#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 3.24 -0.41 1.45 -0.14 -1.26 -5.01 119.74 117.60 1ib7 s LYS 5 Ca 0.00 -0.71 -0.14 0.00 -1.36 0.00 0.00 55.97 53.76 1ib7 s LYS 5 Cb 0.00 -2.80 0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1ib7 s LYS 5 CO 0.00 -0.15 0.30 0.71 -0.76 0.00 0.00 175.35 175.44 1ib7 s TYR 6 N 1.27 3.24 0.14 3.18 2.02 -1.24 -0.24 117.35 125.72 1ib7 s TYR 6 Ca 0.03 -0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 1ib7 s TYR 6 Cb -0.14 -2.65 -0.05 0.00 -0.40 0.00 0.00 41.96 38.72 1ib7 s TYR 6 CO -0.05 -0.64 0.33 0.71 -1.57 0.00 0.00 175.55 174.33 1ib7 s TYR 7 N 1.64 3.49 0.34 2.71 2.02 0.76 -4.64 117.35 123.68 1ib7 s TYR 7 Ca 0.04 0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.95 1ib7 s TYR 7 Cb -0.20 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.39 1ib7 s TYR 7 CO 0.09 0.47 0.80 0.95 -1.57 0.00 0.00 175.55 176.29 1ib7 s THR 8 N -1.68 4.56 0.53 -0.71 -4.23 -1.26 0.22 115.64 113.08 1ib7 s THR 8 Ca 0.38 1.18 0.27 0.00 -1.18 0.00 0.00 61.69 62.34 1ib7 s THR 8 Cb -0.12 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1ib7 s THR 8 CO 0.27 -0.16 1.82 0.17 -0.54 0.00 0.00 174.62 176.18 1ib7 h LEU 9 N 2.33 0.00 -0.90 4.79 -0.00 -1.94 0.39 115.31 119.97 1ib7 h LEU 9 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.34 1ib7 h LEU 9 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1ib7 h LEU 9 CO 0.64 0.00 0.14 -0.33 -0.00 0.00 0.00 178.44 178.89 1ib7 h GLU 10 N 0.00 0.95 0.00 0.17 5.08 -1.99 -2.76 114.58 116.03 1ib7 h GLU 10 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ib7 h GLU 10 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ib7 h GLU 10 CO 0.00 0.85 0.00 0.39 -1.00 0.00 0.00 179.01 179.25 1ib7 n GLU 11 N -4.25 0.00 -0.26 2.33 4.71 0.14 -1.32 120.64 121.99 1ib7 n GLU 11 Ca 0.04 0.36 0.15 0.00 -0.01 0.00 0.00 57.16 57.70 1ib7 n GLU 11 Cb 0.24 -1.32 0.29 0.00 -1.01 0.00 0.00 31.44 29.64 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 -1.53 -0.32 0.00 -3.67 -0.00 -1.24 0.13 119.36 112.74 1ib7 n ILE 12 Ca 0.00 1.65 0.00 0.00 -0.00 0.00 0.00 62.75 64.40 1ib7 n ILE 12 Cb 0.00 -2.48 0.00 0.00 -0.00 0.00 0.00 39.64 37.16 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 -4.97 0.00 0.03 6.28 1.13 -1.04 -2.04 117.38 116.77 1ib7 n GLN 13 Ca 0.21 0.15 0.21 0.00 -1.94 0.00 0.00 57.00 55.63 1ib7 n GLN 13 Cb 0.70 -1.05 0.59 0.00 0.11 0.00 0.00 30.24 30.60 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 -1.56 -1.09 2.10 0.19 0.62 116.57 116.83 1ib7 h LYS 14 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1ib7 h LYS 14 Cb 0.00 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 31.12 1ib7 h LYS 14 CO 0.00 0.00 0.63 0.72 -2.00 0.00 0.00 179.45 178.80 