#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rl8 s GLN 2 N 0.00 3.35 -0.18 0.54 0.74 -1.26 -5.08 119.66 117.77 1rl8 s GLN 2 Ca 0.00 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 54.88 1rl8 s GLN 2 Cb 0.00 -2.79 0.04 0.00 1.10 0.00 0.00 33.01 31.36 1rl8 s GLN 2 CO 0.00 0.38 -0.12 0.42 -0.55 0.00 0.00 175.29 175.43 1rl8 s ILE 3 N -0.04 1.61 0.69 -2.34 1.01 -1.26 -5.13 121.20 115.74 1rl8 s ILE 3 Ca 0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 1rl8 s ILE 3 Cb -0.13 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.74 1rl8 s ILE 3 CO 0.03 0.27 1.04 0.42 0.00 0.00 0.00 174.94 176.70 1rl8 s THR 4 N 1.43 3.12 -0.28 2.92 -4.23 -1.26 -5.05 115.64 112.29 1rl8 s THR 4 Ca 0.01 0.15 0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1rl8 s THR 4 Cb -0.15 -3.32 0.59 0.00 1.34 0.00 0.00 72.50 70.96 1rl8 s THR 4 CO -0.09 -0.39 1.58 0.18 -0.54 0.00 0.00 174.62 175.37 1rl8 n LEU 5 N -2.92 4.81 0.28 4.79 4.77 -1.26 -4.61 117.00 122.87 1rl8 n LEU 5 Ca 0.07 -3.40 0.17 0.00 -0.03 0.00 0.00 56.01 52.81 1rl8 n LEU 5 Cb 0.58 -0.66 0.75 0.00 -2.33 0.00 0.00 43.42 41.77 1rl8 n LEU 5 CO 0.55 0.95 1.00 -0.50 -1.33 0.00 0.00 177.39 178.06 1rl8 h TRP 6 N 1.64 0.00 -2.81 -1.77 4.06 -2.07 -3.43 115.95 111.58 1rl8 h TRP 6 Ca 0.21 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.67 1rl8 h TRP 6 Cb 1.89 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.90 1rl8 h TRP 6 CO 0.99 0.05 -0.74 -0.65 -3.56 0.00 0.00 178.44 174.53 1rl8 s GLN 7 N -3.82 1.39 0.21 0.49 -1.52 -1.26 -5.10 119.66 110.04 1rl8 s GLN 7 Ca -0.01 -1.60 -0.32 0.00 -1.95 0.00 0.00 55.36 51.48 1rl8 s GLN 7 Cb 0.10 -1.27 -0.13 0.00 -0.22 0.00 0.00 33.01 31.50 1rl8 s GLN 7 CO 0.54 0.22 1.59 0.54 -0.25 0.00 0.00 175.29 177.93 1rl8 n ARG 8 N -0.34 2.38 -1.06 2.91 1.74 -1.26 -4.84 116.66 116.18 1rl8 n ARG 8 Ca -0.08 0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 57.54 1rl8 n ARG 8 Cb 0.60 -2.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 1rl8 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1rl8 n PRO 9 N 3.13 2.75 -2.81 5.56 -0.04 -1.26 -4.93 135.00 137.39 1rl8 n PRO 9 Ca 0.14 -1.86 -0.40 0.00 -0.04 0.00 0.00 63.50 61.34 1rl8 n PRO 9 Cb 0.32 -2.68 -0.05 0.00 -0.04 0.00 0.00 33.50 31.05 1rl8 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rl8 s LEU 10 N 0.34 4.54 0.20 1.53 1.43 -1.26 -1.38 118.68 124.09 1rl8 s LEU 10 Ca 0.53 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1rl8 s LEU 10 Cb 0.14 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 1rl8 s LEU 10 CO -0.04 0.04 0.07 0.68 0.23 0.00 0.00 176.35 177.33 1rl8 s VAL 11 N -0.42 0.42 -0.09 -1.59 -7.23 0.00 -4.93 120.40 106.55 1rl8 s VAL 11 Ca 0.43 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1rl8 s VAL 11 Cb -0.23 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1rl8 s VAL 11 CO 0.29 -0.21 0.33 -0.89 -0.31 0.00 0.00 175.10 174.31 1rl8 s THR 12 N -3.85 5.22 0.07 5.32 2.01 -1.26 -1.05 115.64 122.10 1rl8 s THR 12 Ca 0.32 0.64 0.06 0.00 0.31 0.00 0.00 61.69 63.02 1rl8 s THR 12 Cb 0.07 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1rl8 s THR 12 CO 0.09 0.50 -0.16 0.27 -0.69 0.00 0.00 174.62 174.63 1rl8 s ILE 13 N -0.38 1.25 -0.11 1.82 -4.36 0.01 -0.46 121.20 118.97 1rl8 s ILE 13 Ca 0.20 -1.32 