#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 3.23 -0.29 1.45 2.47 -1.26 -4.98 119.74 120.35 1ib7 s LYS 5 Ca 0.00 -0.72 -0.11 0.00 -1.56 0.00 0.00 55.97 53.58 1ib7 s LYS 5 Cb 0.00 -2.78 -0.04 0.00 -1.46 0.00 0.00 37.83 33.55 1ib7 s LYS 5 CO 0.00 -0.14 0.19 0.71 0.16 0.00 0.00 175.35 176.26 1ib7 s TYR 6 N 1.25 3.21 0.13 4.03 2.02 -1.24 0.65 117.35 127.40 1ib7 s TYR 6 Ca 0.03 -0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 1ib7 s TYR 6 Cb -0.14 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1ib7 s TYR 6 CO -0.05 -0.24 0.01 0.71 -1.57 0.00 0.00 175.55 174.41 1ib7 s TYR 7 N 1.73 2.95 0.45 2.71 2.02 -0.07 -4.71 117.35 122.43 1ib7 s TYR 7 Ca 0.07 -0.07 -0.19 0.00 -0.37 0.00 0.00 57.07 56.51 1ib7 s TYR 7 Cb -0.16 -1.47 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 1ib7 s TYR 7 CO 0.10 0.50 0.94 0.95 -1.57 0.00 0.00 175.55 176.46 1ib7 s THR 8 N -1.51 4.47 0.19 -0.71 -4.23 -1.26 0.19 115.64 112.77 1ib7 s THR 8 Ca 0.27 1.34 0.27 0.00 -1.18 0.00 0.00 61.69 62.39 1ib7 s THR 8 Cb -0.11 -3.64 0.27 0.00 1.34 0.00 0.00 72.50 70.37 1ib7 s THR 8 CO 0.19 -0.42 1.82 0.17 -0.54 0.00 0.00 174.62 175.84 1ib7 h LEU 9 N 1.62 0.00 -0.75 4.79 -0.00 -1.96 0.17 115.31 119.19 1ib7 h LEU 9 Ca -0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.28 1ib7 h LEU 9 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1ib7 h LEU 9 CO 0.62 0.00 -0.30 -0.33 -0.00 0.00 0.00 178.44 178.43 1ib7 h GLU 10 N 0.00 0.62 0.00 0.17 5.08 -1.99 -3.07 114.58 115.38 1ib7 h GLU 10 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ib7 h GLU 10 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ib7 h GLU 10 CO 0.00 0.84 0.00 0.39 -1.00 0.00 0.00 179.01 179.24 1ib7 n GLU 11 N -4.08 0.00 -0.24 2.33 4.71 0.60 -1.40 120.64 122.56 1ib7 n GLU 11 Ca -0.01 0.35 0.10 0.00 -0.01 0.00 0.00 57.16 57.59 1ib7 n GLU 11 Cb 0.46 -1.29 0.19 0.00 -1.01 0.00 0.00 31.44 29.79 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 -1.47 -0.29 0.02 -3.67 -0.00 -1.25 0.10 119.36 112.80 1ib7 n ILE 12 Ca 0.00 1.52 -0.02 0.00 -0.00 0.00 0.00 62.75 64.26 1ib7 n ILE 12 Cb 0.00 -2.21 -0.01 0.00 -0.00 0.00 0.00 39.64 37.42 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 -0.07 0.00 6.28 1.08 -1.40 -0.19 115.11 120.81 1ib7 h GLN 13 Ca 0.41 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1ib7 h GLN 13 Cb 0.83 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1ib7 h GLN 13 CO -0.65 -0.05 0.18 1.57 -0.95 0.00 0.00 178.83 178.92 1ib7 h LYS 14 N -0.08 0.00 -1.35 1.46 2.10 0.98 0.54 116.57 120.22 1ib7 h LYS 14 Ca -0.00 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.95 1ib7 h LYS 14 Cb 0.07 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.12 1ib7 h LYS 