.00 66.41 66.91 1ib7 h THR 65 Cb 1.33 0.22 -0.16 0.00 -1.74 0.00 0.00 68.15 67.80 1ib7 h THR 65 CO 0.66 0.08 0.47 -0.78 0.37 0.00 0.00 175.52 176.31 1ib7 h ASP 66 N 0.43 0.29 -0.30 4.18 1.82 -2.01 1.38 116.42 122.21 1ib7 h ASP 66 Ca 0.38 0.22 -0.07 0.00 -0.39 0.00 0.00 57.03 57.17 1ib7 h ASP 66 Cb 0.55 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1ib7 h ASP 66 CO -0.38 -0.26 -0.07 0.00 -1.61 0.00 0.00 179.24 176.92 1ib7 h ALA 67 N 1.90 0.42 -0.96 -0.78 0.00 -1.16 -2.82 119.26 115.86 1ib7 h ALA 67 Ca 0.74 -0.29 0.31 0.00 0.00 0.00 0.00 54.91 55.67 1ib7 h ALA 67 Cb 1.74 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.26 1ib7 h ALA 67 CO -0.69 0.24 0.33 -0.09 0.00 0.00 0.00 179.25 179.04 1ib7 h ARG 68 N 0.36 0.13 0.30 0.00 2.43 0.21 0.88 114.38 118.69 1ib7 h ARG 68 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1ib7 h ARG 68 Cb 0.56 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1ib7 h ARG 68 CO 0.03 0.09 -0.14 0.93 -1.51 0.00 0.00 179.97 179.36 1ib7 h GLU 69 N 0.14 -0.39 0.17 0.20 4.39 -1.23 -2.72 114.58 115.14 1ib7 h GLU 69 Ca 0.67 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.40 1ib7 h GLU 69 Cb 1.53 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1ib7 h GLU 69 CO -0.74 -0.06 -0.20 -0.07 -1.16 0.00 0.00 179.01 176.79 1ib7 h LEU 70 N -0.82 -0.57 -0.70 1.33 4.07 -0.47 0.25 115.31 118.41 1ib7 h LEU 70 Ca -0.04 0.05 0.09 0.00 0.08 0.00 0.00 57.88 58.06 1ib7 h LEU 70 Cb 0.52 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.35 1ib7 h LEU 70 CO 0.07 -0.26 -0.32 -1.54 -1.08 0.00 0.00 178.44 175.31 1ib7 n SER 71 N -3.56 -0.56 0.05 -0.43 3.41 0.28 0.22 113.62 113.02 1ib7 n SER 71 Ca -0.05 1.22 -0.11 0.00 -0.26 0.00 0.00 58.87 59.68 1ib7 n SER 71 Cb 0.18 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1ib7 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ib7 h LYS 72 N 0.00 -0.17 -0.36 4.33 1.57 -1.13 -0.82 116.57 119.99 1ib7 h LYS 72 Ca 0.19 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1ib7 h LYS 72 Cb 0.37 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1ib7 h LYS 72 CO -0.68 -0.11 0.25 1.15 -0.57 0.00 0.00 179.45 179.48 1ib7 h THR 73 N -0.18 0.95 -1.10 -0.16 2.02 0.57 -1.05 112.91 113.95 1ib7 h THR 73 Ca 0.04 -0.09 -0.69 0.00 0.77 0.00 0.00 66.41 66.45 1ib7 h THR 73 Cb 0.23 0.68 -0.29 0.00 -1.74 0.00 0.00 68.15 67.03 1ib7 h THR 73 CO -0.11 0.05 0.89 -1.22 0.37 0.00 0.00 175.52 175.50 1ib7 n TYR 74 N -4.48 3.21 -5.03 3.16 4.02 0.58 -4.93 117.16 113.70 1ib7 n TYR 74 Ca 0.04 -2.96 -0.32 0.00 -0.01 0.00 0.00 57.90 54.65 1ib7 n TYR 74 Cb 0.25 -1.43 -0.14 0.00 -0.02 0.00 0.00 39.34 38.01 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 -4.85 2.72 0.00 -0.72 2.07 -0.40 -1.84 121.20 118.17 1ib7 s ILE 75 Ca 0.64 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1ib7 s ILE 75 Cb 0.50 -2.03 0.00 0.00 0.13 0.00 0.00 42.46 41.06 1ib7 s ILE 75 CO -0.05 0.58 0.00 2.30 -1.91 0.00 0.00 