#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 3.45 -0.42 1.45 -0.14 -1.26 -5.01 119.74 117.81 1ib7 s LYS 5 Ca 0.00 -0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 53.87 1ib7 s LYS 5 Cb 0.00 -3.08 0.03 0.00 -1.68 0.00 0.00 37.83 33.10 1ib7 s LYS 5 CO 0.00 -0.18 0.34 0.71 -0.76 0.00 0.00 175.35 175.46 1ib7 s TYR 6 N 1.46 3.23 0.19 3.18 2.02 -1.25 -0.77 117.35 125.42 1ib7 s TYR 6 Ca 0.05 -0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 1ib7 s TYR 6 Cb -0.14 -2.75 -0.06 0.00 -0.40 0.00 0.00 41.96 38.61 1ib7 s TYR 6 CO -0.01 -0.65 0.44 0.71 -1.57 0.00 0.00 175.55 174.47 1ib7 s TYR 7 N 1.75 3.47 0.34 2.71 2.02 0.54 -4.66 117.35 123.52 1ib7 s TYR 7 Ca 0.06 0.60 -0.24 0.00 -0.37 0.00 0.00 57.07 57.12 1ib7 s TYR 7 Cb -0.20 -2.05 -0.10 0.00 -0.40 0.00 0.00 41.96 39.21 1ib7 s TYR 7 CO 0.10 0.35 0.92 0.95 -1.57 0.00 0.00 175.55 176.30 1ib7 s THR 8 N -1.79 4.30 0.65 -0.71 -4.23 -1.26 0.20 115.64 112.80 1ib7 s THR 8 Ca 0.42 1.67 0.28 0.00 -1.18 0.00 0.00 61.69 62.89 1ib7 s THR 8 Cb -0.12 -3.89 0.29 0.00 1.34 0.00 0.00 72.50 70.13 1ib7 s THR 8 CO 0.25 0.03 1.86 0.17 -0.54 0.00 0.00 174.62 176.39 1ib7 h LEU 9 N 2.87 0.00 -1.23 4.79 -0.00 -1.96 0.69 115.31 120.47 1ib7 h LEU 9 Ca -0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.35 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 0.64 0.00 -0.06 -0.08 -0.00 0.00 0.00 178.44 178.94 1ib7 h GLU 10 N 0.00 0.45 0.00 0.17 4.57 -2.00 -2.94 114.58 114.83 1ib7 h GLU 10 Ca 0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ib7 h GLU 10 Cb 0.84 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1ib7 h GLU 10 CO -0.00 0.53 0.00 0.39 -1.18 0.00 0.00 179.01 178.75 1ib7 n GLU 11 N -4.26 0.00 -0.21 1.92 4.71 0.24 -1.37 120.64 121.67 1ib7 n GLU 11 Ca 0.01 0.14 0.17 0.00 -0.01 0.00 0.00 57.16 57.46 1ib7 n GLU 11 Cb 0.27 -1.13 0.31 0.00 -1.01 0.00 0.00 31.44 29.88 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 -0.90 -0.27 0.37 -3.67 -0.00 -1.24 0.18 119.36 113.83 1ib7 n ILE 12 Ca 0.00 1.35 -0.19 0.00 -0.00 0.00 0.00 62.75 63.91 1ib7 n ILE 12 Cb 0.00 -2.11 -0.10 0.00 -0.00 0.00 0.00 39.64 37.43 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 -1.08 0.00 6.28 1.08 -1.32 -0.36 115.11 119.71 1ib7 h GLN 13 Ca 0.49 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.77 1ib7 h GLN 13 Cb 1.22 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1ib7 h GLN 13 CO -0.54 -0.72 0.00 0.36 -0.95 0.00 0.00 178.83 176.98 1ib7 n LYS 14 N -5.54 0.03 -1.92 1.46 2.85 0.49 -2.31 118.16 113.22 1ib7 n LYS 14 Ca -0.14 0.37 -0.36 0.00 -1.05 0.00 0.00 58.31 57.13 1ib7 n LYS 14 Cb 0.48 -1.57 0.04 0.00 -0.65 0.00 0.00 35.03 33.33 1ib7 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ib7 