14 CO -0.01 0.00 0.92 0.72 -2.00 0.00 0.00 179.45 179.08 1ib7 n HIS 15 N -2.78 3.08 -1.38 0.07 8.25 0.29 -4.42 115.22 118.33 1ib7 n HIS 15 Ca -0.02 -2.76 -0.08 0.00 -0.26 0.00 0.00 57.72 54.60 1ib7 n HIS 15 Cb 0.23 -1.36 0.20 0.00 1.12 0.00 0.00 29.99 30.18 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 -0.73 2.03 -4.36 -0.41 4.81 0.18 -1.84 118.16 117.83 1ib7 n LYS 16 Ca 0.59 -3.13 -0.19 0.00 -0.87 0.00 0.00 58.31 54.71 1ib7 n LYS 16 Cb 0.52 -1.91 -0.10 0.00 0.02 0.00 0.00 35.03 33.56 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 -2.20 2.54 0.21 3.14 1.11 -1.20 -4.93 116.67 115.34 1ib7 s ASP 17 Ca 0.48 -1.06 -0.11 0.00 0.18 0.00 0.00 52.55 52.04 1ib7 s ASP 17 Cb 0.42 -0.13 0.30 0.00 1.07 0.00 0.00 42.92 44.58 1ib7 s ASP 17 CO 0.03 -0.23 1.67 0.28 1.18 0.00 0.00 175.17 178.10 1ib7 h SER 18 N 2.51 -0.24 -0.93 0.27 0.02 -1.97 -0.33 113.55 112.87 1ib7 h SER 18 Ca -0.38 0.15 0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1ib7 h SER 18 Cb 1.22 0.26 -0.15 0.00 0.14 0.00 0.00 62.40 63.87 1ib7 h SER 18 CO 0.63 -0.10 -0.39 0.50 -1.14 0.00 0.00 176.83 176.33 1ib7 h LYS 19 N 0.13 -0.03 -2.76 3.45 3.11 -1.96 -3.32 116.57 115.20 1ib7 h LYS 19 Ca 0.32 0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.62 1ib7 h LYS 19 Cb 0.52 0.01 -0.40 0.00 -1.00 0.00 0.00 32.23 31.36 1ib7 h LYS 19 CO -0.51 -0.02 -0.79 -1.12 -2.81 0.00 0.00 179.45 174.19 1ib7 s SER 20 N -5.33 3.44 -0.35 4.20 0.01 -0.20 -4.93 113.70 110.53 1ib7 s SER 20 Ca -0.14 -1.45 -0.11 0.00 1.31 0.00 0.00 55.95 55.56 1ib7 s SER 20 Cb 0.19 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.07 1ib7 s SER 20 CO 0.71 -0.42 0.20 -0.89 0.41 0.00 0.00 173.24 173.25 1ib7 s THR 21 N 1.92 4.76 0.32 1.44 2.01 -0.79 -3.27 115.64 122.02 1ib7 s THR 21 Ca 0.11 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1ib7 s THR 21 Cb -0.17 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ib7 s THR 21 CO -0.30 -0.11 0.13 0.26 -0.69 0.00 0.00 174.62 173.91 1ib7 s TRP 22 N 1.61 2.77 -0.30 4.92 0.52 -0.77 -2.93 118.94 124.76 1ib7 s TRP 22 Ca 0.04 -0.31 -0.06 0.00 0.02 0.00 0.00 56.10 55.79 1ib7 s TRP 22 Cb -0.18 -1.54 0.16 0.00 -1.15 0.00 0.00 33.47 30.75 1ib7 s TRP 22 CO 0.07 0.40 0.62 0.54 0.02 0.00 0.00 176.95 178.60 1ib7 s VAL 23 N -2.36 -0.99 -0.26 4.03 0.11 -1.22 -1.03 120.40 118.68 1ib7 s VAL 23 Ca 0.36 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.13 1ib7 s VAL 23 Cb -0.04 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1ib7 s VAL 23 CO 0.23 -0.00 1.92 -0.63 -3.33 0.00 0.00 175.10 173.29 1ib7 s ILE 24 N 2.87 3.33 -0.20 7.04 1.01 -1.22 -1.21 121.20 132.82 1ib7 s ILE 24 Ca 0.07 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 1ib7 s ILE 24 Cb -0.13 