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 1rl8 s ILE 13 Cb -0.14 -1.18 0.00 0.00 1.25 0.00 0.00 42.46 42.39 1rl8 s ILE 13 CO 0.08 -0.16 -0.23 -0.75 0.24 0.00 0.00 174.94 174.13 1rl8 s LYS 14 N -1.71 3.07 -0.18 0.37 2.20 -0.24 -1.38 119.74 121.87 1rl8 s LYS 14 Ca 0.00 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.57 1rl8 s LYS 14 Cb -0.10 -2.36 0.05 0.00 -1.51 0.00 0.00 37.83 33.91 1rl8 s LYS 14 CO 0.03 0.13 0.52 -1.50 -0.36 0.00 0.00 175.35 174.16 1rl8 s ILE 15 N 0.47 0.00 -1.65 5.43 2.07 0.11 -1.42 121.20 126.22 1rl8 s ILE 15 Ca -0.15 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1rl8 s ILE 15 Cb -0.17 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.69 1rl8 s ILE 15 CO 0.06 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1rl8 n GLY 16 N 2.66 0.03 3.02 1.50 0.00 -1.26 -0.67 105.19 110.48 1rl8 n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1rl8 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rl8 n GLY 17 N -0.81 2.42 3.83 -0.02 0.00 -1.26 -5.00 105.19 104.35 1rl8 n GLY 17 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1rl8 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rl8 s GLN 18 N -0.00 3.05 -0.16 1.61 -0.21 0.16 -5.10 119.66 119.01 1rl8 s GLN 18 Ca 0.00 -0.69 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 1rl8 s GLN 18 Cb 0.00 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 1rl8 s GLN 18 CO 0.00 0.54 0.11 -0.51 -2.12 0.00 0.00 175.29 173.31 1rl8 s LEU 19 N -2.73 4.16 0.18 2.90 1.43 -1.26 -0.71 118.68 122.64 1rl8 s LEU 19 Ca 0.31 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1rl8 s LEU 19 Cb -0.12 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1rl8 s LEU 19 CO 0.24 0.28 0.25 -0.54 0.23 0.00 0.00 176.35 176.80 1rl8 s LYS 20 N -0.23 1.18 0.02 1.70 1.02 -0.48 -5.01 119.74 117.94 1rl8 s LYS 20 Ca 0.10 -1.31 0.04 0.00 0.02 0.00 0.00 55.97 54.82 1rl8 s LYS 20 Cb -0.12 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 1rl8 s LYS 20 CO 0.01 -0.42 -0.08 -1.21 -0.92 0.00 0.00 175.35 172.73 1rl8 s GLU 21 N -4.02 2.44 0.12 1.68 2.02 -1.26 -0.81 118.70 118.87 1rl8 s GLU 21 Ca 0.23 -0.79 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 1rl8 s GLU 21 Cb 0.04 -2.44 -0.00 0.00 0.10 0.00 0.00 34.13 31.83 1rl8 s GLU 21 CO 0.04 0.58 0.24 0.00 0.02 0.00 0.00 175.26 176.14 1rl8 s ALA 22 N -1.03 -0.20 -0.13 5.21 0.00 -0.22 -4.64 121.76 120.75 1rl8 s ALA 22 Ca 0.18 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 1rl8 s ALA 22 Cb -0.11 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1rl8 s ALA 22 CO 0.09 -0.57 0.38 -1.17 0.00 0.00 0.00 175.76 174.48 1rl8 s LEU 23 N -2.90 4.28 -0.39 0.00 2.96 0.40 -0.82 118.68 122.22 1rl8 s LEU 23 Ca 0.09 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.39 1rl8 s LEU 23 Cb 0.04 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.23 1rl8 s LEU 23 CO -0.07 0.09 1.18 -0.76 -1.32 0.00 0.00 176.35 175.46 1rl8 s LEU 24 N 0.35 3.77 -0.46 -0.68 1.43 -0.48 -0.28 118.68 122.34 1rl8 s LEU 24 Ca 0.21 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1rl8 s LEU 24 Cb -0.14 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.66 1rl8 s LEU 24 CO 0.07 -1.12 0.21 -0.62 0.23 0.00 0.00 176.35 175.12 1rl8 s ASP 25 N 2.41 4.31 0.62 2.29 -1.08 -0.51 -4.80 116.67 119.91 1rl8 s ASP 