#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 3.27 -0.33 1.45 -0.14 -1.26 -5.02 119.74 117.71 1ib7 s LYS 5 Ca 0.00 -0.71 -0.12 0.00 -1.36 0.00 0.00 55.97 53.78 1ib7 s LYS 5 Cb 0.00 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.37 1ib7 s LYS 5 CO 0.00 -0.06 0.22 0.71 -0.76 0.00 0.00 175.35 175.45 1ib7 s TYR 6 N 1.05 3.22 -0.10 3.18 2.02 -1.25 -1.70 117.35 123.77 1ib7 s TYR 6 Ca -0.00 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1ib7 s TYR 6 Cb -0.15 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 38.94 1ib7 s TYR 6 CO -0.03 -0.34 -0.00 0.71 -1.57 0.00 0.00 175.55 174.32 1ib7 s TYR 7 N 1.71 3.14 0.71 2.71 2.02 -0.61 -4.71 117.35 122.32 1ib7 s TYR 7 Ca 0.06 0.12 -0.13 0.00 -0.37 0.00 0.00 57.07 56.75 1ib7 s TYR 7 Cb -0.17 -1.82 0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1ib7 s TYR 7 CO 0.10 0.38 1.10 0.95 -1.57 0.00 0.00 175.55 176.51 1ib7 s THR 8 N -0.65 3.26 -0.09 -0.71 -4.23 -1.26 0.24 115.64 112.19 1ib7 s THR 8 Ca 0.10 0.50 0.22 0.00 -1.18 0.00 0.00 61.69 61.33 1ib7 s THR 8 Cb -0.12 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1ib7 s THR 8 CO 0.02 -0.44 1.66 0.17 -0.54 0.00 0.00 174.62 175.48 1ib7 h LEU 9 N -0.52 0.00 -0.48 4.79 -0.00 -1.96 0.47 115.31 117.62 1ib7 h LEU 9 Ca -0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.29 1ib7 h LEU 9 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1ib7 h LEU 9 CO 0.53 0.00 -0.26 -0.33 -0.00 0.00 0.00 178.44 178.37 1ib7 h GLU 10 N 0.00 0.97 0.00 0.17 3.07 -1.98 -3.16 114.58 113.65 1ib7 h GLU 10 Ca 0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1ib7 h GLU 10 Cb 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1ib7 h GLU 10 CO 0.00 1.11 0.00 -1.91 -1.40 0.00 0.00 179.01 176.81 1ib7 n GLU 11 N -4.09 0.00 -0.22 2.33 4.07 0.16 -2.11 120.64 120.77 1ib7 n GLU 11 Ca -0.01 0.46 -0.03 0.00 -0.06 0.00 0.00 57.16 57.52 1ib7 n GLU 11 Cb 0.48 -1.33 -0.02 0.00 -0.06 0.00 0.00 31.44 30.51 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 -1.70 -0.33 -0.30 6.31 -0.00 -1.25 0.20 119.36 122.29 1ib7 n ILE 12 Ca 0.00 1.28 -0.09 0.00 -0.00 0.00 0.00 62.75 63.94 1ib7 n ILE 12 Cb 0.00 -1.63 -0.05 0.00 -0.00 0.00 0.00 39.64 37.96 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 -0.13 -0.74 6.28 1.08 -1.48 0.63 115.11 120.75 1ib7 h GLN 13 Ca 0.13 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.47 1ib7 h GLN 13 Cb 0.27 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.64 1ib7 h GLN 13 CO -0.52 -0.09 0.31 0.87 -0.95 0.00 0.00 178.83 178.46 1ib7 h LYS 14 N -0.13 0.46 -2.94 1.46 1.79 0.28 -2.25 116.57 115.24 1ib7 h LYS 14 Ca 0.19 -0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 58.03 1ib7 h LYS 14 Cb 0.52 