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1ib7 s ILE 24 CO -0.20 -0.25 -0.14 -0.76 0.00 0.00 0.00 174.94 173.59 1ib7 s LEU 25 N 7.04 2.53 -1.40 2.97 1.02 0.23 -3.32 118.68 127.75 1ib7 s LEU 25 Ca 0.86 -0.68 -0.14 0.00 0.02 0.00 0.00 54.13 54.20 1ib7 s LEU 25 Cb -0.27 -1.57 0.02 0.00 0.02 0.00 0.00 46.19 44.39 1ib7 s LEU 25 CO 0.34 -0.04 0.26 0.00 0.02 0.00 0.00 176.35 176.93 1ib7 n HIS 26 N 4.65 -1.28 -3.42 0.29 1.44 -1.26 0.46 115.22 116.11 1ib7 n HIS 26 Ca -0.19 0.39 -0.17 0.00 -2.01 0.00 0.00 57.72 55.73 1ib7 n HIS 26 Cb 0.49 -2.74 0.08 0.00 0.12 0.00 0.00 29.99 27.95 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 -4.74 -2.22 -3.15 -1.40 8.25 -1.26 -4.99 115.22 105.71 1ib7 n HIS 27 Ca -0.24 0.91 0.05 0.00 -0.26 0.00 0.00 57.72 58.18 1ib7 n HIS 27 Cb 0.64 -4.86 -0.01 0.00 1.12 0.00 0.00 29.99 26.88 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 -5.24 0.30 0.33 -0.41 1.02 0.17 -4.59 119.74 111.32 1ib7 s LYS 28 Ca 0.08 0.52 -0.28 0.00 0.02 0.00 0.00 55.97 56.31 1ib7 s LYS 28 Cb -0.01 0.28 -0.10 0.00 -0.52 0.00 0.00 37.83 37.48 1ib7 s LYS 28 CO 0.74 -0.35 1.25 0.14 -0.92 0.00 0.00 175.35 176.21 1ib7 s VAL 29 N 2.92 2.93 -0.29 3.17 -7.23 -0.94 0.74 120.40 121.69 1ib7 s VAL 29 Ca 0.07 0.91 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 1ib7 s VAL 29 Cb -0.11 -3.57 0.06 0.00 0.56 0.00 0.00 36.38 33.31 1ib7 s VAL 29 CO -0.15 0.20 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.51 1ib7 s TYR 30 N -1.17 3.32 -1.23 2.82 1.51 -0.35 -4.27 117.35 117.98 1ib7 s TYR 30 Ca 0.49 -2.15 -0.17 0.00 -1.01 0.00 0.00 57.07 54.23 1ib7 s TYR 30 Cb -0.37 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1ib7 s TYR 30 CO 0.49 -0.85 2.11 -3.47 -1.11 0.00 0.00 175.55 172.71 1ib7 n ASP 31 N 4.52 3.47 -2.05 2.29 -0.08 -0.70 -3.37 116.55 120.64 1ib7 n ASP 31 Ca -0.12 -2.79 -0.19 0.00 -1.51 0.00 0.00 54.79 50.18 1ib7 n ASP 31 Cb 0.43 -1.49 0.01 0.00 2.34 0.00 0.00 41.12 42.41 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 6.80 6.47 0.15 -2.67 -0.00 -1.15 -4.51 117.00 122.09 1ib7 n LEU 32 Ca 0.51 -3.51 -0.14 0.00 -0.00 0.00 0.00 56.01 52.87 1ib7 n LEU 32 Cb 0.40 -1.11 -0.08 0.00 -0.00 0.00 0.00 43.42 42.63 1ib7 n LEU 32 CO 0.94 1.37 0.70 0.74 -0.00 0.00 0.00 177.39 181.13 1ib7 h THR 33 N 1.27 0.78 -0.68 1.47 2.02 -1.84 0.71 112.91 116.64 1ib7 h THR 33 Ca 0.32 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 1ib7 h THR 33 Cb 0.88 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1ib7 h THR 33 CO 0.79 0.06 0.12 0.11 0.37 0.00 0.00 175.52 176.97 1ib7 h LYS 34 N -0.50 1.11 -0.73 6.66 6.56 -1.90 -1.77 116.57 126.00 1ib7 h LYS 34 Ca -0.04 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 1ib7 h LYS 