1ib7 n HIS 15 N -3.36 2.22 -1.50 0.07 8.25 0.36 -4.36 115.22 116.90 1ib7 n HIS 15 Ca 0.11 -2.30 -0.15 0.00 -0.26 0.00 0.00 57.72 55.12 1ib7 n HIS 15 Cb 0.94 -1.23 0.15 0.00 1.12 0.00 0.00 29.99 30.97 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 0.00 2.28 -4.31 -0.41 4.81 0.22 -1.90 118.16 118.86 1ib7 n LYS 16 Ca 0.47 -3.33 -0.16 0.00 -0.87 0.00 0.00 58.31 54.41 1ib7 n LYS 16 Cb 0.54 -2.01 -0.10 0.00 0.02 0.00 0.00 35.03 33.48 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ib7 s ASP 17 N -2.42 2.06 0.21 3.14 -1.08 -1.20 -4.90 116.67 112.48 1ib7 s ASP 17 Ca 0.50 -1.08 -0.14 0.00 -0.52 0.00 0.00 52.55 51.32 1ib7 s ASP 17 Cb 0.43 -0.05 0.23 0.00 -1.46 0.00 0.00 42.92 42.07 1ib7 s ASP 17 CO 0.02 -0.34 1.62 -1.28 0.52 0.00 0.00 175.17 175.71 1ib7 h SER 18 N 2.61 -0.62 -0.97 -0.34 0.87 -1.98 -0.44 113.55 112.69 1ib7 h SER 18 Ca -0.38 0.19 0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1ib7 h SER 18 Cb 1.21 0.40 -0.12 0.00 -0.44 0.00 0.00 62.40 63.44 1ib7 h SER 18 CO 0.64 -0.21 -0.53 0.29 -0.53 0.00 0.00 176.83 176.48 1ib7 n LYS 19 N -5.43 -0.39 -3.61 2.24 4.01 -1.26 -3.75 118.16 109.96 1ib7 n LYS 19 Ca 0.07 1.47 -0.29 0.00 -0.51 0.00 0.00 58.31 59.05 1ib7 n LYS 19 Cb 0.33 -2.17 -0.14 0.00 -0.51 0.00 0.00 35.03 32.54 1ib7 n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1ib7 s SER 20 N -5.46 3.60 -0.39 4.39 0.01 -0.25 -4.95 113.70 110.64 1ib7 s SER 20 Ca -0.12 -1.78 -0.13 0.00 1.31 0.00 0.00 55.95 55.23 1ib7 s SER 20 Cb 0.13 -0.63 0.03 0.00 0.21 0.00 0.00 66.02 65.75 1ib7 s SER 20 CO 0.62 -0.38 0.26 -0.89 0.41 0.00 0.00 173.24 173.26 1ib7 s THR 21 N 1.48 4.91 0.30 1.44 2.01 -0.72 -3.25 115.64 121.79 1ib7 s THR 21 Ca 0.12 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 61.42 1ib7 s THR 21 Cb -0.19 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1ib7 s THR 21 CO -0.20 -0.29 0.16 0.26 -0.69 0.00 0.00 174.62 173.86 1ib7 s TRP 22 N 1.61 2.87 -0.22 4.92 0.52 -0.80 -3.09 118.94 124.75 1ib7 s TRP 22 Ca 0.03 -0.25 -0.07 0.00 0.02 0.00 0.00 56.10 55.83 1ib7 s TRP 22 Cb -0.19 -1.50 0.10 0.00 -1.15 0.00 0.00 33.47 30.73 1ib7 s TRP 22 CO 0.08 0.42 0.47 0.54 0.02 0.00 0.00 176.95 178.49 1ib7 s VAL 23 N -2.29 -0.73 -0.26 4.03 0.11 -1.19 -1.28 120.40 118.79 1ib7 s VAL 23 Ca 0.35 0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.24 1ib7 s VAL 23 Cb -0.06 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1ib7 s VAL 23 CO 0.24 0.05 1.65 -0.63 -3.33 0.00 0.00 175.10 173.08 1ib7 s ILE 24 N 2.68 3.65 -0.20 7.04 1.01 -1.23 -0.51 121.20 133.64 1ib7 s ILE 24 Ca -0.02 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.35 1ib7 s ILE 24 Cb -0.12 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.67 1ib7 s ILE 