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1ib7 h LYS 14 CO -0.82 0.30 3.40 0.72 -1.08 0.00 0.00 179.45 181.98 1ib7 n HIS 15 N -4.97 2.13 -0.65 -1.35 8.25 0.22 -4.20 115.22 114.64 1ib7 n HIS 15 Ca 0.13 -2.87 0.07 0.00 -0.26 0.00 0.00 57.72 54.80 1ib7 n HIS 15 Cb 0.38 -2.36 0.23 0.00 1.12 0.00 0.00 29.99 29.36 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 3.53 3.00 -4.55 -0.41 5.02 -0.85 -2.62 118.16 121.28 1ib7 n LYS 16 Ca 0.73 -2.54 -0.25 0.00 -2.02 0.00 0.00 58.31 54.23 1ib7 n LYS 16 Cb 0.28 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ib7 s ASP 17 N -1.48 3.31 0.18 4.39 2.15 -1.17 -4.97 116.67 119.09 1ib7 s ASP 17 Ca 0.36 -1.34 -0.13 0.00 0.43 0.00 0.00 52.55 51.86 1ib7 s ASP 17 Cb 0.26 -0.28 0.11 0.00 -0.30 0.00 0.00 42.92 42.71 1ib7 s ASP 17 CO 0.13 -0.47 1.82 -1.28 -0.17 0.00 0.00 175.17 175.20 1ib7 h SER 18 N 1.94 0.53 -0.86 -0.34 0.87 -1.96 -1.77 113.55 111.96 1ib7 h SER 18 Ca -0.42 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.36 1ib7 h SER 18 Cb 1.24 -0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 62.95 1ib7 h SER 18 CO 0.75 0.37 0.17 0.11 -0.53 0.00 0.00 176.83 177.70 1ib7 h LYS 19 N 0.65 0.16 -2.80 2.24 1.57 -1.96 -3.32 116.57 113.12 1ib7 h LYS 19 Ca 0.22 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.46 1ib7 h LYS 19 Cb 0.02 -0.04 -0.40 0.00 0.08 0.00 0.00 32.23 31.89 1ib7 h LYS 19 CO -0.09 0.11 -0.78 -1.12 -0.57 0.00 0.00 179.45 176.99 1ib7 s SER 20 N -5.10 3.53 -0.34 0.86 0.01 -0.70 -4.94 113.70 107.01 1ib7 s SER 20 Ca -0.12 -1.28 -0.07 0.00 1.31 0.00 0.00 55.95 55.78 1ib7 s SER 20 Cb 0.25 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.17 1ib7 s SER 20 CO 0.77 -0.44 0.11 -0.89 0.41 0.00 0.00 173.24 173.20 1ib7 s THR 21 N 2.10 3.83 0.26 1.44 2.01 -0.98 -2.93 115.64 121.37 1ib7 s THR 21 Ca 0.09 -1.11 0.10 0.00 0.31 0.00 0.00 61.69 61.08 1ib7 s THR 21 Cb -0.16 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1ib7 s THR 21 CO -0.37 -0.18 -0.07 0.26 -0.69 0.00 0.00 174.62 173.58 1ib7 s TRP 22 N 1.41 2.57 -0.28 4.92 0.52 -1.08 -2.32 118.94 124.68 1ib7 s TRP 22 Ca -0.01 -0.25 -0.10 0.00 0.02 0.00 0.00 56.10 55.75 1ib7 s TRP 22 Cb -0.19 -1.14 0.12 0.00 -1.15 0.00 0.00 33.47 31.11 1ib7 s TRP 22 CO 0.03 0.64 0.61 0.54 0.02 0.00 0.00 176.95 178.80 1ib7 s VAL 23 N -2.34 -0.88 -0.20 4.03 0.11 -1.20 -0.78 120.40 119.14 1ib7 s VAL 23 Ca 0.31 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.09 1ib7 s VAL 23 Cb -0.06 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1ib7 s VAL 23 CO 0.18 0.01 1.62 -0.63 -3.33 0.00 0.00 175.10 172.96 1ib7 s ILE 24 N 2.77 3.68 -0.21 7.04 1.01 -1.23 -0.40 121.20 133.86 1ib7 s ILE 24 Ca -0.06 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.39 