34 Cb 0.37 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1ib7 h LYS 34 CO 0.06 1.01 0.00 0.98 -2.06 0.00 0.00 179.45 179.44 1ib7 n TYR 35 N -4.21 0.93 -0.04 -1.35 9.36 -1.13 -4.06 117.16 116.67 1ib7 n TYR 35 Ca 0.05 -0.33 -0.14 0.00 3.32 0.00 0.00 57.90 60.80 1ib7 n TYR 35 Cb 0.29 -0.26 -0.11 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 1.96 0.03 -0.16 2.98 7.12 0.14 -2.35 115.31 125.02 1ib7 h LEU 36 Ca 0.00 -0.69 0.00 0.00 0.13 0.00 0.00 57.88 57.32 1ib7 h LEU 36 Cb 1.11 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1ib7 h LEU 36 CO 0.20 0.72 -0.41 -1.84 -0.13 0.00 0.00 178.44 176.98 1ib7 n GLU 37 N -4.73 0.28 0.12 1.25 0.28 -1.26 -3.63 120.64 112.95 1ib7 n GLU 37 Ca -0.09 -0.16 0.07 0.00 -0.16 0.00 0.00 57.16 56.81 1ib7 n GLU 37 Cb 0.36 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.75 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 0.40 0.00 -6.27 3.44 4.22 -1.70 -3.47 114.58 111.20 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 29.79 1ib7 h GLU 38 CO 0.00 0.17 0.69 1.58 -2.18 0.00 0.00 179.01 179.28 1ib7 n HIS 39 N -2.93 1.86 0.11 0.92 -0.00 -0.89 -4.85 115.22 109.45 1ib7 n HIS 39 Ca -0.01 0.49 -0.03 0.00 0.46 0.00 0.00 57.72 58.63 1ib7 n HIS 39 Cb 0.66 -2.43 0.07 0.00 -0.12 0.00 0.00 29.99 28.16 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 5.96 0.01 0.14 1.57 0.13 -1.91 -3.35 132.00 134.55 1ib7 h PRO 40 Ca -0.47 -0.01 -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 32.45 1ib7 h PRO 40 CO 0.86 0.76 -0.07 0.78 -0.23 0.00 0.00 178.00 180.10 1ib7 h GLY 41 N 2.25 -0.20 -4.92 1.56 0.00 -1.99 -3.48 103.07 96.28 1ib7 h GLY 41 Ca -0.01 0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.55 1ib7 h GLY 41 CO 0.10 -0.07 0.74 -0.32 0.00 0.00 0.00 176.54 176.99 1ib7 s GLY 42 N -1.47 -0.03 0.14 4.60 0.00 -1.26 -5.03 107.32 104.28 1ib7 s GLY 42 Ca -0.03 2.61 0.15 0.00 0.00 0.00 0.00 44.72 47.45 1ib7 s GLY 42 CO 0.08 1.25 1.09 1.05 0.00 0.00 0.00 173.10 176.58 1ib7 h GLU 43 N 2.58 0.00 0.07 2.90 4.11 -1.81 -3.35 114.58 119.08 1ib7 h GLU 43 Ca -0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 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 0.24 0.43 -0.03 0.93 0.07 0.00 0.00 179.01 180.65 1ib7 h GLU 44 N 0.00 -0.09 -1.85 1.06 4.39 -1.96 -2.11 114.58 114.03 1ib7 h GLU 44 Ca -0.09 0.01 0.54 0.00 0.34 0.00 0.00 59.36 60.15 1ib7 h GLU 44 Cb 1.54 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.13 1ib7 h GLU 44 CO 0.06 0.40 1.40 1.55 -1.16 0.00 0.00 179.01 181.26 1ib7 n VAL 45 N -4.78 0.00 -0.02 3.13 3.14 -1.26 0.25 118.33 118.78 1ib7 n VAL 45 Ca -0.06 1.46 -0.01 0.00 -2.96 0.00 0.00 64.34 62.77 1ib7 n VAL 45 Cb 0.26 -2.46 -0.00 0.00 -1.06 0.00 0.00 33.84 30.58 