n HIS 15 N -1.63 3.09 -0.75 5.58 8.25 0.18 -4.45 115.22 125.48 1ib7 n HIS 15 Ca 0.02 -2.57 0.08 0.00 -0.26 0.00 0.00 57.72 54.99 1ib7 n HIS 15 Cb 0.12 -1.01 0.24 0.00 1.12 0.00 0.00 29.99 30.45 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 -0.60 3.02 -4.21 -0.41 4.81 -0.98 -1.96 118.16 117.83 1ib7 n LYS 16 Ca 0.53 -2.64 -0.25 0.00 -0.87 0.00 0.00 58.31 55.08 1ib7 n LYS 16 Cb 0.41 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.67 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 -1.59 4.34 0.16 3.14 1.01 -1.23 -4.92 116.67 117.59 1ib7 s ASP 17 Ca 0.38 -1.08 -0.14 0.00 0.71 0.00 0.00 52.55 52.42 1ib7 s ASP 17 Cb 0.28 -0.50 0.05 0.00 1.01 0.00 0.00 42.92 43.76 1ib7 s ASP 17 CO 0.12 -0.47 1.79 -1.28 0.21 0.00 0.00 175.17 175.54 1ib7 h SER 18 N 1.53 0.61 -0.85 0.27 0.87 -1.98 -2.30 113.55 111.71 1ib7 h SER 18 Ca -0.43 -0.07 0.18 0.00 -1.23 0.00 0.00 61.79 60.24 1ib7 h SER 18 Cb 1.25 -0.15 -0.16 0.00 -0.44 0.00 0.00 62.40 62.90 1ib7 h SER 18 CO 0.70 0.50 -0.17 0.11 -0.53 0.00 0.00 176.83 177.44 1ib7 h LYS 19 N 0.67 0.01 -2.74 2.24 1.57 -1.96 -3.30 116.57 113.06 1ib7 h LYS 19 Ca 0.18 -0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.41 1ib7 h LYS 19 Cb 0.01 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.92 1ib7 h LYS 19 CO -0.03 0.01 -0.80 -1.12 -0.57 0.00 0.00 179.45 176.93 1ib7 s SER 20 N -5.23 3.36 -0.38 0.86 0.01 -0.96 -4.94 113.70 106.43 1ib7 s SER 20 Ca -0.14 -1.61 -0.14 0.00 1.31 0.00 0.00 55.95 55.37 1ib7 s SER 20 Cb 0.24 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1ib7 s SER 20 CO 0.76 -0.39 0.28 -0.89 0.41 0.00 0.00 173.24 173.41 1ib7 s THR 21 N 1.73 5.26 0.24 1.44 2.01 -0.91 -3.44 115.64 121.98 1ib7 s THR 21 Ca 0.12 -0.42 0.11 0.00 0.31 0.00 0.00 61.69 61.81 1ib7 s THR 21 Cb -0.18 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1ib7 s THR 21 CO -0.24 -0.17 -0.14 0.26 -0.69 0.00 0.00 174.62 173.64 1ib7 s TRP 22 N 1.73 2.45 -0.25 4.92 0.52 -0.83 -2.45 118.94 125.02 1ib7 s TRP 22 Ca 0.06 -0.29 -0.10 0.00 0.02 0.00 0.00 56.10 55.79 1ib7 s TRP 22 Cb -0.18 -1.12 0.10 0.00 -1.15 0.00 0.00 33.47 31.12 1ib7 s TRP 22 CO 0.10 0.62 0.56 0.54 0.02 0.00 0.00 176.95 178.80 1ib7 s VAL 23 N -2.17 -0.59 -0.28 4.03 0.11 -1.23 -1.00 120.40 119.27 1ib7 s VAL 23 Ca 0.28 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 1ib7 s VAL 23 Cb -0.07 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1ib7 s VAL 23 CO 0.15 0.02 1.68 -0.63 -3.33 0.00 0.00 175.10 173.00 1ib7 s ILE 24 N 2.40 3.61 -0.06 7.04 1.01 -1.22 -0.81 121.20 133.16 1ib7 s ILE 24 Ca -0.06 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.29 1ib7 s ILE 24 Cb -0.10 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1ib7 