24 CO -0.14 -0.35 -0.14 -0.76 0.00 0.00 0.00 174.94 173.55 1ib7 s LEU 25 N 5.62 2.42 -1.14 2.97 1.02 0.14 -3.34 118.68 126.37 1ib7 s LEU 25 Ca 0.73 -0.89 -0.33 0.00 0.02 0.00 0.00 54.13 53.66 1ib7 s LEU 25 Cb -0.24 -1.37 0.05 0.00 0.02 0.00 0.00 46.19 44.65 1ib7 s LEU 25 CO 0.31 -0.10 0.64 0.00 0.02 0.00 0.00 176.35 177.21 1ib7 n HIS 26 N 4.62 -1.30 -3.67 0.29 1.44 -1.26 0.29 115.22 115.63 1ib7 n HIS 26 Ca -0.17 0.06 -0.23 0.00 -2.01 0.00 0.00 57.72 55.38 1ib7 n HIS 26 Cb 0.47 -2.59 0.03 0.00 0.12 0.00 0.00 29.99 28.02 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 -4.80 -1.95 -3.15 -1.40 8.25 -1.26 -4.97 115.22 105.94 1ib7 n HIS 27 Ca -0.11 0.77 0.05 0.00 -0.26 0.00 0.00 57.72 58.17 1ib7 n HIS 27 Cb 0.53 -4.17 -0.01 0.00 1.12 0.00 0.00 29.99 27.46 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 -5.86 0.30 0.33 -0.41 1.02 0.14 -4.53 119.74 110.73 1ib7 s LYS 28 Ca 0.13 0.46 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 1ib7 s LYS 28 Cb -0.03 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 37.42 1ib7 s LYS 28 CO 0.82 -0.39 1.24 0.14 -0.92 0.00 0.00 175.35 176.24 1ib7 s VAL 29 N 2.92 2.95 -0.30 3.17 -7.23 -0.97 0.25 120.40 121.19 1ib7 s VAL 29 Ca 0.10 0.94 0.00 0.00 -1.81 0.00 0.00 61.98 61.21 1ib7 s VAL 29 Cb -0.10 -3.59 0.06 0.00 0.56 0.00 0.00 36.38 33.32 1ib7 s VAL 29 CO -0.17 0.21 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.52 1ib7 s TYR 30 N -1.17 3.36 -1.21 2.82 1.51 0.33 -4.28 117.35 118.71 1ib7 s TYR 30 Ca 0.49 -2.20 -0.18 0.00 -1.01 0.00 0.00 57.07 54.16 1ib7 s TYR 30 Cb -0.37 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 1ib7 s TYR 30 CO 0.49 -0.86 2.01 -3.47 -1.11 0.00 0.00 175.55 172.61 1ib7 n ASP 31 N 4.52 3.64 -1.91 2.29 2.03 -0.85 -3.18 116.55 123.09 1ib7 n ASP 31 Ca -0.10 -2.80 -0.18 0.00 0.52 0.00 0.00 54.79 52.23 1ib7 n ASP 31 Cb 0.43 -1.54 0.05 0.00 -0.72 0.00 0.00 41.12 39.33 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 7.94 6.39 0.29 -2.67 -0.00 -1.18 -4.51 117.00 123.26 1ib7 n LEU 32 Ca 0.50 -3.31 -0.16 0.00 -0.00 0.00 0.00 56.01 53.04 1ib7 n LEU 32 Cb 0.42 -0.99 -0.08 0.00 -0.00 0.00 0.00 43.42 42.76 1ib7 n LEU 32 CO 0.88 1.19 0.70 0.74 -0.00 0.00 0.00 177.39 180.90 1ib7 h THR 33 N 0.93 0.51 -0.59 1.47 2.02 -1.84 0.59 112.91 116.00 1ib7 h THR 33 Ca 0.33 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 1ib7 h THR 33 Cb 1.06 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1ib7 h THR 33 CO 0.83 0.00 0.32 0.11 0.37 0.00 0.00 175.52 177.15 1ib7 h LYS 34 N -0.69 0.81 -0.94 6.66 6.56 -1.91 -1.44 116.57 125.62 1ib7 h LYS 34 Ca -0.07 -0.09 -0.19 0.00 -1.06 0.00 0.00 60.65 59.24 1ib7 h LYS 34 Cb 0.52 -0.16 -0.11 0.00 -0.57 0.00 0.00 32.23 31.91 1ib7 h LYS 