#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fg8 s GLN 2 N 0.00 2.85 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.22 1fg8 s GLN 2 Ca 0.00 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.56 1fg8 s GLN 2 Cb 0.00 -2.27 0.03 0.00 1.10 0.00 0.00 33.01 31.87 1fg8 s GLN 2 CO 0.00 0.28 -0.15 0.42 -0.55 0.00 0.00 175.29 175.29 1fg8 s ILE 3 N 0.09 2.20 0.85 -2.34 1.01 -1.26 -5.12 121.20 116.64 1fg8 s ILE 3 Ca -0.11 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.23 1fg8 s ILE 3 Cb -0.16 -2.08 0.10 0.00 0.01 0.00 0.00 42.46 40.33 1fg8 s ILE 3 CO 0.06 0.30 1.12 0.42 0.00 0.00 0.00 174.94 176.84 1fg8 s THR 4 N 1.23 2.52 -0.20 2.92 -4.23 -1.26 -5.01 115.64 111.61 1fg8 s THR 4 Ca -0.01 0.17 0.17 0.00 -1.18 0.00 0.00 61.69 60.84 1fg8 s THR 4 Cb -0.16 -2.94 0.53 0.00 1.34 0.00 0.00 72.50 71.27 1fg8 s THR 4 CO -0.09 -0.22 1.42 0.18 -0.54 0.00 0.00 174.62 175.37 1fg8 n LEU 5 N -3.57 3.87 -0.28 4.79 4.77 -1.26 -4.52 117.00 120.80 1fg8 n LEU 5 Ca 0.07 -2.99 -0.06 0.00 -0.03 0.00 0.00 56.01 52.99 1fg8 n LEU 5 Cb 0.58 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1fg8 n LEU 5 CO 0.57 0.68 1.01 -0.50 -1.33 0.00 0.00 177.39 177.82 1fg8 h TRP 6 N 1.82 1.21 -1.85 -1.77 4.06 -2.06 -3.43 115.95 113.92 1fg8 h TRP 6 Ca 0.00 -0.11 -0.57 0.00 2.06 0.00 0.00 58.89 60.27 1fg8 h TRP 6 Cb 1.43 -0.35 -0.10 0.00 -1.00 0.00 0.00 29.16 29.14 1fg8 h TRP 6 CO 0.49 0.93 -0.58 0.15 -3.56 0.00 0.00 178.44 175.88 1fg8 s LYS 7 N -5.47 2.17 0.30 0.49 1.02 -1.26 -5.09 119.74 111.89 1fg8 s LYS 7 Ca -0.12 -1.73 -0.30 0.00 0.02 0.00 0.00 55.97 53.85 1fg8 s LYS 7 Cb 0.15 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.36 1fg8 s LYS 7 CO 0.84 0.08 1.54 1.03 -0.92 0.00 0.00 175.35 177.93 1fg8 s ARG 8 N -3.78 4.15 -1.23 1.68 0.52 -1.26 -4.86 118.95 114.17 1fg8 s ARG 8 Ca 0.36 2.52 -0.20 0.00 -0.52 0.00 0.00 55.73 57.90 1fg8 s ARG 8 Cb 0.00 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 1fg8 s ARG 8 CO 0.21 -0.57 1.87 -0.35 0.02 0.00 0.00 175.30 176.48 1fg8 n PRO 9 N 1.91 2.44 -3.64 3.54 -0.04 -1.26 -4.96 135.00 133.00 1fg8 n PRO 9 Ca 0.07 -2.81 -0.37 0.00 -0.04 0.00 0.00 63.50 60.35 1fg8 n PRO 9 Cb 0.38 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1fg8 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fg8 s LEU 10 N 6.34 4.42 0.14 1.53 1.43 -1.26 -0.89 118.68 130.39 1fg8 s LEU 10 Ca 0.59 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.43 1fg8 s LEU 10 Cb 0.04 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1fg8 s LEU 10 CO 0.09 0.31 0.11 0.68 0.23 0.00 0.00 176.35 177.77 1fg8 s VAL 11 N -1.15 0.09 0.03 -1.59 -7.23 -0.25 -4.96 120.40 105.34 1fg8 s VAL 11 Ca 0.24 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 1fg8 s VAL 11 Cb -0.15 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 1fg8 s VAL 11 CO 0.12 -0.40 0.57 -0.89 -0.31 0.00 0.00 175.10 174.20 1fg8 s THR 12 N -4.04 4.83 0.23 5.32 2.01 -1.26 -0.76 115.64 121.97 1fg8 s THR 12 Ca 0.24 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.51 1fg8 s THR 12 Cb 0.07 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1fg8 s THR 12 CO 0.02 0.49 -0.08 0.27 -0.69 0.00 0.00 174.62 174.63 1fg8 s ILE 13 N -0.64 1.48 -0.13 1.82 -4.36 0.36 -1.37 121.20 118.35 1fg8 s ILE 13 Ca 0.30 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1fg8 s ILE 13 Cb -0.19 -2.23 0.03 0.00 1.25 0.00 0.00 42.46 41.33 1fg8 s ILE 13 CO 0.18 -0.45 -0.06 -0.75 0.24 0.00 0.00 174.94 174.09 1fg8 s LYS 14 N -3.74 1.45 -0.04 0.37 2.20 -0.42 -1.22 119.74 118.35 1fg8 s LYS 14 Ca 0.25 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.49 1fg8 s LYS 14 Cb 0.03 -1.73 0.02 0.00 -1.51 0.00 0.00 37.83 34.63 1fg8 s LYS 14 CO 0.08 -0.34 0.10 -1.50 -0.36 0.00 0.00 175.35 173.34 1fg8 s ILE 15 N 1.69 -0.02 -1.50 5.43 2.07 0.51 -2.12 121.20 127.27 1fg8 s ILE 15 Ca 0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1fg8 s ILE 15 Cb -0.14 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.30 1fg8 s ILE 15 CO -0.08 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 1fg8 n GLY 16 N 3.41 -0.05 1.88 1.50 0.00 -1.26 -0.27 105.19 110.39 1fg8 n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1fg8 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg8 n GLY 17 N -0.78 0.50 3.24 -0.02 0.00 -1.26 -5.04 105.19 101.82 1fg8 n GLY 17 Ca -0.19 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1fg8 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fg8 s GLN 18 N -0.60 1.37 -0.13 1.61 -0.21 0.63 -5.13 119.66 117.21 1fg8 s GLN 18 Ca 0.00 -0.90 -0.15 0.00 0.02 0.00 0.00 55.36 54.33 1fg8 s GLN 18 Cb 0.00 -1.46 -0.05 0.00 1.00 0.00 0.00 33.01 32.50 1fg8 s GLN 18 CO 0.00 0.37 0.35 -0.51 -2.12 0.00 0.00 175.29 173.39 1fg8 s LEU 19 N -1.10 4.29 0.23 2.90 1.43 -1.26 -0.36 118.68 124.80 1fg8 s LEU 19 Ca 0.07 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1fg8 s LEU 19 Cb -0.09 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1fg8 s LEU 19 CO 0.01 0.11 0.14 -0.54 0.23 0.00 0.00 176.35 176.30 1fg8 s LYS 20 N 0.27 1.32 -0.18 1.70 1.02 -0.35 -4.97 119.74 118.55 1fg8 s LYS 20 Ca 0.20 -1.71 -0.04 0.00 0.02 0.00 0.00 55.97 54.43 1fg8 s LYS 20 Cb -0.14 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1fg8 s LYS 20 CO 0.07 -0.40 -0.02 -1.21 -0.92 0.00 0.00 175.35 172.87 1fg8 s GLU 21 N -4.05 3.62 0.09 1.68 0.41 -1.26 -0.49 118.70 118.70 1fg8 s GLU 21 Ca 0.39 -0.53 0.06 0.00 -0.41 0.00 0.00 54.97 54.47 1fg8 s GLU 21 Cb 0.07 -3.01 -0.03 0.00 -1.78 0.00 0.00 34.13 29.38 1fg8 s GLU 21 CO 0.14 0.09 -0.15 0.00 -0.49 0.00 0.00 175.26 174.85 1fg8 s ALA 22 N 0.79 1.34 -0.22 5.21 0.00 0.06 -4.42 121.76 124.52 1fg8 s ALA 22 Ca -0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 1fg8 s ALA 22 Cb -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1fg8 s ALA 22 CO 0.02 0.17 0.42 -1.17 0.00 0.00 0.00 175.76 175.20 1fg8 s LEU 23 N -1.97 4.12 -0.36 0.00 2.96 0.12 -1.09 118.68 122.47 1fg8 s LEU 23 Ca 0.02 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 1fg8 s LEU 23 Cb -0.08 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.08 1fg8 s LEU 23 CO 0.03 -0.13 1.44 -0.76 -1.32 0.00 0.00 176.35 175.60 1fg8 s LEU 24 N 1.60 3.68 -0.33 -0.68 1.43 -0.07 -1.36 118.68 122.95 1fg8 s LEU 24 Ca 0.19 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1fg8 s LEU 24 Cb -0.15 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.61 1fg8 s LEU 24 CO 0.09 -1.35 0.03 -0.62 0.23 0.00 0.00 176.35 174.72 1fg8 s ASP 25 N 3.86 4.81 0.48 2.29 -1.08 -0.17 -4.78 116.67 122.08 1fg8 s ASP 25 Ca 0.63 -1.79 0.31 0.00 -0.52 0.00 0.00 52.55 51.17 1fg8 s ASP 25 Cb -0.16 -1.66 1.20 0.00 -1.46 0.00 0.00 42.92 40.83 1fg8 s ASP 25 CO 0.30 -0.34 1.90 0.71 0.52 0.00 0.00 175.17 178.26 1fg8 h THR 26 N 6.58 0.00 -0.20 1.71 1.35 -1.93 -2.47 112.91 117.94 1fg8 h THR 26 Ca -0.12 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1fg8 h THR 26 Cb 1.04 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1fg8 h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1fg8 n GLY 27 N 0.15 0.44 3.46 5.82 0.00 -1.26 -4.81 105.19 108.99 1fg8 n GLY 27 Ca 0.01 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1fg8 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg8 s ALA 28 N -1.74 3.04 0.16 4.61 0.00 -0.93 -4.98 121.76 121.92 1fg8 s ALA 28 Ca 0.32 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1fg8 s ALA 28 Cb 0.17 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1fg8 s ALA 28 CO 0.26 -0.09 1.37 -0.44 0.00 0.00 0.00 175.76 176.86 1fg8 h ASP 29 N 7.36 0.39 -1.58 0.00 3.32 -1.87 0.11 116.42 124.15 1fg8 h ASP 29 Ca -0.35 -0.30 -0.58 0.00 0.02 0.00 0.00 57.03 55.82 1fg8 h ASP 29 Cb 1.18 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.52 1fg8 h ASP 29 CO 0.62 1.08 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.89 1fg8 s ASP 30 N -6.99 4.31 -0.20 6.45 1.01 -1.26 -2.97 116.67 117.02 1fg8 s ASP 30 Ca -0.04 -1.15 -0.06 0.00 0.71 0.00 0.00 52.55 52.01 1fg8 s ASP 30 Cb 0.10 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.56 1fg8 s ASP 30 CO 0.84 -0.53 0.02 -0.89 0.21 0.00 0.00 175.17 174.81 1fg8 s THR 31 N -2.63 4.16 -0.14 -1.27 2.01 -1.26 -2.80 115.64 113.71 1fg8 s THR 31 Ca 0.39 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1fg8 s THR 31 Cb 0.05 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.70 1fg8 s THR 31 CO 0.21 0.43 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.73 1fg8 s VAL 32 N 0.86 1.63 0.01 3.82 1.01 -0.00 -1.15 120.40 126.58 1fg8 s VAL 32 