25 Ca 0.50 -2.74 0.42 0.00 -0.52 0.00 0.00 52.55 50.20 1rl8 s ASP 25 Cb -0.11 -1.53 2.23 0.00 -1.46 0.00 0.00 42.92 42.04 1rl8 s ASP 25 CO 0.25 -0.27 2.27 0.71 0.52 0.00 0.00 175.17 178.65 1rl8 h THR 26 N 5.73 0.00 -0.07 1.71 1.35 -1.93 -1.35 112.91 118.34 1rl8 h THR 26 Ca -0.06 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1rl8 h THR 26 Cb 0.93 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1rl8 h THR 26 CO 0.62 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1rl8 n GLY 27 N -1.02 -0.37 3.34 5.82 0.00 -1.26 -4.81 105.19 106.89 1rl8 n GLY 27 Ca -0.03 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1rl8 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl8 s ALA 28 N -1.91 2.64 0.21 4.61 0.00 -0.51 -4.99 121.76 121.82 1rl8 s ALA 28 Ca 0.32 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1rl8 s ALA 28 Cb 0.16 -1.32 0.16 0.00 0.00 0.00 0.00 23.12 22.12 1rl8 s ALA 28 CO 0.25 0.05 1.59 -0.44 0.00 0.00 0.00 175.76 177.21 1rl8 h ASP 29 N 7.11 0.75 -1.81 0.00 3.32 -1.87 0.21 116.42 124.13 1rl8 h ASP 29 Ca -0.31 -0.31 -0.62 0.00 0.02 0.00 0.00 57.03 55.82 1rl8 h ASP 29 Cb 1.20 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 1rl8 h ASP 29 CO 0.57 1.01 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.69 1rl8 s ASP 30 N -6.81 3.74 -0.22 6.45 1.01 -1.26 -2.81 116.67 116.77 1rl8 s ASP 30 Ca -0.09 -1.36 -0.08 0.00 0.71 0.00 0.00 52.55 51.73 1rl8 s ASP 30 Cb 0.12 -0.37 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1rl8 s ASP 30 CO 0.84 -0.45 0.08 -0.89 0.21 0.00 0.00 175.17 174.96 1rl8 s THR 31 N -2.76 4.64 -0.08 -1.27 2.01 -1.26 -3.27 115.64 113.66 1rl8 s THR 31 Ca 0.35 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1rl8 s THR 31 Cb 0.10 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1rl8 s THR 31 CO 0.18 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 1rl8 s VAL 32 N 1.07 1.17 0.20 3.82 1.01 -0.71 -1.39 120.40 125.57 1rl8 s VAL 32 Ca 0.05 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.66 1rl8 s VAL 32 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1rl8 s VAL 32 CO 0.03 0.37 -0.23 -0.76 0.00 0.00 0.00 175.10 174.51 1rl8 s LEU 33 N 0.82 2.45 0.92 3.92 1.02 0.46 -1.44 118.68 126.83 1rl8 s LEU 33 Ca -0.12 -0.88 -0.11 0.00 0.02 0.00 0.00 54.13 53.05 1rl8 s LEU 33 Cb -0.15 -1.13 0.15 0.00 0.02 0.00 0.00 46.19 45.07 1rl8 s LEU 33 CO 0.02 0.10 1.12 -1.61 0.02 0.00 0.00 176.35 176.00 1rl8 s GLU 34 N -2.75 0.96 -0.40 1.70 2.02 -1.26 -0.99 118.70 117.98 1rl8 s GLU 34 Ca 0.21 1.34 -0.42 0.00 0.02 0.00 0.00 54.97 56.13 1rl8 s GLU 34 Cb -0.07 -1.74 -0.16 0.00 0.10 0.00 0.00 34.13 32.25 1rl8 s GLU 34 CO 0.10 -2.60 1.93 0.39 0.02 0.00 0.00 175.26 175.10 1rl8 n GLU 35 N -4.19 0.58 -4.00 1.61 -0.58 -1.04 -4.46 120.64 108.56 1rl8 n GLU 35 Ca 0.10 0.19 -0.10 0.00 -0.42 0.00 0.00 57.16 56.93 1rl8 n GLU 35 Cb 0.53 -1.89 -0.07 0.00 -0.57 0.00 0.00 31.44 29.44 1rl8 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rl8 s MET 36 N 4.75 1.27 -0.48 3.49 0.23 -1.26 -5.02 119.30 122.28 1rl8 s MET 36 Ca 1.08 -1.25 -0.24 0.00 -1.03 0.00 0.00 55.69 54.25 1rl8 s MET 36 Cb -1.23 0.39 0.03 0.00 -1.53 0.00 0.00 34.83 32.49 1rl8 s MET 36 CO 0.65 -0.48 0.86 -1.12 -2.03 0.00 0.00 175.02 172.90 1rl8 s SER 37 N -3.01 6.42 0.05 -1.18 0.01 -1.26 -5.04 113.70 109.69 1rl8 s SER 37 Ca 0.22 -0.12 0.08 0.00 1.31 0.00 0.00 55.95 57.43 1rl8 s SER 37 Cb 0.03 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1rl8 s SER 37 CO 0.04 -1.03 -0.21 -0.76 0.41 0.00 0.00 173.24 171.69 1rl8 s LEU 38 N 3.56 2.19 0.45 2.44 1.43 -1.26 -4.83 118.68 122.66 1rl8 s LEU 38 Ca 0.32 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1rl8 s LEU 38 Cb -0.12 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1rl8 s LEU 38 CO 0.23 0.15 0.73 -2.16 0.23 0.00 0.00 176.35 175.53 1rl8 s PRO 39 N -1.30 3.50 0.10 1.29 0.04 -1.26 -5.00 135.00 132.37 1rl8 s PRO 39 Ca 0.08 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1rl8 s PRO 39 Cb -0.09 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1rl8 s PRO 39 CO 0.02 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1rl8 n GLY 40 N -2.15 -1.72 3.94 0.56 0.00 -1.26 -5.01 105.19 99.54 1rl8 n GLY 40 Ca -0.01 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 1rl8 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl8 s ALA 41 N -1.91 3.77 -0.26 4.61 0.00 -1.26 -5.13 121.76 121.58 1rl8 s ALA 41 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 1rl8 s ALA 41 Cb 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 23.12 21.16 1rl8 s ALA 41 CO 0.00 0.16 0.67 1.67 0.00 0.00 0.00 175.76 178.26 1rl8 s TRP 42 N -2.12 -0.83 0.02 0.00 1.48 -1.26 -4.45 118.94 111.78 1rl8 s TRP 42 Ca 0.39 1.88 -0.06 0.00 -1.06 0.00 0.00 56.10 57.25 1rl8 s TRP 42 Cb -0.10 0.36 -0.05 0.00 -1.16 0.00 0.00 33.47 32.52 1rl8 s TRP 42 CO 0.32 -0.40 0.28 0.15 -4.06 0.00 0.00 176.95 173.24 1rl8 s LYS 43 N 0.76 3.58 0.41 3.25 1.02 -0.97 -4.84 119.74 122.95 1rl8 s LYS 43 Ca -0.03 -0.08 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 1rl8 s LYS 43 Cb -0.05 -3.06 -0.08 0.00 -0.52 0.00 0.00 37.83 34.11 1rl8 s LYS 43 CO -0.05 0.63 1.10 -1.25 -0.92 0.00 0.00 175.35 174.86 1rl8 s PRO 44 N -1.84 4.04 0.19 -1.68 0.04 -1.26 -1.37 135.00 133.12 1rl8 s PRO 44 Ca 0.29 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 1rl8 s PRO 44 Cb -0.13 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1rl8 s PRO 44 CO 0.17 -0.28 0.34 0.21 0.04 0.00 0.00 177.00 177.48 1rl8 s LYS 45 N -2.50 1.27 -0.07 4.56 2.20 -0.92 -4.87 119.74 119.42 1rl8 s LYS 45 Ca 0.59 -1.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1rl8 s LYS 45 Cb -0.25 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1rl8 s LYS 45 CO 0.32 -0.49 -0.12 1.41 -0.36 0.00 0.00 175.35 176.11 1rl8 s MET 46 N -3.99 1.73 0.15 4.03 1.75 -1.26 -1.85 119.30 119.86 1rl8 s MET 46 Ca 0.20 -0.42 0.11 0.00 -1.25 0.00 0.00 55.69 54.33 1rl8 s MET 46 Cb 0.02 -1.44 -0.04 0.00 2.84 0.00 0.00 34.83 36.21 1rl8 s MET 46 CO 0.03 0.01 -0.24 0.96 -0.65 0.00 0.00 175.02 175.13 1rl8 s ILE 47 N 0.72 2.41 0.17 10.11 -4.36 -0.62 -4.97 121.20 124.67 1rl8 s ILE 47 Ca -0.13 -1.79 0.10 0.00 -0.26 0.00 0.00 60.65 58.57 1rl8 s ILE 47 Cb -0.16 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 1rl8 s ILE 47 CO 0.03 0.03 -0.22 -0.83 0.24 0.00 0.00 174.94 174.18 1rl8 s GLY 48 N -2.27 1.58 0.00 6.27 0.00 -1.26 -0.20 107.32 111.43 1rl8 s GLY 48 Ca 0.17 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1rl8 s GLY 48 CO 0.08 -1.59 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1rl8 n GLY 49 N 0.37 