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 0.01 6.55 3.38 -1.69 -3.33 115.31 120.23 1ib7 h LEU 46 Ca 0.88 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.88 1ib7 h LEU 46 Cb 3.68 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 44.38 1ib7 h LEU 46 CO -0.01 0.26 -0.30 0.03 0.09 0.00 0.00 178.44 178.51 1ib7 h ARG 47 N -0.42 -0.44 -0.79 1.13 3.08 -0.08 1.33 114.38 118.19 1ib7 h ARG 47 Ca 0.00 0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.33 1ib7 h ARG 47 Cb 0.10 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 30.10 1ib7 h ARG 47 CO 0.00 -0.29 0.12 -1.91 -1.07 0.00 0.00 179.97 176.82 1ib7 n GLU 48 N -5.40 -0.06 -2.57 0.04 2.13 0.69 -0.23 120.64 115.24 1ib7 n GLU 48 Ca -0.05 1.16 -0.16 0.00 0.66 0.00 0.00 57.16 58.77 1ib7 n GLU 48 Cb 0.31 -1.90 0.02 0.00 0.27 0.00 0.00 31.44 30.14 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 -5.03 2.16 0.00 5.31 10.64 -0.56 -4.94 117.38 124.96 1ib7 n GLN 49 Ca 0.22 -3.79 0.00 0.00 -1.83 0.00 0.00 57.00 51.60 1ib7 n GLN 49 Cb 0.72 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 -0.28 0.00 -0.53 2.61 0.00 0.44 -3.95 120.51 118.80 1ib7 n ALA 50 Ca 0.22 0.00 0.43 0.00 0.00 0.00 0.00 53.44 54.09 1ib7 n ALA 50 Cb 0.76 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.92 1ib7 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib7 n GLY 51 N 1.80 -0.86 0.00 0.00 0.00 -0.19 -3.82 105.19 102.12 1ib7 n GLY 51 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1ib7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ib7 n GLY 52 N -1.63 -3.58 2.86 -0.02 0.00 -1.25 -4.48 105.19 97.08 1ib7 n GLY 52 Ca 0.40 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.02 3.29 -0.23 1.61 -4.77 -1.26 -3.41 116.67 109.88 1ib7 s ASP 53 Ca 0.00 -0.93 0.13 0.00 -3.30 0.00 0.00 52.55 48.45 1ib7 s ASP 53 Cb 0.00 -0.93 0.48 0.00 -1.09 0.00 0.00 42.92 41.39 1ib7 s ASP 53 CO 0.00 -0.24 1.40 0.00 0.70 0.00 0.00 175.17 177.02 1ib7 n ALA 54 N 4.84 3.60 0.40 2.11 0.00 -1.24 -4.74 120.51 125.49 1ib7 n ALA 54 Ca -0.11 -2.82 -0.19 0.00 0.00 0.00 0.00 53.44 50.32 1ib7 n ALA 54 Cb 0.46 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 1.14 0.00 -0.44 0.00 2.02 -1.93 0.38 112.91 114.08 1ib7 h THR 55 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1ib7 h THR 55 Cb 1.47 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1ib7 h THR 55 CO 0.27 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 176.00 1ib7 h GLU 56 N -1.16 0.66 0.00 6.66 4.39 -1.92 0.38 114.58 123.60 1ib7 h GLU 56 Ca -0.10 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1ib7 h GLU 56 Cb 0.94 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1ib7 h GLU 56 CO 0.06 0.61 0.00 -0.91 -1.16 0.00 0.00 