174.94 175.86 1ib7 n ILE 76 N 2.34 0.00 -3.43 2.00 -0.00 -1.26 -4.96 119.36 114.05 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 3.00 -1.26 3.72 3.28 0.00 -1.26 -4.52 105.19 108.16 1ib7 n GLY 77 Ca 0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.87 2.18 0.06 1.61 -1.05 -0.17 -2.15 118.70 118.32 1ib7 s GLU 78 Ca 0.00 -1.89 0.01 0.00 -0.15 0.00 0.00 54.97 52.94 1ib7 s GLU 78 Cb 0.00 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.72 1ib7 s GLU 78 CO 0.00 -0.11 0.14 -0.48 0.95 0.00 0.00 175.26 175.76 1ib7 s LEU 79 N -3.88 4.07 -0.47 1.83 -0.00 -1.26 -0.50 118.68 118.48 1ib7 s LEU 79 Ca 0.40 0.14 -0.42 0.00 -0.00 0.00 0.00 54.13 54.25 1ib7 s LEU 79 Cb 0.05 -2.67 -0.18 0.00 -0.00 0.00 0.00 46.19 43.39 1ib7 s LEU 79 CO 0.22 0.19 1.82 1.57 -0.00 0.00 0.00 176.35 180.15 1ib7 n HIS 80 N 0.49 1.28 1.44 3.48 -0.00 0.59 -4.70 115.22 117.80 1ib7 n HIS 80 Ca -0.08 0.84 0.12 0.00 -0.00 0.00 0.00 57.72 58.60 1ib7 n HIS 80 Cb 0.51 -2.12 0.69 0.00 -0.00 0.00 0.00 29.99 29.08 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 5.87 0.70 0.08 1.57 -0.04 -1.26 -2.64 135.00 139.28 1ib7 n PRO 81 Ca 0.44 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1ib7 n PRO 81 Cb -0.04 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.25 0.41 3.54 1.82 -1.94 -2.84 116.42 117.66 1ib7 h ASP 82 Ca 0.00 -0.21 -0.31 0.00 -0.39 0.00 0.00 57.03 56.12 1ib7 h ASP 82 Cb 0.03 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 39.91 1ib7 h ASP 82 CO 0.00 1.04 -1.80 0.47 -1.61 0.00 0.00 179.24 177.34 1ib7 n ASP 83 N -3.62 0.90 -0.25 2.28 8.00 -1.08 -4.03 116.55 118.75 1ib7 n ASP 83 Ca -0.04 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1ib7 n ASP 83 Cb 0.84 -0.03 0.22 0.00 -0.02 0.00 0.00 41.12 42.13 1ib7 n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ib7 h ARG 84 N 0.01 1.05 -1.99 -1.24 1.12 -1.56 -2.37 114.38 109.38 1ib7 h ARG 84 Ca -0.32 -0.06 -0.77 0.00 -1.11 0.00 0.00 59.98 57.72 1ib7 h ARG 84 Cb 2.04 -0.24 -0.27 0.00 -0.01 0.00 0.00 29.97 31.49 1ib7 h ARG 84 CO 0.07 0.70 1.01 0.43 -3.11 0.00 0.00 179.97 179.07 1ib7 n SER 85 N -4.42 7.44 0.22 -3.80 7.64 -1.07 -4.53 113.62 115.10 1ib7 n SER 85 Ca 0.09 -3.83 0.12 0.00 1.01 0.00 0.00 58.87 56.26 1ib7 n SER 85 Cb 0.04 -1.05 0.23 0.00 -1.01 0.00 0.00 64.21 62.41 1ib7 n SER 85 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ib7 h LYS 86 N 3.03 0.00 -0.01 1.43 3.64 -1.59 -3.23 116.57 119.84 1ib7 h LYS 86 Ca 0.56 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1ib7 h LYS 86 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ib7 h LYS 86 CO 1.41 0.04 -0.01 0.82 -2.27 0.00 0.00 179.45 179.45 1ib7 h ILE 87 N 0.00 1.43 0.00 2.00 1.08 -1.85 -3.52 117.51 116.65 1ib7 h ILE 87 Ca -0.00 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1ib7 h ILE 87 Cb 0.97 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.01 1ib7 h ILE 87 CO 0.01 0.34 0.00 0.00 -0.69 0.00 0.00 178.15 177.80