34 CO 0.11 0.62 0.24 0.98 -2.06 0.00 0.00 179.45 179.34 1ib7 n TYR 35 N -4.59 1.41 -0.05 -1.35 9.36 -1.09 -4.12 117.16 116.72 1ib7 n TYR 35 Ca 0.04 -0.95 -0.15 0.00 3.32 0.00 0.00 57.90 60.16 1ib7 n TYR 35 Cb 0.08 -0.52 -0.13 0.00 -0.63 0.00 0.00 39.34 38.14 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 1.29 0.08 -0.06 2.98 7.12 0.13 -2.97 115.31 123.88 1ib7 h LEU 36 Ca 0.23 -0.98 0.00 0.00 0.13 0.00 0.00 57.88 57.26 1ib7 h LEU 36 Cb 1.75 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.85 1ib7 h LEU 36 CO 0.47 1.08 -0.47 -1.84 -0.13 0.00 0.00 178.44 177.55 1ib7 n GLU 37 N -4.52 0.10 0.14 1.25 0.28 -1.26 -3.63 120.64 113.00 1ib7 n GLU 37 Ca -0.11 -0.06 0.09 0.00 -0.16 0.00 0.00 57.16 56.92 1ib7 n GLU 37 Cb 0.54 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.96 1ib7 n GLU 37 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ib7 h GLU 38 N 0.15 0.00 -6.26 3.44 5.08 -1.73 -3.47 114.58 111.79 1ib7 h GLU 38 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ib7 h GLU 38 CO 0.00 0.09 0.75 1.58 -1.00 0.00 0.00 179.01 180.43 1ib7 n HIS 39 N -2.90 1.92 0.13 4.33 -0.00 -1.12 -4.84 115.22 112.73 1ib7 n HIS 39 Ca 0.00 0.46 -0.01 0.00 0.46 0.00 0.00 57.72 58.64 1ib7 n HIS 39 Cb 0.60 -2.45 0.12 0.00 -0.12 0.00 0.00 29.99 28.14 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 6.31 0.00 0.21 1.57 0.13 -1.92 -3.34 132.00 134.96 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 0.64 -0.10 0.78 -0.23 0.00 0.00 178.00 179.97 1ib7 h GLY 41 N 2.35 -0.29 -5.05 1.56 0.00 -1.99 -3.49 103.07 96.16 1ib7 h GLY 41 Ca -0.01 0.11 0.15 0.00 0.00 0.00 0.00 47.33 47.59 1ib7 h GLY 41 CO 0.08 -0.11 0.74 -0.32 0.00 0.00 0.00 176.54 176.93 1ib7 s GLY 42 N -1.76 -0.01 0.03 4.60 0.00 -1.25 -5.04 107.32 103.89 1ib7 s GLY 42 Ca -0.04 2.69 0.10 0.00 0.00 0.00 0.00 44.72 47.48 1ib7 s GLY 42 CO 0.12 1.36 0.93 1.05 0.00 0.00 0.00 173.10 176.56 1ib7 h GLU 43 N 2.75 0.00 0.16 2.90 4.11 -1.81 -3.35 114.58 119.34 1ib7 h GLU 43 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.24 1ib7 h GLU 43 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ib7 h GLU 43 CO 0.22 0.70 -0.08 1.49 0.07 0.00 0.00 179.01 181.42 1ib7 h GLU 44 N 0.00 -0.21 -1.88 1.06 4.57 -1.96 -1.80 114.58 114.36 1ib7 h GLU 44 Ca -0.17 0.01 0.54 0.00 -1.18 0.00 0.00 59.36 58.57 1ib7 h GLU 44 Cb 1.90 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 30.47 1ib7 h GLU 44 CO 0.10 0.21 1.41 1.55 -1.18 0.00 0.00 179.01 181.09 1ib7 n VAL 45 N -4.91 0.00 -0.04 0.32 3.14 -1.26 0.27 118.33 115.85 1ib7 n VAL 45 Ca -0.07 1.46 -0.01 0.00 -2.96 0.00 0.00 64.34 62.76 1ib7 n VAL 45 Cb 0.25 -2.46 -0.00 0.00 -1.06 0.00 0.00 33.84 30.57 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 0.44 6.55 3.38 -1.68 -3.33 115.31 120.66 1ib7 h LEU 46 Ca 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.85 1ib7 h LEU 46 Cb 3.