Ca 0.01 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1fg8 s VAL 32 Cb -0.14 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1fg8 s VAL 32 CO 0.02 0.47 -0.08 -0.63 0.00 0.00 0.00 175.10 174.88 1fg8 s ILE 33 N 1.32 3.52 0.68 2.22 -1.09 0.13 -0.31 121.20 127.67 1fg8 s ILE 33 Ca 0.02 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.44 1fg8 s ILE 33 Cb -0.13 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 1fg8 s ILE 33 CO -0.08 0.39 0.60 -1.84 -1.23 0.00 0.00 174.94 172.78 1fg8 n GLU 34 N 1.58 0.41 -1.66 2.79 0.28 -1.26 -2.11 120.64 120.67 1fg8 n GLU 34 Ca -0.16 0.18 -0.66 0.00 -0.16 0.00 0.00 57.16 56.36 1fg8 n GLU 34 Cb 0.52 -1.86 -0.10 0.00 1.43 0.00 0.00 31.44 31.43 1fg8 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1fg8 n GLU 35 N -0.71 0.01 -4.04 3.44 4.07 -1.02 -4.51 120.64 117.88 1fg8 n GLU 35 Ca 0.11 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.08 1fg8 n GLU 35 Cb 0.49 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.24 1fg8 n GLU 35 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1fg8 s MET 36 N 3.56 0.33 -1.27 5.31 -1.94 -1.26 -4.99 119.30 119.04 1fg8 s MET 36 Ca 1.08 -0.36 -0.08 0.00 -1.71 0.00 0.00 55.69 54.61 1fg8 s MET 36 Cb -1.50 -0.19 0.17 0.00 2.01 0.00 0.00 34.83 35.32 1fg8 s MET 36 CO 0.79 0.04 1.91 0.43 -0.01 0.00 0.00 175.02 178.19 1fg8 n SER 37 N 2.37 5.62 -4.75 3.03 7.64 -1.26 -4.98 113.62 121.30 1fg8 n SER 37 Ca -0.17 -3.15 -0.40 0.00 1.01 0.00 0.00 58.87 56.16 1fg8 n SER 37 Cb 0.57 -1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 1fg8 n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fg8 s LEU 38 N -0.69 4.57 0.54 -3.43 1.43 -1.26 -5.04 118.68 114.81 1fg8 s LEU 38 Ca 0.41 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.42 1fg8 s LEU 38 Cb 0.11 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1fg8 s LEU 38 CO -0.00 -0.03 0.98 -2.16 0.23 0.00 0.00 176.35 175.37 1fg8 s PRO 39 N -0.94 3.79 0.00 1.29 0.04 -1.26 -4.96 135.00 132.96 1fg8 s PRO 39 Ca 0.44 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1fg8 s PRO 39 Cb -0.28 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1fg8 s PRO 39 CO 0.35 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1fg8 n GLY 40 N -2.02 0.92 3.79 0.56 0.00 -1.26 -5.04 105.19 102.15 1fg8 n GLY 40 Ca 0.06 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1fg8 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fg8 s ARG 41 N -1.31 3.40 0.19 1.61 1.04 -1.26 -5.07 118.95 117.55 1fg8 s ARG 41 Ca 0.00 1.44 -0.16 0.00 -1.04 0.00 0.00 55.73 55.96 1fg8 s ARG 41 Cb 0.00 -2.03 0.02 0.00 -2.04 0.00 0.00 34.95 30.90 1fg8 s ARG 41 CO 0.00 -0.78 0.49 1.67 -0.04 0.00 0.00 175.30 176.64 1fg8 s TRP 42 N -2.03 -0.04 0.01 5.89 1.48 -1.26 -4.52 118.94 118.47 1fg8 s TRP 42 Ca 0.69 -0.31 0.01 0.00 -1.06 0.00 0.00 56.10 