179.01 177.61 1ib7 h ASN 57 N 0.57 0.00 0.09 1.42 2.35 -1.83 1.91 115.58 120.09 1ib7 h ASN 57 Ca 0.15 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.52 1ib7 h ASN 57 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1ib7 h ASN 57 CO -0.01 0.00 -2.14 0.33 -1.65 0.00 0.00 177.43 173.96 1ib7 n PHE 58 N -3.06 0.89 0.09 1.19 -0.00 0.13 -3.78 117.46 112.92 1ib7 n PHE 58 Ca -0.03 0.19 -0.18 0.00 -0.00 0.00 0.00 57.45 57.43 1ib7 n PHE 58 Cb 0.07 -1.12 -0.11 0.00 -0.00 0.00 0.00 39.48 38.33 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 0.48 -0.70 -4.13 5.08 0.74 -3.01 114.58 113.08 1ib7 h GLU 59 Ca -0.47 -0.64 0.06 0.00 -1.00 0.00 0.00 59.36 57.31 1ib7 h GLU 59 Cb 2.00 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 31.40 1ib7 h GLU 59 CO 0.04 1.27 0.40 0.22 -1.00 0.00 0.00 179.01 179.94 1ib7 h ASP 60 N 0.21 0.60 0.83 1.42 1.82 0.28 0.40 116.42 121.99 1ib7 h ASP 60 Ca -0.15 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1ib7 h ASP 60 Cb 1.85 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.76 1ib7 h ASP 60 CO 0.21 0.39 0.00 -0.37 -1.61 0.00 0.00 179.24 177.86 1ib7 h VAL 61 N 0.74 0.00 -5.27 2.25 -1.51 -1.65 -3.48 116.25 107.33 1ib7 h VAL 61 Ca 0.31 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 1ib7 h VAL 61 Cb 0.18 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1ib7 h VAL 61 CO -0.18 0.00 -0.79 0.61 -1.23 0.00 0.00 177.57 175.98 1ib7 n GLY 62 N -0.00 -2.79 3.76 5.19 0.00 0.14 -4.92 105.19 106.57 1ib7 n GLY 62 Ca 0.01 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 -2.04 3.27 0.73 1.61 3.76 -1.23 -5.02 115.29 116.37 1ib7 s HIS 63 Ca 0.12 1.53 -0.09 0.00 -0.15 0.00 0.00 55.06 56.47 1ib7 s HIS 63 Cb -0.03 -3.51 0.06 0.00 1.11 0.00 0.00 32.58 30.20 1ib7 s HIS 63 CO 0.76 -1.32 1.06 -1.54 -0.85 0.00 0.00 174.74 172.86 1ib7 s SER 64 N -0.62 4.85 0.28 1.40 1.04 -1.26 -4.90 113.70 114.49 1ib7 s SER 64 Ca 0.47 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.57 1ib7 s SER 64 Cb -0.36 -1.29 0.65 0.00 0.10 0.00 0.00 66.02 65.11 1ib7 s SER 64 CO 0.48 -1.62 1.74 0.74 0.98 0.00 0.00 173.24 175.56 1ib7 h THR 65 N -0.71 0.63 -0.99 2.02 2.02 -1.99 0.29 112.91 114.17 1ib7 h THR 65 Ca -0.45 -0.19 0.31 0.00 0.77 0.00 0.00 66.41 66.84 1ib7 h THR 65 Cb 1.31 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 67.59 1ib7 h THR 65 CO 0.62 0.10 0.55 0.44 0.37 0.00 0.00 175.52 177.61 1ib7 h ASP 66 N 0.56 0.50 -0.11 4.18 5.19 -2.01 0.66 116.42 125.39 1ib7 h ASP 66 Ca 0.52 0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 57.09 1ib7 h ASP 66 Cb 0.86 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1ib7 h ASP 66 CO -0.43 -0.11 -0.03 0.00 -3.12 0.00 0.00 179.24 175.55 1ib7 h ALA 67 N 1.83 0.15 -0.54 3.45 0.00 -0.78 -2.49 119.26 120.88 1ib7 h ALA 67 Ca 0.71 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.55 1ib7 h ALA 67 Cb 1.