s ILE 24 CO -0.17 -0.38 -0.20 -0.76 0.00 0.00 0.00 174.94 173.43 1ib7 s LEU 25 N 5.94 1.95 -1.54 2.97 1.02 0.57 -3.39 118.68 126.20 1ib7 s LEU 25 Ca 0.74 -0.43 -0.19 0.00 0.02 0.00 0.00 54.13 54.28 1ib7 s LEU 25 Cb -0.23 -1.15 0.19 0.00 0.02 0.00 0.00 46.19 45.02 1ib7 s LEU 25 CO 0.32 0.16 0.46 0.00 0.02 0.00 0.00 176.35 177.31 1ib7 n HIS 26 N 3.29 -0.96 -2.78 0.29 1.44 -1.26 0.23 115.22 115.47 1ib7 n HIS 26 Ca -0.19 0.56 -0.10 0.00 -2.01 0.00 0.00 57.72 55.99 1ib7 n HIS 26 Cb 0.53 -1.58 0.05 0.00 0.12 0.00 0.00 29.99 29.11 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 -3.46 -1.30 -3.56 -1.40 8.25 -1.26 -5.04 115.22 107.45 1ib7 n HIS 27 Ca 0.08 0.54 -0.01 0.00 -0.26 0.00 0.00 57.72 58.07 1ib7 n HIS 27 Cb 0.38 -3.74 -0.06 0.00 1.12 0.00 0.00 29.99 27.69 1ib7 n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ib7 s LYS 28 N -4.63 0.33 0.33 -0.41 -2.85 0.62 -4.58 119.74 108.54 1ib7 s LYS 28 Ca 0.04 0.64 -0.28 0.00 -1.00 0.00 0.00 55.97 55.38 1ib7 s LYS 28 Cb -0.01 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.87 1ib7 s LYS 28 CO 0.43 -0.08 1.11 0.14 0.10 0.00 0.00 175.35 177.05 1ib7 s VAL 29 N 1.71 3.43 -0.32 1.79 -7.23 -0.98 0.21 120.40 119.01 1ib7 s VAL 29 Ca -0.07 1.32 0.01 0.00 -1.81 0.00 0.00 61.98 61.44 1ib7 s VAL 29 Cb -0.04 -3.80 0.08 0.00 0.56 0.00 0.00 36.38 33.18 1ib7 s VAL 29 CO -0.15 0.23 0.02 -0.31 -0.31 0.00 0.00 175.10 174.57 1ib7 s TYR 30 N -1.31 3.49 -1.18 2.82 1.51 0.01 -4.29 117.35 118.41 1ib7 s TYR 30 Ca 0.50 -2.48 -0.20 0.00 -1.01 0.00 0.00 57.07 53.87 1ib7 s TYR 30 Cb -0.30 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 1ib7 s TYR 30 CO 0.39 -0.90 1.91 -3.47 -1.11 0.00 0.00 175.55 172.36 1ib7 n ASP 31 N 4.44 3.64 -2.06 2.29 -0.08 -0.79 -3.48 116.55 120.50 1ib7 n ASP 31 Ca -0.06 -2.78 -0.24 0.00 -1.51 0.00 0.00 54.79 50.21 1ib7 n ASP 31 Cb 0.42 -1.63 0.07 0.00 2.34 0.00 0.00 41.12 42.33 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 10.43 6.78 0.17 -2.67 -0.00 -1.03 -4.55 117.00 126.13 1ib7 n LEU 32 Ca 0.48 -3.61 -0.14 0.00 -0.00 0.00 0.00 56.01 52.73 1ib7 n LEU 32 Cb 0.44 -0.96 -0.07 0.00 -0.00 0.00 0.00 43.42 42.83 1ib7 n LEU 32 CO 0.79 1.25 0.76 0.74 -0.00 0.00 0.00 177.39 180.93 1ib7 h THR 33 N 0.94 0.65 -0.47 1.47 2.02 -1.84 1.49 112.91 117.16 1ib7 h THR 33 Ca 0.45 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.52 1ib7 h THR 33 Cb 1.20 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1ib7 h THR 33 CO 1.09 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 176.95 1ib7 h LYS 34 N -0.42 0.89 -0.67 6.66 6.56 -1.90 -2.14 116.57 125.56 1ib7 h LYS 34 Ca -0.02 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1ib7 h LYS 34 Cb 0.35 