1ib7 s ILE 24 Cb -0.12 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.71 1ib7 s ILE 24 CO -0.18 -0.27 -0.13 -0.76 0.00 0.00 0.00 174.94 173.60 1ib7 s LEU 25 N 5.11 2.48 -1.15 2.97 1.02 0.27 -3.28 118.68 126.09 1ib7 s LEU 25 Ca 0.72 -0.92 -0.33 0.00 0.02 0.00 0.00 54.13 53.62 1ib7 s LEU 25 Cb -0.26 -1.36 0.05 0.00 0.02 0.00 0.00 46.19 44.64 1ib7 s LEU 25 CO 0.29 -0.11 0.65 0.00 0.02 0.00 0.00 176.35 177.19 1ib7 n HIS 26 N 4.62 -1.34 -3.71 0.29 1.44 -1.26 0.34 115.22 115.59 1ib7 n HIS 26 Ca -0.16 0.08 -0.23 0.00 -2.01 0.00 0.00 57.72 55.40 1ib7 n HIS 26 Cb 0.47 -2.64 0.03 0.00 0.12 0.00 0.00 29.99 27.96 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 -4.83 -1.90 -3.15 -1.40 1.44 -1.26 -4.96 115.22 99.17 1ib7 n HIS 27 Ca -0.12 0.78 0.05 0.00 -2.01 0.00 0.00 57.72 56.42 1ib7 n HIS 27 Cb 0.54 -4.18 -0.00 0.00 0.12 0.00 0.00 29.99 26.48 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 -5.97 0.30 0.40 -1.40 1.02 0.15 -4.55 119.74 109.68 1ib7 s LYS 28 Ca 0.08 0.31 -0.26 0.00 0.02 0.00 0.00 55.97 56.11 1ib7 s LYS 28 Cb -0.02 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.34 1ib7 s LYS 28 CO 0.82 -0.54 1.36 0.14 -0.92 0.00 0.00 175.35 176.21 1ib7 s VAL 29 N 2.91 2.42 -0.30 3.17 -7.23 -1.02 -0.56 120.40 119.79 1ib7 s VAL 29 Ca 0.20 0.39 0.01 0.00 -1.81 0.00 0.00 61.98 60.77 1ib7 s VAL 29 Cb -0.05 -3.23 0.07 0.00 0.56 0.00 0.00 36.38 33.72 1ib7 s VAL 29 CO -0.23 0.07 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.29 1ib7 s TYR 30 N -1.21 3.37 -1.27 2.82 1.51 0.46 -4.29 117.35 118.75 1ib7 s TYR 30 Ca 0.56 -2.29 -0.19 0.00 -1.01 0.00 0.00 57.07 54.15 1ib7 s TYR 30 Cb -0.41 -2.24 0.02 0.00 -0.11 0.00 0.00 41.96 39.22 1ib7 s TYR 30 CO 0.53 -0.87 1.83 -3.47 -1.11 0.00 0.00 175.55 172.46 1ib7 n ASP 31 N 4.48 4.30 -3.18 2.29 -0.08 -0.74 -3.24 116.55 120.38 1ib7 n ASP 31 Ca -0.10 -2.85 -0.39 0.00 -1.51 0.00 0.00 54.79 49.94 1ib7 n ASP 31 Cb 0.42 -1.72 0.02 0.00 2.34 0.00 0.00 41.12 42.18 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 9.87 7.42 -0.02 -2.67 -0.00 -0.98 -4.62 117.00 126.00 1ib7 n LEU 32 Ca 0.48 -4.98 -0.16 0.00 -0.00 0.00 0.00 56.01 51.35 1ib7 n LEU 32 Cb 0.46 -1.14 -0.10 0.00 -0.00 0.00 0.00 43.42 42.63 1ib7 n LEU 32 CO 0.76 1.88 0.35 0.74 -0.00 0.00 0.00 177.39 181.12 1ib7 h THR 33 N 2.11 1.45 -0.18 1.47 2.02 -1.86 -0.83 112.91 117.09 1ib7 h THR 33 Ca 0.55 -1.92 -0.19 0.00 0.77 0.00 0.00 66.41 65.63 1ib7 h THR 33 Cb 0.20 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1ib7 h THR 33 CO 1.30 0.55 -0.63 0.11 0.37 0.00 0.00 175.52 177.22 1ib7 h LYS 34 N -0.21 0.66 -0.57 6.66 6.56 -1.89 -2.76 116.57 125.01 1ib7 h LYS 34 Ca -0.04 -0.46 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1ib7 