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1ib7 h ALA 67 CO -0.59 -0.10 0.70 0.00 0.00 0.00 0.00 179.25 179.25 1ib7 h ARG 68 N -0.11 0.00 0.10 0.00 2.47 0.55 0.68 114.38 118.08 1ib7 h ARG 68 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1ib7 h ARG 68 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1ib7 h ARG 68 CO 0.01 0.00 -0.05 1.49 0.56 0.00 0.00 179.97 181.98 1ib7 h GLU 69 N 0.00 -0.14 0.60 0.04 4.57 -0.85 -3.16 114.58 115.65 1ib7 h GLU 69 Ca 0.26 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1ib7 h GLU 69 Cb 1.65 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.27 1ib7 h GLU 69 CO -0.00 0.28 -0.29 -0.07 -1.18 0.00 0.00 179.01 177.75 1ib7 h LEU 70 N -0.95 -0.69 -0.59 1.64 -0.00 -0.66 -1.99 115.31 112.07 1ib7 h LEU 70 Ca -0.01 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.97 1ib7 h LEU 70 Cb 0.48 0.18 -0.09 0.00 -0.00 0.00 0.00 40.66 41.23 1ib7 h LEU 70 CO 0.02 -0.35 -0.26 -1.54 -0.00 0.00 0.00 178.44 176.31 1ib7 n SER 71 N -4.94 -0.45 0.15 -0.43 3.41 0.21 0.24 113.62 111.81 1ib7 n SER 71 Ca -0.10 1.03 -0.14 0.00 -0.26 0.00 0.00 58.87 59.40 1ib7 n SER 71 Cb 0.32 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1ib7 n SER 71 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ib7 h LYS 72 N 0.00 -0.39 -0.22 4.33 3.64 -1.55 -1.14 116.57 121.24 1ib7 h LYS 72 Ca 0.17 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1ib7 h LYS 72 Cb 0.32 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1ib7 h LYS 72 CO -0.57 -0.26 0.17 1.15 -2.27 0.00 0.00 179.45 177.67 1ib7 h THR 73 N -0.40 0.82 -0.99 1.00 2.02 0.34 -0.47 112.91 115.23 1ib7 h THR 73 Ca -0.01 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.51 1ib7 h THR 73 Cb 0.36 0.88 -0.29 0.00 -1.74 0.00 0.00 68.15 67.36 1ib7 h THR 73 CO -0.01 0.00 0.85 -1.22 0.37 0.00 0.00 175.52 175.51 1ib7 n TYR 74 N -4.37 3.20 -4.92 3.16 4.02 0.64 -4.93 117.16 113.97 1ib7 n TYR 74 Ca 0.02 -2.91 -0.33 0.00 -0.01 0.00 0.00 57.90 54.68 1ib7 n TYR 74 Cb 0.31 -1.40 -0.13 0.00 -0.02 0.00 0.00 39.34 38.09 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 -4.65 2.98 0.00 -0.72 2.07 -0.19 -1.72 121.20 118.98 1ib7 s ILE 75 Ca 0.64 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1ib7 s ILE 75 Cb 0.50 -2.16 0.00 0.00 0.13 0.00 0.00 42.46 40.93 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 2.30 0.00 -3.19 2.00 -0.00 -1.26 -4.96 119.36 114.25 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 -0.48 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 3.02 -1.02 3.66 3.28 0.00 -1.26 -4.58 