5.16 0.26 0.20 0.00 0.19 -4.96 105.19 106.41 1rl8 n GLY 49 Ca -0.14 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 1rl8 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rl8 h ILE 50 N 0.00 0.57 0.00 -0.61 2.10 -2.02 -2.98 117.51 114.57 1rl8 h ILE 50 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1rl8 h ILE 50 Cb 0.00 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 1rl8 h ILE 50 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.15 177.69 1rl8 n GLY 51 N -1.29 -0.82 0.00 8.18 0.00 -1.26 -4.99 105.19 105.01 1rl8 n GLY 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1rl8 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rl8 n GLY 52 N 0.45 0.37 3.20 -0.02 0.00 -1.13 -5.11 105.19 102.96 1rl8 n GLY 52 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1rl8 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rl8 s PHE 53 N -0.27 1.09 0.03 1.61 -0.12 -1.26 0.54 117.98 119.60 1rl8 s PHE 53 Ca 0.00 -1.34 -0.02 0.00 -0.05 0.00 0.00 56.93 55.52 1rl8 s PHE 53 Cb 0.00 -0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 41.84 1rl8 s PHE 53 CO 0.00 -0.62 0.00 0.96 -0.05 0.00 0.00 175.22 175.51 1rl8 s ILE 54 N -4.14 0.15 -0.14 -4.49 -4.36 0.72 -4.97 121.20 103.97 1rl8 s ILE 54 Ca 0.36 -1.21 -0.13 0.00 -0.26 0.00 0.00 60.65 59.41 1rl8 s ILE 54 Cb 0.07 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.95 1rl8 s ILE 54 CO 0.10 -0.67 0.28 -0.54 0.24 0.00 0.00 174.94 174.35 1rl8 s LYS 55 N -2.45 4.11 0.30 0.37 1.02 -1.26 -1.59 119.74 120.23 1rl8 s LYS 55 Ca -0.07 0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.05 1rl8 s LYS 55 Cb -0.03 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1rl8 s LYS 55 CO -0.04 0.37 0.25 0.14 -0.92 0.00 0.00 175.35 175.15 1rl8 s VAL 56 N 0.07 0.00 -0.17 3.17 -7.23 -0.77 -4.46 120.40 111.01 1rl8 s VAL 56 Ca 0.17 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1rl8 s VAL 56 Cb -0.13 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1rl8 s VAL 56 CO 0.05 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.59 1rl8 s ARG 57 N -3.62 3.30 -0.30 4.82 0.52 0.38 -2.16 118.95 121.90 1rl8 s ARG 57 Ca 0.40 -0.70 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 1rl8 s ARG 57 Cb 0.03 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 1rl8 s ARG 57 CO 0.23 -0.03 0.68 -1.14 0.02 0.00 0.00 175.30 175.06 1rl8 s GLN 58 N 0.97 3.95 -0.18 3.54 0.74 -0.47 -0.68 119.66 127.54 1rl8 s GLN 58 Ca -0.02 0.43 -0.03 0.00 0.05 0.00 0.00 55.36 55.79 1rl8 s GLN 58 Cb -0.15 -3.72 -0.01 0.00 1.10 0.00 0.00 33.01 30.23 1rl8 s GLN 58 CO -0.01 -0.58 -0.07 0.71 -0.55 0.00 0.00 175.29 174.79 1rl8 s TYR 59 N 2.69 2.93 0.31 1.67 1.51 0.72 -2.30 117.35 124.89 1rl8 s TYR 59 Ca 0.27 -0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 55.57 1rl8 s TYR 59 Cb -0.15 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.66 1rl8 s TYR 59 CO 0.11 -0.32 0.61 -0.51 -1.11 0.00 0.00 175.55 174.34 1rl8 s ASP 60 N 0.85 6.50 -1.62 2.29 1.01 -1.26 -0.63 116.67 123.82 1rl8 s ASP 60 Ca -0.02 0.87 -0.16 0.00 0.71 0.00 0.00 52.55 53.95 1rl8 s ASP 60 Cb -0.15 -2.21 0.12 0.00 1.01 0.00 0.00 42.92 41.69 1rl8 s ASP 60 CO 0.01 -0.23 0.87 0.00 0.21 0.00 0.00 175.17 176.03 1rl8 n GLN 61 N -0.88 -4.29 -2.83 8.23 6.02 -1.05 -4.85 117.38 117.74 1rl8 n GLN 