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1ib7 h LYS 34 CO 0.02 0.97 0.00 0.98 -2.06 0.00 0.00 179.45 179.36 1ib7 n TYR 35 N -4.14 0.89 -0.04 -1.35 9.36 -1.01 -4.07 117.16 116.81 1ib7 n TYR 35 Ca 0.01 -0.33 -0.14 0.00 3.32 0.00 0.00 57.90 60.76 1ib7 n TYR 35 Cb 0.40 -0.22 -0.09 0.00 -0.63 0.00 0.00 39.34 38.80 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 2.06 0.32 -0.02 2.98 7.12 0.28 -2.33 115.31 125.73 1ib7 h LEU 36 Ca 0.00 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 57.40 1ib7 h LEU 36 Cb 1.03 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 1ib7 h LEU 36 CO 0.18 0.88 -0.48 -1.84 -0.13 0.00 0.00 178.44 177.05 1ib7 n GLU 37 N -4.52 0.03 0.15 1.25 0.00 -1.26 -3.61 120.64 112.68 1ib7 n GLU 37 Ca -0.08 -0.02 0.09 0.00 0.00 0.00 0.00 57.16 57.16 1ib7 n GLU 37 Cb 0.44 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.45 1ib7 n GLU 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1ib7 h GLU 38 N 0.04 0.00 -6.25 3.44 4.57 -1.70 -3.46 114.58 111.21 1ib7 h GLU 38 Ca 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.50 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 0.11 0.76 1.58 -1.18 0.00 0.00 179.01 180.28 1ib7 n HIS 39 N -2.97 1.93 0.10 0.92 -0.00 -0.88 -4.84 115.22 109.49 1ib7 n HIS 39 Ca 0.01 0.46 -0.04 0.00 0.46 0.00 0.00 57.72 58.61 1ib7 n HIS 39 Cb 0.60 -2.45 0.06 0.00 -0.12 0.00 0.00 29.99 28.07 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 6.42 0.05 0.27 1.57 0.13 -1.91 -3.35 132.00 135.18 1ib7 h PRO 40 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1ib7 h PRO 40 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ib7 h PRO 40 CO 0.89 0.79 -0.13 0.78 -0.23 0.00 0.00 178.00 180.09 1ib7 h GLY 41 N 2.15 -0.38 -4.92 1.56 0.00 -1.99 -3.48 103.07 96.00 1ib7 h GLY 41 Ca -0.01 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.62 1ib7 h GLY 41 CO 0.10 -0.14 0.74 -0.32 0.00 0.00 0.00 176.54 176.93 1ib7 s GLY 42 N -1.80 -0.03 0.04 4.60 0.00 -1.26 -5.02 107.32 103.85 1ib7 s GLY 42 Ca -0.05 2.60 0.26 0.00 0.00 0.00 0.00 44.72 47.53 1ib7 s GLY 42 CO 0.16 1.25 1.55 -1.84 0.00 0.00 0.00 173.10 174.22 1ib7 n GLU 43 N 0.89 0.08 -0.10 2.90 0.28 -1.26 -4.05 120.64 119.37 1ib7 n GLU 43 Ca -0.06 0.03 -0.19 0.00 -0.16 0.00 0.00 57.16 56.78 1ib7 n GLU 43 Cb 0.58 -1.56 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.68 0.54 -0.61 3.44 2.13 -1.26 -3.27 120.64 119.93 1ib7 n GLU 44 Ca 0.05 0.45 0.49 0.00 0.66 0.00 0.00 57.16 58.81 1ib7 n GLU 44 Cb 0.36 -1.64 0.75 0.00 0.27 0.00 0.00 31.44 31.18 1ib7 n GLU 44 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1ib7 n VAL 45 N -4.43 0.00 -0.05 6.31 3.14 -1.26 0.22 118.33 122.27 1ib7 n VAL 45 Ca -0.31 1.45 -0.01 0.00 -2.96 0.00 0.00 64.34 62.51 1ib7 n VAL 45 Cb 0.63 -2.45 -0.00 0.00 -1.06 0.00 0.00 33.84 30.96 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 0.23 6.55 3.38 -1.72 -3.33 115.31 120.42 1ib7 h LEU 46 Ca 0.85 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.83 1ib7 h LEU 46 Cb 3.