h LYS 34 Cb 1.12 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1ib7 h LYS 34 CO 0.08 1.08 0.00 0.98 -2.06 0.00 0.00 179.45 179.54 1ib7 n TYR 35 N -3.94 0.69 -0.03 -1.35 9.36 -1.24 -4.05 117.16 116.60 1ib7 n TYR 35 Ca -0.05 -0.27 -0.13 0.00 3.32 0.00 0.00 57.90 60.77 1ib7 n TYR 35 Cb 0.66 -0.14 -0.09 0.00 -0.63 0.00 0.00 39.34 39.14 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 1.87 0.13 -0.19 2.98 7.12 -0.83 -1.46 115.31 124.93 1ib7 h LEU 36 Ca 0.00 -0.49 0.00 0.00 0.13 0.00 0.00 57.88 57.52 1ib7 h LEU 36 Cb 0.80 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 1ib7 h LEU 36 CO 0.11 0.60 -0.39 -1.84 -0.13 0.00 0.00 178.44 176.79 1ib7 n GLU 37 N -4.75 0.34 0.08 1.25 0.28 -1.26 -3.64 120.64 112.94 1ib7 n GLU 37 Ca -0.08 -0.19 0.02 0.00 -0.16 0.00 0.00 57.16 56.76 1ib7 n GLU 37 Cb 0.29 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.63 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 0.47 0.00 -6.26 3.44 4.22 -1.69 -3.47 114.58 111.29 1ib7 h GLU 38 Ca 0.00 0.00 -0.68 0.00 0.08 0.00 0.00 59.36 58.76 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.78 1ib7 h GLU 38 CO 0.00 0.33 0.75 1.58 -2.18 0.00 0.00 179.01 179.49 1ib7 n HIS 39 N -2.99 1.93 0.13 0.92 -0.00 -0.56 -4.84 115.22 109.82 1ib7 n HIS 39 Ca -0.04 0.45 -0.00 0.00 0.46 0.00 0.00 57.72 58.58 1ib7 n HIS 39 Cb 0.77 -2.46 0.13 0.00 -0.12 0.00 0.00 29.99 28.31 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 6.36 0.00 0.11 1.57 0.13 -1.91 -3.35 132.00 134.92 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 0.88 0.62 -0.05 0.78 -0.23 0.00 0.00 178.00 180.00 1ib7 h GLY 41 N 2.37 -0.15 -5.28 1.56 0.00 -1.99 -3.48 103.07 96.10 1ib7 h GLY 41 Ca -0.01 0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.53 1ib7 h GLY 41 CO 0.08 -0.05 0.73 -0.32 0.00 0.00 0.00 176.54 176.97 1ib7 s GLY 42 N -1.41 0.05 0.00 4.60 0.00 -1.26 -5.01 107.32 104.30 1ib7 s GLY 42 Ca -0.02 2.86 0.28 0.00 0.00 0.00 0.00 44.72 47.84 1ib7 s GLY 42 CO 0.06 1.54 1.75 -1.84 0.00 0.00 0.00 173.10 174.62 1ib7 n GLU 43 N 1.32 0.05 -0.10 2.90 0.28 -1.26 -3.94 120.64 119.89 1ib7 n GLU 43 Ca -0.08 -0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 56.72 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 -1.46 0.54 -0.63 3.44 4.07 -1.26 -3.30 120.64 122.04 1ib7 n GLU 44 Ca 0.07 0.41 0.49 0.00 -0.06 0.00 0.00 57.16 58.07 1ib7 n GLU 44 Cb 0.33 -1.60 0.76 0.00 -0.06 0.00 0.00 31.44 30.87 1ib7 n GLU 44 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1ib7 n VAL 45 N -4.42 0.00 -0.03 6.31 3.14 -1.26 0.22 118.33 122.29 1ib7 n VAL 45 Ca -0.30 1.46 -0.01 0.00 -2.96 0.00 0.00 64.34 62.53 1ib7 n VAL 45 Cb 0.62 -2.45 -0.00 0.00 -1.06 0.00 0.00 33.84 30.95 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 0.14 6.55 3.38 -1.73 -3.34 115.31 120.31 1ib7 h LEU 46 Ca 0.87 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.86 1ib7 h LEU 46 Cb 3.