61 Ca -0.00 0.48 -0.39 0.00 -0.01 0.00 0.00 57.00 57.08 1rl8 n GLN 61 Cb 0.54 -5.27 -0.06 0.00 1.02 0.00 0.00 30.24 26.47 1rl8 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rl8 s ILE 62 N -3.31 4.19 0.12 5.09 -1.09 0.20 -4.48 121.20 121.91 1rl8 s ILE 62 Ca 0.68 1.92 -0.23 0.00 -2.23 0.00 0.00 60.65 60.79 1rl8 s ILE 62 Cb -0.36 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.24 1rl8 s ILE 62 CO 0.88 0.44 0.71 -0.22 -1.23 0.00 0.00 174.94 175.52 1rl8 s LEU 63 N -1.33 4.55 -0.02 2.97 2.96 -1.26 -0.90 118.68 125.66 1rl8 s LEU 63 Ca 0.41 1.49 -0.08 0.00 -0.22 0.00 0.00 54.13 55.73 1rl8 s LEU 63 Cb -0.24 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1rl8 s LEU 63 CO 0.29 0.20 0.18 -0.51 -1.32 0.00 0.00 176.35 175.18 1rl8 s ILE 64 N -0.96 0.06 -0.20 6.68 2.07 0.37 -4.48 121.20 124.74 1rl8 s ILE 64 Ca 0.34 -0.48 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1rl8 s ILE 64 Cb -0.22 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 41.99 1rl8 s ILE 64 CO 0.23 -0.27 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.13 1rl8 s GLU 65 N -0.99 2.81 -0.23 3.50 2.12 -0.50 -0.80 118.70 124.61 1rl8 s GLU 65 Ca -0.11 -0.95 -0.06 0.00 0.36 0.00 0.00 54.97 54.21 1rl8 s GLU 65 Cb -0.06 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1rl8 s GLU 65 CO 0.02 -0.30 0.02 0.42 -0.54 0.00 0.00 175.26 174.88 1rl8 s ILE 66 N 1.25 4.00 -0.21 -3.70 1.01 0.28 -1.08 121.20 122.74 1rl8 s ILE 66 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1rl8 s ILE 66 Cb -0.15 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1rl8 s ILE 66 CO -0.11 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.22 1rl8 n GLY 68 N -0.24 1.22 3.75 0.00 0.00 -1.26 -5.04 105.19 103.62 1rl8 n GLY 68 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1rl8 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rl8 s HIS 69 N -2.04 3.29 0.27 1.61 4.02 0.15 -5.07 115.29 117.52 1rl8 s HIS 69 Ca 0.00 0.28 0.00 0.00 1.02 0.00 0.00 55.06 56.36 1rl8 s HIS 69 Cb 0.00 -1.81 -0.04 0.00 -1.02 0.00 0.00 32.58 29.71 1rl8 s HIS 69 CO 0.00 0.55 0.46 0.15 1.02 0.00 0.00 174.74 176.93 1rl8 s LYS 70 N -1.09 3.51 0.04 1.40 1.02 -1.26 1.00 119.74 124.36 1rl8 s LYS 70 Ca 0.16 -0.36 -0.27 0.00 0.02 0.00 0.00 55.97 55.52 1rl8 s LYS 70 Cb -0.12 -2.76 0.08 0.00 -0.52 0.00 0.00 37.83 34.52 1rl8 s LYS 70 CO 0.05 0.29 0.71 0.00 -0.92 0.00 0.00 175.35 175.48 1rl8 s ALA 71 N -2.08 -1.72 -0.04 5.17 0.00 0.02 -4.73 121.76 118.38 1rl8 s ALA 71 Ca 0.39 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.31 1rl8 s ALA 71 Cb -0.10 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1rl8 s ALA 71 CO 0.32 -0.60 -0.19 0.42 0.00 0.00 0.00 175.76 175.71 1rl8 s ILE 72 N -2.69 1.54 -0.82 0.00 1.01 -1.26 -0.48 121.20 118.50 1rl8 s ILE 72 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1rl8 s ILE 72 Cb -0.01 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1rl8 s ILE 72 CO -0.05 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1rl8 n GLY 73 N 3.00 -1.29 3.73 6.18 0.00 -0.08 -4.85 105.19 111.88 1rl8 n GLY 73 Ca -0.17 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1rl8 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rl8 s THR 74 N -2.79 4.28 -0.04 2.61 2.01 -1.26 0.60 115.64 121.05 1rl8 s THR 74 Ca 0.00 1.85 