55.43 1fg8 s TRP 42 Cb -0.20 0.32 -0.01 0.00 -1.16 0.00 0.00 33.47 32.43 1fg8 s TRP 42 CO 0.29 -0.89 -0.04 -1.59 -4.06 0.00 0.00 176.95 170.66 1fg8 s LYS 43 N -3.89 0.29 0.40 3.25 -2.85 -0.77 -4.91 119.74 111.26 1fg8 s LYS 43 Ca 0.10 -0.29 -0.27 0.00 -1.00 0.00 0.00 55.97 54.52 1fg8 s LYS 43 Cb -0.00 -0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.49 1fg8 s LYS 43 CO -0.02 0.04 1.38 -2.14 0.10 0.00 0.00 175.35 174.71 1fg8 s PRO 44 N -0.53 3.96 0.10 1.78 0.02 -1.26 -0.57 135.00 138.50 1fg8 s PRO 44 Ca -0.03 2.33 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 1fg8 s PRO 44 Cb -0.04 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.69 1fg8 s PRO 44 CO -0.00 -0.56 0.28 0.21 -0.33 0.00 0.00 177.00 176.59 1fg8 s LYS 45 N -2.22 0.93 -0.11 5.54 2.20 -0.55 -4.86 119.74 120.66 1fg8 s LYS 45 Ca 0.56 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1fg8 s LYS 45 Cb -0.42 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.31 1fg8 s LYS 45 CO 0.55 -0.32 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.43 1fg8 s MET 46 N -3.73 2.16 0.03 4.03 -1.94 -1.26 -1.04 119.30 117.55 1fg8 s MET 46 Ca 0.03 -0.54 0.09 0.00 -1.71 0.00 0.00 55.69 53.56 1fg8 s MET 46 Cb 0.03 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 1fg8 s MET 46 CO -0.11 -0.08 -0.26 0.96 -0.01 0.00 0.00 175.02 175.52 1fg8 s ILE 47 N 1.05 2.09 0.32 2.53 -4.36 -0.83 -4.95 121.20 117.05 1fg8 s ILE 47 Ca -0.05 -1.30 0.10 0.00 -0.26 0.00 0.00 60.65 59.13 1fg8 s ILE 47 Cb -0.15 -1.77 -0.06 0.00 1.25 0.00 0.00 42.46 41.73 1fg8 s ILE 47 CO -0.02 0.42 -0.11 -0.83 0.24 0.00 0.00 174.94 174.63 1fg8 s GLY 48 N -1.07 2.07 0.00 6.27 0.00 -1.26 -0.88 107.32 112.45 1fg8 s GLY 48 Ca 0.11 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1fg8 s GLY 48 CO 0.01 -1.99 0.00 0.61 0.00 0.00 0.00 173.10 171.74 1fg8 n GLY 49 N -0.77 3.58 0.45 0.20 0.00 -0.32 -4.99 105.19 103.34 1fg8 n GLY 49 Ca -0.05 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1fg8 n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fg8 h ILE 50 N 0.00 0.00 -0.63 -0.61 1.08 -2.03 -3.13 117.51 112.20 1fg8 h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1fg8 h ILE 50 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1fg8 h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1fg8 n GLY 51 N -1.38 2.03 0.00 5.37 0.00 -1.26 -5.06 105.19 104.90 1fg8 n GLY 51 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1fg8 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg8 n GLY 52 N 1.45 0.89 3.62 -0.02 0.00 -1.18 -5.12 105.19 104.83 1fg8 n GLY 52 Ca 0.21 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 1fg8 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fg8 s PHE 53 N -2.95 2.66 0.03 1.61 0.40 -1.26 -1.17 117.98 117.30 1fg8 s PHE 53 Ca 0.00 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1fg8 