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 44.37 1ib7 h LEU 46 CO -0.01 0.34 -0.31 0.03 0.09 0.00 0.00 178.44 178.58 1ib7 h ARG 47 N -0.58 -0.52 -0.70 1.13 3.08 -0.55 1.40 114.38 117.63 1ib7 h ARG 47 Ca 0.00 0.04 0.28 0.00 0.07 0.00 0.00 59.98 60.36 1ib7 h ARG 47 Cb 0.09 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.13 1ib7 h ARG 47 CO 0.00 -0.35 0.32 -1.91 -1.07 0.00 0.00 179.97 176.96 1ib7 n GLU 48 N -5.41 -0.04 -2.65 0.04 2.13 0.61 0.26 120.64 115.58 1ib7 n GLU 48 Ca -0.07 0.98 -0.10 0.00 0.66 0.00 0.00 57.16 58.64 1ib7 n GLU 48 Cb 0.32 -1.73 0.03 0.00 0.27 0.00 0.00 31.44 30.33 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 -4.65 1.75 0.00 5.31 10.64 -0.59 -4.95 117.38 124.89 1ib7 n GLN 49 Ca 0.25 -3.54 0.00 0.00 -1.83 0.00 0.00 57.00 51.88 1ib7 n GLN 49 Cb 0.84 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 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 -0.30 0.00 -0.69 2.61 0.00 0.47 -3.75 120.51 118.85 1ib7 n ALA 50 Ca 0.14 0.00 0.52 0.00 0.00 0.00 0.00 53.44 54.11 1ib7 n ALA 50 Cb 0.80 0.00 0.81 0.00 0.00 0.00 0.00 19.45 21.07 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 -1.06 -3.34 103.07 98.82 1ib7 h GLY 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ib7 h GLY 51 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.10 1ib7 n GLY 52 N -1.89 -3.48 2.75 4.60 0.00 -1.25 -4.38 105.19 101.54 1ib7 n GLY 52 Ca 0.44 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1ib7 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ib7 s ASP 53 N -1.98 2.84 -0.18 1.61 2.15 -1.25 -3.58 116.67 116.28 1ib7 s ASP 53 Ca 0.00 -0.77 0.17 0.00 0.43 0.00 0.00 52.55 52.37 1ib7 s ASP 53 Cb 0.00 -0.61 0.46 0.00 -0.30 0.00 0.00 42.92 42.47 1ib7 s ASP 53 CO 0.00 -0.29 1.34 0.00 -0.17 0.00 0.00 175.17 176.05 1ib7 n ALA 54 N 5.04 2.93 0.04 3.66 0.00 -1.24 -4.74 120.51 126.20 1ib7 n ALA 54 Ca -0.09 -2.51 -0.14 0.00 0.00 0.00 0.00 53.44 50.70 1ib7 n ALA 54 Cb 0.47 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 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 1.18 0.07 -0.33 0.00 2.02 -1.93 1.29 112.91 115.21 1ib7 h THR 55 Ca 0.02 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 1ib7 h THR 55 Cb 1.33 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1ib7 h THR 55 CO 0.17 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.45 1ib7 h GLU 56 N -0.60 0.78 0.00 6.66 5.08 -1.91 0.15 114.58 124.73 1ib7 h GLU 56 Ca 0.04 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1ib7 h GLU 56 Cb 0.68 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ib7 h GLU 56 CO -0.36 1.