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.43 1ib7 h LEU 46 CO -0.01 0.39 -0.34 0.03 0.09 0.00 0.00 178.44 178.60 1ib7 h ARG 47 N -0.65 -0.75 -0.66 1.13 3.08 0.33 1.24 114.38 118.11 1ib7 h ARG 47 Ca 0.00 0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.30 1ib7 h ARG 47 Cb 0.13 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 1ib7 h ARG 47 CO 0.00 -0.50 0.07 -1.91 -1.07 0.00 0.00 179.97 176.56 1ib7 n GLU 48 N -5.46 -0.05 -2.55 0.04 4.07 0.76 0.40 120.64 117.85 1ib7 n GLU 48 Ca -0.11 0.98 -0.16 0.00 -0.06 0.00 0.00 57.16 57.82 1ib7 n GLU 48 Cb 0.36 -1.59 0.02 0.00 -0.06 0.00 0.00 31.44 30.17 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 -4.82 2.31 0.00 5.31 10.64 -0.90 -4.93 117.38 124.99 1ib7 n GLN 49 Ca 0.17 -3.83 0.00 0.00 -1.83 0.00 0.00 57.00 51.51 1ib7 n GLN 49 Cb 0.57 -1.76 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 -0.36 0.00 -0.54 2.61 0.00 0.42 -3.78 120.51 118.87 1ib7 n ALA 50 Ca 0.23 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.11 1ib7 n ALA 50 Cb 0.78 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.98 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 0.46 0.00 0.00 0.00 -1.22 -3.32 103.07 98.99 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 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.01 1ib7 n GLY 52 N -1.75 -3.48 2.68 4.60 0.00 -1.25 -4.44 105.19 101.55 1ib7 n GLY 52 Ca 0.38 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.99 2.68 -0.26 1.61 2.15 -1.25 -3.48 116.67 116.12 1ib7 s ASP 53 Ca 0.00 -0.74 0.11 0.00 0.43 0.00 0.00 52.55 52.35 1ib7 s ASP 53 Cb 0.00 -0.44 0.51 0.00 -0.30 0.00 0.00 42.92 42.68 1ib7 s ASP 53 CO 0.00 -0.33 1.45 0.00 -0.17 0.00 0.00 175.17 176.13 1ib7 n ALA 54 N 5.15 3.98 0.27 3.66 0.00 -1.23 -4.73 120.51 127.61 1ib7 n ALA 54 Ca -0.08 -2.95 -0.18 0.00 0.00 0.00 0.00 53.44 50.24 1ib7 n ALA 54 Cb 0.48 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 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 1.13 0.07 -0.52 0.00 2.02 -1.93 0.72 112.91 114.40 1ib7 h THR 55 Ca 0.17 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1ib7 h THR 55 Cb 1.61 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1ib7 h THR 55 CO 0.35 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.90 1ib7 h GLU 56 N -0.94 0.93 0.00 6.66 4.39 -1.92 0.35 114.58 124.05 1ib7 h GLU 56 Ca -0.05 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1ib7 h GLU 56 Cb 0.83 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1ib7 h GLU 56 CO -0.07 0.96 0.00 0.09 -1.16 0.00 0.00 179.01 178.83 1ib7 n ASN 57 N -4.28 