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 44.36 1ib7 h LEU 46 CO -0.01 0.49 -0.27 0.03 0.09 0.00 0.00 178.44 178.77 1ib7 h ARG 47 N -0.85 -0.52 -0.72 1.13 3.08 -0.23 1.39 114.38 117.65 1ib7 h ARG 47 Ca 0.00 0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.31 1ib7 h ARG 47 Cb 0.13 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.16 1ib7 h ARG 47 CO 0.00 -0.35 0.09 -1.91 -1.07 0.00 0.00 179.97 176.73 1ib7 n GLU 48 N -5.39 -0.05 -2.56 0.04 4.07 0.61 0.06 120.64 117.41 1ib7 n GLU 48 Ca -0.08 1.07 -0.14 0.00 -0.06 0.00 0.00 57.16 57.94 1ib7 n GLU 48 Cb 0.29 -1.74 0.02 0.00 -0.06 0.00 0.00 31.44 29.96 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 -4.92 2.21 0.00 5.31 10.64 -0.82 -4.94 117.38 124.86 1ib7 n GLN 49 Ca 0.19 -3.77 0.00 0.00 -1.83 0.00 0.00 57.00 51.59 1ib7 n GLN 49 Cb 0.64 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 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 -0.36 0.00 -0.56 2.61 0.00 0.47 -3.76 120.51 118.92 1ib7 n ALA 50 Ca 0.22 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.11 1ib7 n ALA 50 Cb 0.79 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.99 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 0.49 0.00 0.00 0.00 -1.10 -3.32 103.07 99.13 1ib7 h GLY 51 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ib7 h GLY 51 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.00 1ib7 n GLY 52 N -1.75 -3.46 2.88 4.60 0.00 -1.25 -4.49 105.19 101.71 1ib7 n GLY 52 Ca 0.39 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.02 3.38 -0.24 1.61 2.15 -1.26 -3.44 116.67 116.85 1ib7 s ASP 53 Ca 0.00 -0.97 0.12 0.00 0.43 0.00 0.00 52.55 52.14 1ib7 s ASP 53 Cb 0.00 -0.97 0.50 0.00 -0.30 0.00 0.00 42.92 42.15 1ib7 s ASP 53 CO 0.00 -0.24 1.43 0.00 -0.17 0.00 0.00 175.17 176.19 1ib7 n ALA 54 N 4.81 3.71 0.02 3.66 0.00 -1.24 -4.78 120.51 126.71 1ib7 n ALA 54 Ca -0.11 -2.83 -0.02 0.00 0.00 0.00 0.00 53.44 50.48 1ib7 n ALA 54 Cb 0.46 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 1.19 0.00 -0.83 0.00 2.02 -1.93 0.77 112.91 114.13 1ib7 h THR 55 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1ib7 h THR 55 Cb 1.54 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1ib7 h THR 55 CO 0.30 0.00 0.46 -0.33 0.37 0.00 0.00 175.52 176.33 1ib7 h GLU 56 N -0.10 1.14 0.00 6.66 4.39 -1.92 0.37 114.58 125.13 1ib7 h GLU 56 Ca -0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1ib7 h GLU 56 Cb 0.09 