0.02 0.00 0.31 0.00 0.00 61.69 63.87 1rl8 s THR 74 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1rl8 s THR 74 CO 0.00 0.26 -0.07 0.68 -0.69 0.00 0.00 174.62 174.80 1rl8 s VAL 75 N 0.16 0.73 -0.11 3.82 -7.23 0.20 -4.52 120.40 113.45 1rl8 s VAL 75 Ca 0.50 -0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 60.35 1rl8 s VAL 75 Cb -0.26 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1rl8 s VAL 75 CO 0.31 0.26 0.08 -0.76 -0.31 0.00 0.00 175.10 174.68 1rl8 s LEU 76 N 0.64 4.04 -0.04 1.32 1.02 -0.49 -0.20 118.68 124.98 1rl8 s LEU 76 Ca -0.10 0.32 0.06 0.00 0.02 0.00 0.00 54.13 54.43 1rl8 s LEU 76 Cb -0.13 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 1rl8 s LEU 76 CO 0.01 0.38 -0.22 0.68 0.02 0.00 0.00 176.35 177.22 1rl8 s VAL 77 N -0.90 1.81 -0.01 -1.59 -7.23 0.15 -0.41 120.40 112.23 1rl8 s VAL 77 Ca 0.14 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1rl8 s VAL 77 Cb -0.12 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.30 1rl8 s VAL 77 CO 0.03 0.51 0.16 0.61 -0.31 0.00 0.00 175.10 176.10 1rl8 n GLY 78 N 2.88 0.49 2.04 2.32 0.00 -0.17 -0.47 105.19 112.30 1rl8 n GLY 78 Ca -0.17 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1rl8 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rl8 n PRO 79 N -0.12 1.68 -2.43 1.61 -0.04 -1.26 -2.50 135.00 131.94 1rl8 n PRO 79 Ca 0.01 -0.82 -0.41 0.00 -0.04 0.00 0.00 63.50 62.24 1rl8 n PRO 79 Cb 0.07 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 1rl8 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1rl8 s THR 80 N 1.22 3.58 -2.00 0.52 -1.32 -1.26 -4.88 115.64 111.49 1rl8 s THR 80 Ca 0.55 1.42 0.10 0.00 -1.21 0.00 0.00 61.69 62.55 1rl8 s THR 80 Cb 0.26 -3.90 0.30 0.00 -1.51 0.00 0.00 72.50 67.65 1rl8 s THR 80 CO 0.00 0.27 1.10 -2.65 -2.21 0.00 0.00 174.62 171.13 1rl8 n PRO 81 N 2.00 0.58 -3.62 7.08 -0.02 -1.26 -4.62 135.00 135.13 1rl8 n PRO 81 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 1rl8 n PRO 81 Cb 0.45 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 1rl8 n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rl8 s ALA 82 N -2.00 -2.00 -0.03 3.55 0.00 -1.26 -5.12 121.76 114.90 1rl8 s ALA 82 Ca 0.16 1.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 1rl8 s ALA 82 Cb 0.07 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1rl8 s ALA 82 CO 0.12 -0.24 1.08 -0.80 0.00 0.00 0.00 175.76 175.93 1rl8 s ASN 83 N -0.25 7.20 -0.08 0.00 0.01 -1.26 -4.71 114.94 115.84 1rl8 s ASN 83 Ca 0.03 1.73 0.03 0.00 -0.71 0.00 0.00 52.86 53.93 1rl8 s ASN 83 Cb -0.03 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1rl8 s ASN 83 CO -0.05 -0.44 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.31 1rl8 s ILE 84 N 1.61 1.47 -0.31 0.60 1.01 -0.52 -0.45 121.20 124.61 1rl8 s ILE 84 Ca 0.53 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1rl8 s ILE 84 Cb -0.23 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1rl8 s ILE 84 CO 0.24 0.43 0.20 -0.63 0.00 0.00 0.00 174.94 175.17 1rl8 s ILE 85 N 0.62 5.06 0.33 2.92 -1.09 0.62 -1.74 121.20 127.92 1rl8 s ILE 85 Ca -0.15 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1rl8 s ILE 85 Cb -0.16 -3.54 0.06 0.00 -1.58 0.00 0.00 42.46 37.24 1rl8 s ILE 85 CO 0.05 0.09 0.46 0.61 -1.23 0.00 0.00 174.94 174.92 1rl8 n GLY 86 N 5.05 1.02 0.26 