0.56 -0.11 1.42 4.13 -1.06 0.20 115.26 116.12 1ib7 n ASN 57 Ca 0.01 0.70 -0.18 0.00 1.68 0.00 0.00 54.58 56.79 1ib7 n ASN 57 Cb 0.33 -0.79 -0.12 0.00 -1.54 0.00 0.00 39.78 37.65 1ib7 n ASN 57 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1ib7 n PHE 58 N -2.19 0.19 0.10 3.10 7.35 0.25 -4.06 117.46 122.20 1ib7 n PHE 58 Ca 0.00 0.04 -0.16 0.00 -0.76 0.00 0.00 57.45 56.57 1ib7 n PHE 58 Cb 0.13 -1.02 -0.14 0.00 0.35 0.00 0.00 39.48 38.79 1ib7 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ib7 h GLU 59 N 0.01 0.27 -0.68 -4.13 5.08 0.14 -3.21 114.58 112.05 1ib7 h GLU 59 Ca -0.56 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 57.40 1ib7 h GLU 59 Cb 1.92 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.29 1ib7 h GLU 59 CO -0.06 1.20 0.40 0.22 -1.00 0.00 0.00 179.01 179.77 1ib7 h ASP 60 N 0.07 0.62 0.63 1.42 3.58 0.20 0.34 116.42 123.29 1ib7 h ASP 60 Ca -0.15 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1ib7 h ASP 60 Cb 1.98 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1ib7 h ASP 60 CO 0.20 0.41 0.00 -0.37 -2.88 0.00 0.00 179.24 176.60 1ib7 h VAL 61 N 0.75 0.00 -5.08 2.25 -1.51 -1.70 -3.47 116.25 107.49 1ib7 h VAL 61 Ca 0.30 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1ib7 h VAL 61 Cb 0.13 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1ib7 h VAL 61 CO -0.16 0.00 -0.66 0.61 -1.23 0.00 0.00 177.57 176.14 1ib7 n GLY 62 N -0.32 -2.47 3.76 5.19 0.00 0.12 -4.94 105.19 106.53 1ib7 n GLY 62 Ca 0.00 0.88 -0.40 0.00 0.00 0.00 0.00 46.02 46.49 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 3.33 0.80 1.61 3.76 -1.25 -5.02 115.29 116.41 1ib7 s HIS 63 Ca 0.14 1.57 -0.11 0.00 -0.15 0.00 0.00 55.06 56.50 1ib7 s HIS 63 Cb -0.04 -3.47 0.08 0.00 1.11 0.00 0.00 32.58 30.26 1ib7 s HIS 63 CO 0.73 -1.15 1.16 -1.54 -0.85 0.00 0.00 174.74 173.09 1ib7 s SER 64 N -0.70 4.53 0.25 1.40 1.04 -1.26 -4.89 113.70 114.07 1ib7 s SER 64 Ca 0.46 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.61 1ib7 s SER 64 Cb -0.36 -1.25 0.48 0.00 0.10 0.00 0.00 66.02 65.00 1ib7 s SER 64 CO 0.47 -1.88 1.75 0.74 0.98 0.00 0.00 173.24 175.30 1ib7 h THR 65 N -1.01 0.71 -0.98 2.02 2.02 -2.00 0.12 112.91 113.79 1ib7 h THR 65 Ca -0.46 -0.19 0.32 0.00 0.77 0.00 0.00 66.41 66.86 1ib7 h THR 65 Cb 1.33 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 67.70 1ib7 h THR 65 CO 0.65 0.10 0.48 0.44 0.37 0.00 0.00 175.52 177.56 1ib7 h ASP 66 N 0.55 0.34 -0.17 4.18 3.32 -2.01 0.93 116.42 123.55 1ib7 h ASP 66 Ca 0.43 0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.65 1ib7 h ASP 66 Cb 0.61 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1ib7 h ASP 66 CO -0.37 -0.21 -0.05 0.00 -1.72 0.00 0.00 179.24 176.89 1ib7 h ALA 67 N 