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1ib7 h GLU 56 CO -0.02 0.83 0.00 -0.91 -1.16 0.00 0.00 179.01 177.75 1ib7 h ASN 57 N 1.15 0.00 0.05 1.42 4.21 -1.80 1.95 115.58 122.56 1ib7 h ASN 57 Ca 0.29 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.42 1ib7 h ASN 57 Cb 0.01 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.16 1ib7 h ASN 57 CO -0.05 0.00 -2.29 0.33 -1.29 0.00 0.00 177.43 174.13 1ib7 n PHE 58 N -2.98 0.51 0.09 1.19 -0.00 0.26 -3.92 117.46 112.61 1ib7 n PHE 58 Ca -0.02 0.11 -0.13 0.00 -0.00 0.00 0.00 57.45 57.40 1ib7 n PHE 58 Cb 0.12 -1.07 -0.09 0.00 -0.00 0.00 0.00 39.48 38.45 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 0.03 0.28 -0.69 -4.13 5.08 0.20 -3.07 114.58 112.28 1ib7 h GLU 59 Ca -0.52 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 57.47 1ib7 h GLU 59 Cb 1.95 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.30 1ib7 h GLU 59 CO -0.02 1.13 0.44 0.22 -1.00 0.00 0.00 179.01 179.78 1ib7 h ASP 60 N 0.12 0.74 0.79 1.42 3.58 0.29 0.19 116.42 123.54 1ib7 h ASP 60 Ca -0.10 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ib7 h ASP 60 Cb 1.77 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1ib7 h ASP 60 CO 0.18 0.52 0.00 -0.37 -2.88 0.00 0.00 179.24 176.69 1ib7 h VAL 61 N 0.88 0.00 -5.33 2.25 -1.51 -1.67 -3.48 116.25 107.39 1ib7 h VAL 61 Ca 0.27 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1ib7 h VAL 61 Cb -0.03 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1ib7 h VAL 61 CO -0.09 0.00 -0.80 0.61 -1.23 0.00 0.00 177.57 176.06 1ib7 n GLY 62 N -0.03 -2.62 3.76 5.19 0.00 0.65 -4.92 105.19 107.23 1ib7 n GLY 62 Ca 0.02 0.82 -0.41 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 -2.01 3.27 0.81 1.61 3.76 -1.24 -5.02 115.29 116.47 1ib7 s HIS 63 Ca 0.12 1.53 -0.12 0.00 -0.15 0.00 0.00 55.06 56.45 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 -1.32 1.18 -1.12 -0.85 0.00 0.00 174.74 173.38 1ib7 s SER 64 N -0.65 4.49 0.22 1.40 0.01 -1.26 -4.89 113.70 113.03 1ib7 s SER 64 Ca 0.47 0.77 -0.07 0.00 1.31 0.00 0.00 55.95 58.43 1ib7 s SER 64 Cb -0.37 -1.26 0.36 0.00 0.21 0.00 0.00 66.02 64.97 1ib7 s SER 64 CO 0.48 -1.91 1.72 0.74 0.41 0.00 0.00 173.24 174.68 1ib7 h THR 65 N -1.06 0.66 -0.99 1.44 2.02 -2.00 0.99 112.91 113.98 1ib7 h THR 65 Ca -0.46 -0.12 0.36 0.00 0.77 0.00 0.00 66.41 66.96 1ib7 h THR 65 Cb 1.33 0.28 -0.17 0.00 -1.74 0.00 0.00 68.15 67.85 1ib7 h THR 65 CO 0.66 0.06 0.46 0.44 0.37 0.00 0.00 175.52 177.51 1ib7 h ASP 66 N 0.35 0.25 -0.22 4.18 3.32 -2.01 1.46 116.42 123.74 1ib7 h ASP 66 Ca 0.36 0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.59 1ib7 h ASP 66 Cb 0.52 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1ib7 h ASP 66 CO -0.39 -0.32 -0.07 0.00 -1.72 0.00 0.00 179.24 176.74 1ib7 h ALA 67 N 1.94 0.31 -0.97 3.45 0.00 -1.16 -2.87 119.26 119.95 1ib7 h ALA 67 Ca 0.76 -0.27 0.28 0.00 0.00 0.00 0.00 54.91 55.68 1ib7 h ALA 67 Cb 1.86 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.39 1ib7 h ALA 67 CO -0.73 0.11 0.09 -0.09 0.00 0.00 0.00 179.25 178.63 1ib7 h ARG 68 N 0.16 0.03 0.39 0.00 9.65 0.23 1.00 114.38 125.83 1ib7 h ARG 68 Ca 0.05 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 1ib7 h ARG 68 Cb 0.54 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1ib7 h ARG 68 CO 0.02 0.02 -0.19 0.93 2.80 0.00 0.00 179.97 183.56 1ib7 h GLU 69 N 0.03 -0.50 0.14 0.20 5.08 -1.29 -2.78 114.58 115.45 1ib7 h GLU 69 Ca 0.61 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1ib7 h GLU 69 Cb 1.30 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1ib7 h GLU 69 CO -0.88 -0.20 -0.14 -0.07 -1.00 0.00 0.00 179.01 176.72 1ib7 h LEU 70 N -0.80 -0.39 -0.51 1.33 4.07 -0.33 0.18 115.31 118.86 1ib7 h LEU 70 Ca -0.05 0.03 0.05 0.00 0.08 0.00 0.00 57.88 57.99 1ib7 h LEU 70 Cb 0.53 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.34 1ib7 h LEU 70 CO 0.09 -0.19 -0.29 -1.20 -1.08 0.00 0.00 178.44 175.77 1ib7 n SER 71 N -3.18 -0.51 0.28 -0.43 7.64 0.31 0.23 113.62 117.96 1ib7 n SER 71 Ca -0.03 0.90 -0.17 0.00 1.01 0.00 0.00 58.87 60.58 1ib7 n SER 71 Cb 0.13 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.79 -0.85 1.43 1.57 -1.23 -1.05 116.57 115.64 1ib7 h LYS 72 Ca 0.09 0.05 0.22 0.00 -1.87 0.00 0.00 60.65 59.15 1ib7 h LYS 72 Cb 0.22 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1ib7 h LYS 72 CO -0.48 -0.53 0.59 1.15 -0.57 0.00 0.00 179.45 179.61 1ib7 h THR 73 N -0.82 0.63 -1.00 -0.16 2.02 0.47 0.32 112.91 114.37 1ib7 h THR 73 Ca -0.05 -0.06 -0.65 0.00 0.77 0.00 0.00 66.41 66.43 1ib7 h THR 73 Cb 0.70 0.45 -0.29 0.00 -1.74 0.00 0.00 68.15 67.27 1ib7 h THR 73 CO -0.00 0.03 0.83 -1.22 0.37 0.00 0.00 175.52 175.53 1ib7 n TYR 74 N -4.38 3.21 -4.96 3.16 4.02 0.61 -4.93 117.16 113.89 1ib7 n TYR 74 Ca 0.18 -2.82 -0.32 0.00 -0.01 0.00 0.00 57.90 54.93 1ib7 n TYR 74 Cb 0.81 -1.36 -0.14 0.00 -0.02 0.00 0.00 39.34 38.63 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 -4.55 2.89 0.00 -0.72 -1.16 0.11 -1.88 121.20 115.90 1ib7 s ILE 75 Ca 0.63 -0.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.99 1ib7 s ILE 75 Cb 0.50 -2.12 0.00 0.00 0.61 0.00 0.00 42.46 41.46 1ib7 s ILE 75 CO 0.01 0.59 0.00 2.30 -2.81 0.00 0.00 174.94 175.03 1ib7 n ILE 76 N 2.36 0.00 -2.40 2.00 -0.00 -1.26 -4.97 119.36 115.09 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 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 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 3.17 -0.60 3.46 3.28 0.00 -1.26 -4.69 105.19 108.54 1ib7 n GLY 77 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.26 1.65 0.01 1.61 -1.05 0.05 -2.33 118.70 118.38 1ib7 s GLU 78 Ca 0.00 -1.89 0.00 0.00 -0.15 0.00 0.00 54.97 52.93 1ib7 s GLU 78 Cb 0.00 -1.03 -0.04 0.00 -0.44 0.00 0.00 34.13 32.63 1ib7 s GLU 78 CO 0.00 -0.11 0.07 -0.48 0.95 0.00 0.00 175.26 175.70 1ib7 s LEU 79 N -3.49 3.85 -0.63 1.83 -0.00 -1.26 -0.34 118.68 118.64 1ib7 s LEU 79 Ca 0.34 0.11 -0.32 0.00 -0.00 0.00 0.00 54.13 54.26 1ib7 s LEU 79 Cb 0.07 -2.29 -0.17 0.00 -0.00 0.00 0.00 46.19 43.81 1ib7 s LEU 79 CO 0.15 0.26 2.04 1.57 -0.00 0.00 0.00 176.35 180.36 1ib7 n HIS 80 N 1.09 0.74 0.96 3.48 -0.00 0.53 -4.70 115.22 117.31 1ib7 n HIS 80 Ca -0.12 0.49 0.11 0.00 -0.00 0.00 0.00 57.72 58.20 1ib7 n HIS 80 Cb 0.52 -1.97 0.53 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 6.74 0.21 0.07 1.57 -0.04 -1.26 -1.33 135.00 140.96 1ib7 n PRO 81 Ca 0.51 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.97 1ib7 n PRO 81 Cb -0.01 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.83 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 0.09 0.00 3.54 1.82 -1.99 -3.26 116.42 116.62 1ib7 h ASP 82 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1ib7 h ASP 82 Cb 0.27 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1ib7 h ASP 82 CO 0.00 1.08 -1.58 0.47 -1.61 0.00 0.00 179.24 177.60 1ib7 n ASP 83 N -3.39 0.43 0.25 2.28 8.00 -1.04 -4.14 116.55 118.93 1ib7 n ASP 83 Ca -0.02 -0.42 0.17 0.00 0.71 0.00 0.00 54.79 55.23 1ib7 n ASP 83 Cb 0.96 1.58 0.87 0.00 -0.02 0.00 0.00 41.12 44.51 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 0.00 0.00 -0.88 -1.24 1.12 -1.25 -1.00 114.38 111.14 1ib7 h ARG 84 Ca 0.00 0.00 -0.61 0.00 -1.11 0.00 0.00 59.98 58.26 1ib7 h ARG 84 Cb 0.79 0.00 -0.34 0.00 -0.01 0.00 0.00 29.97 30.41 1ib7 h ARG 84 CO 0.00 0.00 0.16 0.43 -3.11 0.00 0.00 179.97 177.45 1ib7 n SER 85 N -2.69 6.32 0.03 -3.80 7.64 -1.25 -4.43 113.62 115.42 1ib7 n SER 85 Ca -0.02 -3.77 0.11 0.00 1.01 0.00 0.00 58.87 56.20 1ib7 n SER 85 Cb 0.09 -0.71 0.01 0.00 -1.01 0.00 0.00 64.21 62.59 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 -0.85 0.30 -0.03 1.43 4.81 -0.38 -4.21 118.16 119.23 1ib7 n LYS 86 Ca 0.54 -0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.85 1ib7 n LYS 86 Cb 0.82 -1.59 -0.10 0.00 0.02 0.00 0.00 35.03 34.18 1ib7 n LYS 86 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1ib7 h ILE 87 N 0.00 1.39 0.00 3.15 5.03 -1.81 -3.53 117.51 121.74 1ib7 h ILE 87 Ca 0.00 -1.67 0.00 0.00 -0.12 0.00 0.00 64.86 63.07 1ib7 h ILE 87 Cb 0.73 2.45 0.00 0.00 -3.03 0.00 0.00 36.82 36.97 1ib7 h ILE 87 CO 0.00 0.40 0.00 0.00 -0.68 0.00 0.00 178.15 177.87