6.18 0.00 -1.20 -1.42 105.19 115.08 1rl8 n GLY 86 Ca -0.13 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 43.95 1rl8 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rl8 h ARG 87 N 0.00 0.00 -0.78 1.61 3.08 -0.58 -1.30 114.38 116.40 1rl8 h ARG 87 Ca -0.15 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.97 1rl8 h ARG 87 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1rl8 h ARG 87 CO 0.18 0.07 0.51 -2.95 -1.07 0.00 0.00 179.97 176.71 1rl8 h ASN 88 N 0.00 0.71 0.16 7.04 -1.07 -1.78 -1.37 115.58 119.26 1rl8 h ASN 88 Ca -0.00 0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.04 1rl8 h ASN 88 Cb 0.14 -0.14 -0.06 0.00 -2.07 0.00 0.00 38.32 36.19 1rl8 h ASN 88 CO 0.01 0.44 -2.17 0.18 0.07 0.00 0.00 177.43 175.97 1rl8 n LEU 89 N -4.49 0.28 -0.22 6.14 4.32 -0.88 -4.10 117.00 118.04 1rl8 n LEU 89 Ca 0.12 0.13 -0.03 0.00 -0.02 0.00 0.00 56.01 56.22 1rl8 n LEU 89 Cb 0.25 0.39 0.16 0.00 -1.62 0.00 0.00 43.42 42.61 1rl8 n LEU 89 CO 0.33 0.46 1.09 -0.07 -1.22 0.00 0.00 177.39 177.98 1rl8 h LEU 90 N 0.00 0.93 -0.94 2.23 3.38 -1.02 -1.46 115.31 118.43 1rl8 h LEU 90 Ca -0.46 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1rl8 h LEU 90 Cb 2.17 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 1rl8 h LEU 90 CO 0.05 0.80 0.61 0.71 0.09 0.00 0.00 178.44 180.70 1rl8 h THR 91 N 1.01 1.19 -0.57 0.22 1.35 -1.43 -1.92 112.91 112.77 1rl8 h THR 91 Ca 0.24 -0.42 0.02 0.00 -0.55 0.00 0.00 66.41 65.70 1rl8 h THR 91 Cb 0.13 -0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.39 1rl8 h THR 91 CO -0.03 0.22 0.38 1.56 -0.25 0.00 0.00 175.52 177.41 1rl8 h GLN 92 N 1.22 0.71 -0.46 4.72 4.20 -1.42 -0.59 115.11 123.49 1rl8 h GLN 92 Ca 0.36 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1rl8 h GLN 92 Cb -0.06 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1rl8 h GLN 92 CO -0.10 0.47 0.00 0.44 -0.67 0.00 0.00 178.83 178.97 1rl8 n ILE 93 N -4.46 0.62 -2.24 2.54 -5.35 -1.08 -4.92 119.36 104.47 1rl8 n ILE 93 Ca 0.06 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.83 1rl8 n ILE 93 Cb 0.08 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1rl8 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rl8 n GLY 94 N 1.25 0.07 3.73 3.28 0.00 -0.23 -5.01 105.19 108.28 1rl8 n GLY 94 Ca 0.16 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1rl8 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl8 s THR 96 N 0.13 0.78 -0.11 0.00 -4.23 -1.26 -4.75 115.64 106.20 1rl8 s THR 96 Ca 0.52 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.53 1rl8 s THR 96 Cb -0.30 -1.04 -0.05 0.00 1.34 0.00 0.00 72.50 72.46 1rl8 s THR 96 CO 0.34 -0.46 0.28 -0.76 -0.54 0.00 0.00 174.62 173.47 1rl8 s LEU 97 N -2.03 4.34 -0.03 4.79 1.43 -1.26 -5.05 118.68 120.87 1rl8 s LEU 97 Ca -0.02 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1rl8 s LEU 97 Cb -0.06 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 43.84 1rl8 s LEU 97 CO 0.00 0.25 -0.01 0.20 0.23 0.00 0.00 176.35 177.02 1rl8 s ASN 98 N -0.35 0.47 0.00 2.29 0.01 -1.26 -5.27 114.94 110.83 1rl8 s ASN 98 Ca 0.18 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1rl8 s ASN 98 Cb -0.14 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.28 1rl8 s ASN 98 CO 0.06 -0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.78