1.88 0.24 -0.96 3.45 0.00 -1.12 -2.90 119.26 119.85 1ib7 h ALA 67 Ca 0.72 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 55.63 1ib7 h ALA 67 Cb 1.67 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.22 1ib7 h ALA 67 CO -0.66 0.02 0.01 -0.09 0.00 0.00 0.00 179.25 178.52 1ib7 h ARG 68 N 0.04 0.02 0.38 0.00 2.43 0.12 1.05 114.38 118.41 1ib7 h ARG 68 Ca 0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ib7 h ARG 68 Cb 0.50 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ib7 h ARG 68 CO 0.02 0.02 -0.18 1.49 -1.51 0.00 0.00 179.97 179.80 1ib7 h GLU 69 N 0.02 -0.49 0.25 0.20 4.22 -1.29 -2.15 114.58 115.33 1ib7 h GLU 69 Ca 0.57 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 60.03 1ib7 h GLU 69 Cb 1.13 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1ib7 h GLU 69 CO -0.90 -0.24 -0.19 -0.07 -2.18 0.00 0.00 179.01 175.43 1ib7 h LEU 70 N -0.67 -0.51 -0.68 1.64 4.07 -0.22 0.20 115.31 119.14 1ib7 h LEU 70 Ca -0.05 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.02 1ib7 h LEU 70 Cb 0.48 0.16 -0.09 0.00 1.08 0.00 0.00 40.66 42.29 1ib7 h LEU 70 CO 0.09 -0.27 -0.35 -1.20 -1.08 0.00 0.00 178.44 175.62 1ib7 n SER 71 N -3.48 -0.62 0.01 -0.43 7.64 0.32 0.23 113.62 117.28 1ib7 n SER 71 Ca -0.05 1.21 -0.10 0.00 1.01 0.00 0.00 58.87 60.94 1ib7 n SER 71 Cb 0.19 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.11 -0.17 1.43 3.64 -1.18 -0.12 116.57 120.06 1ib7 h LYS 72 Ca 0.15 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1ib7 h LYS 72 Cb 0.33 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ib7 h LYS 72 CO -0.65 -0.07 0.12 1.15 -2.27 0.00 0.00 179.45 177.73 1ib7 h THR 73 N -0.11 0.95 -1.00 1.00 2.02 0.54 -1.04 112.91 115.28 1ib7 h THR 73 Ca 0.07 -0.02 -0.67 0.00 0.77 0.00 0.00 66.41 66.55 1ib7 h THR 73 Cb 0.22 0.87 -0.29 0.00 -1.74 0.00 0.00 68.15 67.21 1ib7 h THR 73 CO -0.17 0.01 0.86 -1.22 0.37 0.00 0.00 175.52 175.38 1ib7 n TYR 74 N -4.50 3.23 -4.93 3.16 4.02 0.62 -4.93 117.16 113.84 1ib7 n TYR 74 Ca 0.01 -2.98 -0.33 0.00 -0.01 0.00 0.00 57.90 54.59 1ib7 n TYR 74 Cb 0.20 -1.43 -0.13 0.00 -0.02 0.00 0.00 39.34 37.96 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 -4.76 2.97 0.00 -0.72 2.07 -0.40 -2.00 121.20 118.36 1ib7 s ILE 75 Ca 0.65 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1ib7 s ILE 75 Cb 0.51 -2.15 0.00 0.00 0.13 0.00 0.00 42.46 40.95 1ib7 s ILE 75 CO -0.00 0.59 0.00 2.30 -1.91 0.00 0.00 174.94 175.92 1ib7 n ILE 76 N 2.32 0.00 -3.22 2.00 -0.00 -1.26 -4.97 119.36 114.23 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 -0.51 0.00 0.00 -0.00 0.00 0.00 39.64 39.65 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 3.06 -1.13 3.69 3.28 0.00 -1.26 -4.68 105.19 108.16 1ib7 n GLY 