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.76 1ib7 n ASN 57 N -4.22 0.26 -0.14 1.42 3.02 -0.91 0.20 115.26 114.89 1ib7 n ASN 57 Ca -0.03 0.59 -0.29 0.00 -0.03 0.00 0.00 54.58 54.83 1ib7 n ASN 57 Cb 0.48 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 1ib7 n ASN 57 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ib7 n PHE 58 N -1.82 0.09 0.13 3.10 7.35 0.44 -4.17 117.46 122.58 1ib7 n PHE 58 Ca 0.01 0.04 -0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1ib7 n PHE 58 Cb 0.09 -1.01 0.11 0.00 0.35 0.00 0.00 39.48 39.02 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 -0.93 0.00 -0.41 -4.13 4.11 -0.42 -3.18 114.58 109.62 1ib7 h GLU 59 Ca -0.67 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.77 1ib7 h GLU 59 Cb 1.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1ib7 h GLU 59 CO -0.39 0.63 0.25 0.22 0.07 0.00 0.00 179.01 179.80 1ib7 h ASP 60 N 0.00 0.42 0.55 3.06 3.58 0.20 0.10 116.42 124.33 1ib7 h ASP 60 Ca -0.01 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ib7 h ASP 60 Cb 1.28 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1ib7 h ASP 60 CO 0.08 0.30 0.00 -0.37 -2.88 0.00 0.00 179.24 176.38 1ib7 h VAL 61 N 0.51 0.00 -4.49 2.25 -1.51 -1.71 -3.47 116.25 107.82 1ib7 h VAL 61 Ca 0.16 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1ib7 h VAL 61 Cb -0.02 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1ib7 h VAL 61 CO -0.06 0.00 -0.48 0.61 -1.23 0.00 0.00 177.57 176.41 1ib7 n GLY 62 N -0.46 -2.32 3.76 5.19 0.00 0.35 -4.96 105.19 106.76 1ib7 n GLY 62 Ca -0.00 0.56 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.65 3.47 0.72 1.61 3.76 -1.25 -5.03 115.29 116.91 1ib7 s HIS 63 Ca 0.09 1.64 -0.07 0.00 -0.15 0.00 0.00 55.06 56.57 1ib7 s HIS 63 Cb -0.03 -3.36 0.06 0.00 1.11 0.00 0.00 32.58 30.36 1ib7 s HIS 63 CO 0.52 -0.81 1.04 -1.12 -0.85 0.00 0.00 174.74 173.52 1ib7 s SER 64 N -0.81 4.80 0.25 1.40 0.01 -1.26 -4.89 113.70 113.20 1ib7 s SER 64 Ca 0.46 0.52 -0.04 0.00 1.31 0.00 0.00 55.95 58.20 1ib7 s SER 64 Cb -0.33 -1.16 0.49 0.00 0.21 0.00 0.00 66.02 65.22 1ib7 s SER 64 CO 0.43 -1.62 1.69 0.74 0.41 0.00 0.00 173.24 174.89 1ib7 h THR 65 N -0.66 0.53 -1.16 1.44 2.02 -1.99 0.35 112.91 113.44 1ib7 h THR 65 Ca -0.45 -0.11 0.41 0.00 0.77 0.00 0.00 66.41 67.03 1ib7 h THR 65 Cb 1.32 0.19 -0.15 0.00 -1.74 0.00 0.00 68.15 67.77 1ib7 h THR 65 CO 0.61 0.06 0.70 -0.78 0.37 0.00 0.00 175.52 176.48 1ib7 h ASP 66 N 0.31 0.32 -0.08 4.18 1.82 -2.01 1.44 116.42 122.41 1ib7 h ASP 66 Ca 0.43 0.18 -0.09 0.00 -0.39 0.00 0.00 57.03 57.16 1ib7 h ASP 66 Cb 0.73 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1ib7 h ASP 66 CO -0.49 -0.25 -0.32 0.00 -1.61 0.00 0.00 179.24 176.57 1ib7 h ALA 67 N 1.76 0.14 -0.67 -0.78 0.00 -0.67 -2.96 119.26 116.08 1ib7 h ALA 67 Ca 0.81 -0.44 0.20 0.00 0.00 0.00 0.00 54.91 55.48 1ib7 h ALA 67 Cb 2.30 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.05 1ib7 h ALA 67 CO -0.56 0.19 0.73 0.00 0.00 0.00 0.00 179.25 179.61 1ib7 h ARG 68 N -0.13 0.00 0.02 0.00 3.08 0.23 0.67 114.38 118.25 1ib7 h ARG 68 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ib7 h ARG 68 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1ib7 h ARG 68 CO 0.07 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 179.89 1ib7 h GLU 69 N 0.00 -0.03 0.57 0.04 4.39 -1.09 -3.20 114.58 115.26 1ib7 h GLU 69 Ca 0.32 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1ib7 h GLU 69 Cb 1.77 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.43 1ib7 h GLU 69 CO -0.00 0.63 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.14 1ib7 h LEU 70 N -0.95 -0.65 -0.60 1.33 4.07 -0.61 -1.34 115.31 116.56 1ib7 h LEU 70 Ca -0.00 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.07 1ib7 h LEU 70 Cb 0.68 0.17 -0.10 0.00 1.08 0.00 0.00 40.66 42.49 1ib7 h LEU 70 CO 0.01 -0.38 -0.24 -1.20 -1.08 0.00 0.00 178.44 175.54 1ib7 n SER 71 N -4.52 -0.41 0.23 -0.43 7.64 0.20 0.22 113.62 116.56 1ib7 n SER 71 Ca -0.10 1.05 -0.15 0.00 1.01 0.00 0.00 58.87 60.68 1ib7 n SER 71 Cb 0.30 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.52 -0.35 1.43 3.64 -1.54 -1.64 116.57 117.59 1ib7 h LYS 72 Ca 0.20 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1ib7 h LYS 72 Cb 0.35 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ib7 h LYS 72 CO -0.60 -0.34 0.26 1.15 -2.27 0.00 0.00 179.45 177.65 1ib7 h THR 73 N -0.54 0.78 -1.00 1.00 2.02 0.36 0.56 112.91 116.10 1ib7 h THR 73 Ca -0.05 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.49 1ib7 h THR 73 Cb 0.41 0.82 -0.30 0.00 -1.74 0.00 0.00 68.15 67.34 1ib7 h THR 73 CO 0.09 0.00 0.81 -1.22 0.37 0.00 0.00 175.52 175.57 1ib7 n TYR 74 N -4.37 3.19 -4.75 3.16 4.02 0.60 -4.93 117.16 114.08 1ib7 n TYR 74 Ca 0.06 -2.70 -0.33 0.00 -0.01 0.00 0.00 57.90 54.91 1ib7 n TYR 74 Cb 0.44 -1.31 -0.12 0.00 -0.02 0.00 0.00 39.34 38.33 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 -4.40 3.33 0.00 -0.72 2.07 0.19 -1.80 121.20 119.87 1ib7 s ILE 75 Ca 0.63 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1ib7 s ILE 75 Cb 0.50 -2.34 0.00 0.00 0.13 0.00 0.00 42.46 40.75 1ib7 s ILE 75 CO 0.02 0.57 0.00 2.30 -1.91 0.00 0.00 174.94 175.92 1ib7 n ILE 76 N 2.18 0.00 -2.31 2.00 -0.00 -1.26 -4.97 119.36 115.00 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 -0.46 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 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 