s PHE 53 Cb 0.00 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 1fg8 s PHE 53 CO 0.00 0.61 -0.08 0.96 0.70 0.00 0.00 175.22 177.41 1fg8 s ILE 54 N -2.22 0.58 -0.03 0.64 -4.36 -0.06 -4.97 121.20 110.78 1fg8 s ILE 54 Ca 0.30 -0.91 -0.27 0.00 -0.26 0.00 0.00 60.65 59.51 1fg8 s ILE 54 Cb -0.07 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 43.00 1fg8 s ILE 54 CO 0.19 -0.25 0.85 -0.75 0.24 0.00 0.00 174.94 175.22 1fg8 s LYS 55 N -1.26 4.50 0.16 0.37 2.20 -1.26 -1.96 119.74 122.48 1fg8 s LYS 55 Ca -0.06 1.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.73 1fg8 s LYS 55 Cb -0.08 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1fg8 s LYS 55 CO 0.00 -0.01 0.01 0.14 -0.36 0.00 0.00 175.35 175.13 1fg8 s VAL 56 N 0.95 0.58 -0.22 4.02 -7.23 -0.21 -4.43 120.40 113.87 1fg8 s VAL 56 Ca 0.45 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1fg8 s VAL 56 Cb -0.19 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1fg8 s VAL 56 CO 0.23 -0.51 0.00 -0.13 -0.31 0.00 0.00 175.10 174.39 1fg8 s ARG 57 N -3.93 3.55 -0.32 4.82 0.52 0.65 -1.48 118.95 122.76 1fg8 s ARG 57 Ca 0.23 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 54.70 1fg8 s ARG 57 Cb 0.06 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 1fg8 s ARG 57 CO 0.03 -0.10 0.59 -1.14 0.02 0.00 0.00 175.30 174.70 1fg8 s GLN 58 N 1.28 3.83 -0.19 3.54 0.74 0.27 -0.87 119.66 128.26 1fg8 s GLN 58 Ca 0.04 0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.58 1fg8 s GLN 58 Cb -0.15 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 1fg8 s GLN 58 CO 0.01 -0.59 -0.04 0.71 -0.55 0.00 0.00 175.29 174.83 1fg8 s TYR 59 N 2.55 2.97 0.42 1.67 1.51 -0.56 -1.86 117.35 124.06 1fg8 s TYR 59 Ca 0.23 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1fg8 s TYR 59 Cb -0.15 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1fg8 s TYR 59 CO 0.12 -0.33 0.66 -0.51 -1.11 0.00 0.00 175.55 174.38 1fg8 s ASP 60 N 1.00 6.11 -1.42 2.29 1.01 -1.26 -0.97 116.67 123.42 1fg8 s ASP 60 Ca 0.00 0.53 -0.05 0.00 0.71 0.00 0.00 52.55 53.75 1fg8 s ASP 60 Cb -0.15 -1.92 0.03 0.00 1.01 0.00 0.00 42.92 41.90 1fg8 s ASP 60 CO 0.01 -0.53 0.72 0.00 0.21 0.00 0.00 175.17 175.57 1fg8 n GLN 61 N -2.04 -4.58 -3.42 8.23 1.13 -1.10 -4.89 117.38 110.71 1fg8 n GLN 61 Ca -0.01 0.55 -0.37 0.00 -1.94 0.00 0.00 57.00 55.22 1fg8 n GLN 61 Cb 0.56 -5.11 -0.07 0.00 0.11 0.00 0.00 30.24 25.74 1fg8 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fg8 s ILE 62 N -3.61 5.25 -0.19 5.09 -1.09 0.27 -4.74 121.20 122.17 1fg8 s ILE 62 Ca 0.24 0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 59.16 1fg8 s ILE 62 Cb -0.12 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1fg8 s ILE 62 CO 0.84 0.35 0.78 -0.63 -1.23 0.00 0.00 174.94 175.05 1fg8 s ILE 63 N 0.58 4.91 0.00 2.92 1.01 -1.26 -0.86 