77 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.43 2.12 0.07 1.61 -1.05 0.67 -2.29 118.70 119.41 1ib7 s GLU 78 Ca 0.00 -1.94 0.01 0.00 -0.15 0.00 0.00 54.97 52.89 1ib7 s GLU 78 Cb 0.00 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 1ib7 s GLU 78 CO 0.00 -0.09 0.15 -0.48 0.95 0.00 0.00 175.26 175.79 1ib7 s LEU 79 N -3.83 4.11 -0.36 1.83 -0.00 -1.26 -0.17 118.68 119.00 1ib7 s LEU 79 Ca 0.39 0.14 -0.39 0.00 -0.00 0.00 0.00 54.13 54.27 1ib7 s LEU 79 Cb 0.06 -2.74 -0.14 0.00 -0.00 0.00 0.00 46.19 43.37 1ib7 s LEU 79 CO 0.21 0.17 2.03 1.57 -0.00 0.00 0.00 176.35 180.33 1ib7 n HIS 80 N 0.34 1.66 1.06 3.48 -0.00 0.60 -4.68 115.22 117.68 1ib7 n HIS 80 Ca -0.07 0.47 0.11 0.00 -0.00 0.00 0.00 57.72 58.24 1ib7 n HIS 80 Cb 0.51 -2.45 0.57 0.00 -0.00 0.00 0.00 29.99 28.62 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 7.12 0.31 0.09 1.57 -0.04 -1.26 -1.38 135.00 141.41 1ib7 n PRO 81 Ca 0.39 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1ib7 n PRO 81 Cb 0.14 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 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 0.00 3.54 3.58 -1.98 -3.27 116.42 118.54 1ib7 h ASP 82 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1ib7 h ASP 82 Cb 0.22 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1ib7 h ASP 82 CO 0.00 1.19 -1.46 0.47 -2.88 0.00 0.00 179.24 176.56 1ib7 n ASP 83 N -3.47 0.54 -0.06 2.28 9.92 -1.06 -4.24 116.55 120.46 1ib7 n ASP 83 Ca -0.05 -0.53 0.03 0.00 -0.53 0.00 0.00 54.79 53.71 1ib7 n ASP 83 Cb 0.97 1.47 0.38 0.00 -0.64 0.00 0.00 41.12 43.30 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 0.66 0.00 -1.24 9.65 -1.27 0.41 114.38 122.59 1ib7 h ARG 84 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1ib7 h ARG 84 Cb 0.73 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1ib7 h ARG 84 CO 0.00 0.44 -0.13 1.03 2.80 0.00 0.00 179.97 184.11 1ib7 h SER 85 N 0.68 0.00 -0.63 -3.80 0.87 -1.74 -3.21 113.55 105.73 1ib7 h SER 85 Ca 0.19 -0.01 -0.38 0.00 -1.23 0.00 0.00 61.79 60.36 1ib7 h SER 85 Cb -0.06 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 61.71 1ib7 h SER 85 CO -0.04 0.00 0.49 1.17 -0.53 0.00 0.00 176.83 177.92 1ib7 n LYS 86 N -2.85 1.94 0.15 2.24 4.81 0.13 -4.21 118.16 120.37 1ib7 n LYS 86 Ca 0.04 -1.99 -0.25 0.00 -0.87 0.00 0.00 58.31 55.24 1ib7 n LYS 86 Cb 0.51 -1.78 -0.16 0.00 0.02 0.00 0.00 35.03 33.62 1ib7 n LYS 86 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1ib7 h ILE 87 N 0.83 1.26 0.00 3.15 6.09 -1.55 -3.49 117.51 123.80 1ib7 h ILE 87 Ca 0.39 -2.69 0.00 0.00 -1.37 0.00 0.00 64.86 61.19 1ib7 h ILE 87 Cb 1.48 3.04 0.00 0.00 0.47 0.00 0.00 36.82 41.81 1ib7 h ILE 87 CO 0.86 0.81 0.00 0.00 -3.07 0.00 0.00 178.15 176.76