2.99 -0.62 3.37 3.28 0.00 -1.26 -4.38 105.19 108.57 1ib7 n GLY 77 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.02 1.41 0.26 1.61 -1.05 -0.69 -2.43 118.70 117.79 1ib7 s GLU 78 Ca 0.00 -1.64 -0.23 0.00 -0.15 0.00 0.00 54.97 52.96 1ib7 s GLU 78 Cb 0.00 -1.24 -0.09 0.00 -0.44 0.00 0.00 34.13 32.36 1ib7 s GLU 78 CO 0.00 0.20 0.82 -0.48 0.95 0.00 0.00 175.26 176.75 1ib7 s LEU 79 N -3.36 4.35 -0.43 1.83 -0.00 -1.26 -1.58 118.68 118.23 1ib7 s LEU 79 Ca 0.24 1.61 -0.40 0.00 -0.00 0.00 0.00 54.13 55.58 1ib7 s LEU 79 Cb -0.01 -3.75 -0.17 0.00 -0.00 0.00 0.00 46.19 42.25 1ib7 s LEU 79 CO 0.09 -0.00 1.50 1.57 -0.00 0.00 0.00 176.35 179.50 1ib7 n HIS 80 N 0.70 1.41 0.59 3.48 -0.00 0.66 -4.73 115.22 117.34 1ib7 n HIS 80 Ca -0.01 0.93 0.12 0.00 -0.00 0.00 0.00 57.72 58.76 1ib7 n HIS 80 Cb 0.50 -1.95 0.46 0.00 -0.00 0.00 0.00 29.99 29.00 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 4.15 0.15 0.09 1.57 -0.04 -1.26 -1.46 135.00 138.21 1ib7 n PRO 81 Ca 0.32 0.25 -0.03 0.00 -0.04 0.00 0.00 63.50 64.00 1ib7 n PRO 81 Cb -0.05 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.00 0.40 3.54 3.58 -1.96 -3.18 116.42 118.80 1ib7 h ASP 82 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1ib7 h ASP 82 Cb 0.50 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 1ib7 h ASP 82 CO 0.00 0.78 -1.83 -0.90 -2.88 0.00 0.00 179.24 174.42 1ib7 n ASP 83 N -3.29 0.81 0.28 2.28 5.68 -1.03 -3.92 116.55 117.37 1ib7 n ASP 83 Ca 0.01 0.34 0.13 0.00 -0.50 0.00 0.00 54.79 54.77 1ib7 n ASP 83 Cb 0.85 0.05 0.82 0.00 -1.14 0.00 0.00 41.12 41.70 1ib7 n ASP 83 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ib7 h ARG 84 N 0.00 0.00 -1.28 0.11 1.12 -1.30 -1.31 114.38 111.72 1ib7 h ARG 84 Ca -0.33 0.00 -0.69 0.00 -1.11 0.00 0.00 59.98 57.85 1ib7 h ARG 84 Cb 2.05 0.00 -0.31 0.00 -0.01 0.00 0.00 29.97 31.70 1ib7 h ARG 84 CO 0.07 0.00 0.65 0.43 -3.11 0.00 0.00 179.97 178.02 1ib7 n SER 85 N -4.08 7.19 -2.28 -3.80 7.64 -1.20 -4.61 113.62 112.48 1ib7 n SER 85 Ca -0.03 -3.80 -0.31 0.00 1.01 0.00 0.00 58.87 55.75 1ib7 n SER 85 Cb 0.09 -0.90 0.12 0.00 -1.01 0.00 0.00 64.21 62.50 1ib7 n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ib7 n LYS 86 N -0.76 2.51 -0.12 1.43 3.00 -0.50 -4.35 118.16 119.37 1ib7 n LYS 86 Ca 0.57 -3.14 -0.22 0.00 -0.00 0.00 0.00 58.31 55.52 1ib7 n LYS 86 Cb 0.57 -2.23 -0.08 0.00 0.00 0.00 0.00 35.03 33.29 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ib7 n ILE 87 N -0.97 1.52 0.88 3.15 -0.00 -1.26 -5.14 119.36 117.53 1ib7 n ILE 87 Ca 0.61 -0.15 0.07 0.00 -0.00 0.00 0.00 62.75 63.28 1ib7 n ILE 87 Cb 1.03 -2.05 0.42 0.00 -0.00 0.00 0.00 39.64 39.04 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55