105.19 108.30 1ib7 n GLY 77 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.38 2.10 -0.08 1.61 -1.05 0.21 -2.23 118.70 118.88 1ib7 s GLU 78 Ca 0.00 -1.84 -0.07 0.00 -0.15 0.00 0.00 54.97 52.91 1ib7 s GLU 78 Cb 0.00 -1.89 -0.04 0.00 -0.44 0.00 0.00 34.13 31.75 1ib7 s GLU 78 CO 0.00 0.03 0.19 -0.48 0.95 0.00 0.00 175.26 175.94 1ib7 s LEU 79 N -3.77 4.39 -0.47 1.83 -0.00 -1.26 -0.89 118.68 118.52 1ib7 s LEU 79 Ca 0.37 0.51 -0.42 0.00 -0.00 0.00 0.00 54.13 54.59 1ib7 s LEU 79 Cb 0.03 -2.27 -0.18 0.00 -0.00 0.00 0.00 46.19 43.77 1ib7 s LEU 79 CO 0.20 0.36 1.86 1.57 -0.00 0.00 0.00 176.35 180.35 1ib7 n HIS 80 N 1.72 1.25 1.48 3.48 -0.00 0.51 -4.71 115.22 118.95 1ib7 n HIS 80 Ca -0.17 0.82 0.12 0.00 -0.00 0.00 0.00 57.72 58.49 1ib7 n HIS 80 Cb 0.54 -2.13 0.71 0.00 -0.00 0.00 0.00 29.99 29.11 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 6.10 0.73 0.06 1.57 -0.04 -1.26 -1.77 135.00 140.39 1ib7 n PRO 81 Ca 0.45 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.71 1ib7 n PRO 81 Cb -0.04 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.78 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 0.59 0.42 3.54 3.58 -1.98 -3.30 116.42 119.28 1ib7 h ASP 82 Ca 0.00 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.55 1ib7 h ASP 82 Cb 0.01 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1ib7 h ASP 82 CO 0.00 1.44 -0.94 0.47 -2.88 0.00 0.00 179.24 177.34 1ib7 n ASP 83 N -4.04 0.63 -0.16 2.28 8.00 -1.14 -4.04 116.55 118.08 1ib7 n ASP 83 Ca -0.14 -0.26 0.01 0.00 0.71 0.00 0.00 54.79 55.11 1ib7 n ASP 83 Cb 0.86 0.71 0.29 0.00 -0.02 0.00 0.00 41.12 42.97 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 0.88 -0.43 -1.24 1.12 -1.43 0.15 114.38 113.44 1ib7 h ARG 84 Ca 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1ib7 h ARG 84 Cb 0.68 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1ib7 h ARG 84 CO 0.00 0.58 0.00 0.45 -3.11 0.00 0.00 179.97 177.89 1ib7 n SER 85 N -4.43 2.15 -2.06 -3.80 2.88 -1.25 -3.78 113.62 103.33 1ib7 n SER 85 Ca 0.07 -2.06 -0.12 0.00 -1.33 0.00 0.00 58.87 55.43 1ib7 n SER 85 Cb 0.04 -0.29 0.26 0.00 -0.75 0.00 0.00 64.21 63.46 1ib7 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ib7 n LYS 86 N 0.53 3.20 -0.09 -1.46 4.76 0.53 -4.34 118.16 121.28 1ib7 n LYS 86 Ca 0.12 -2.96 -0.11 0.00 -2.87 0.00 0.00 58.31 52.50 1ib7 n LYS 86 Cb 0.37 -2.18 -0.04 0.00 -1.84 0.00 0.00 35.03 31.34 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ib7 n ILE 87 N -0.44 1.50 1.18 -0.18 -0.00 -1.25 -5.08 119.36 115.10 1ib7 n ILE 87 Ca 0.46 0.09 0.09 0.00 -0.00 0.00 0.00 62.75 63.40 1ib7 n ILE 87 Cb 1.46 -2.31 0.56 0.00 -0.00 0.00 0.00 39.64 39.36 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55