121.20 128.50 1fg8 s ILE 63 Ca 0.21 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.40 1fg8 s ILE 63 Cb -0.14 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1fg8 s ILE 63 CO 0.07 0.03 -0.11 -0.63 0.00 0.00 0.00 174.94 174.30 1fg8 s ILE 64 N 2.23 0.85 -0.21 2.92 1.01 -0.05 -4.49 121.20 123.46 1fg8 s ILE 64 Ca 0.35 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 1fg8 s ILE 64 Cb -0.16 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1fg8 s ILE 64 CO 0.11 0.16 -0.02 -0.70 0.00 0.00 0.00 174.94 174.48 1fg8 s GLU 65 N -0.47 3.47 -0.33 2.79 2.12 -0.90 0.24 118.70 125.62 1fg8 s GLU 65 Ca 0.03 -0.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.73 1fg8 s GLU 65 Cb -0.05 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1fg8 s GLU 65 CO -0.00 -0.12 0.07 0.42 -0.54 0.00 0.00 175.26 175.09 1fg8 s ILE 66 N 1.31 3.50 -1.44 -3.70 1.01 0.35 -1.30 121.20 120.94 1fg8 s ILE 66 Ca 0.04 -1.23 -0.06 0.00 0.00 0.00 0.00 60.65 59.39 1fg8 s ILE 66 Cb -0.14 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.37 1fg8 s ILE 66 CO -0.01 -0.16 0.76 0.00 0.00 0.00 0.00 174.94 175.53 1fg8 n ALA 67 N 4.74 -1.70 -0.20 9.38 0.00 -0.47 -0.42 120.51 131.84 1fg8 n ALA 67 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1fg8 n ALA 67 Cb 0.44 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.01 1fg8 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fg8 n GLY 68 N -1.68 1.83 3.52 0.00 0.00 -1.26 -5.01 105.19 102.59 1fg8 n GLY 68 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1fg8 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fg8 s HIS 69 N -2.94 3.21 0.40 1.61 4.02 0.44 -5.07 115.29 116.95 1fg8 s HIS 69 Ca 0.00 -0.21 -0.25 0.00 1.02 0.00 0.00 55.06 55.63 1fg8 s HIS 69 Cb 0.00 -2.41 -0.09 0.00 -1.02 0.00 0.00 32.58 29.06 1fg8 s HIS 69 CO 0.00 -0.33 1.09 0.15 1.02 0.00 0.00 174.74 176.67 1fg8 s LYS 70 N 1.70 4.13 0.10 1.40 3.01 -1.26 0.13 119.74 128.96 1fg8 s LYS 70 Ca 0.06 1.63 -0.17 0.00 -1.01 0.00 0.00 55.97 56.48 1fg8 s LYS 70 Cb -0.17 -2.60 0.04 0.00 -1.01 0.00 0.00 37.83 34.08 1fg8 s LYS 70 CO 0.09 -0.19 0.40 0.00 0.51 0.00 0.00 175.35 176.16 1fg8 s ALA 71 N -1.56 -0.95 -0.03 5.17 0.00 0.14 -4.80 121.76 119.73 1fg8 s ALA 71 Ca 0.57 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1fg8 s ALA 71 Cb -0.25 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1fg8 s ALA 71 CO 0.32 -0.58 0.01 -1.50 0.00 0.00 0.00 175.76 174.00 1fg8 s ILE 72 N -3.39 0.12 0.00 0.00 2.07 -1.26 -0.87 121.20 117.86 1fg8 s ILE 72 Ca 0.00 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1fg8 s ILE 72 Cb 0.01 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.37 1fg8 s ILE 72 CO -0.09 0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1fg8 n GLY 73 N 4.20 0.71 3.71 1.50 0.00 -0.04 -4.88 105.19 110.39 1fg8 n GLY 73 Ca -0.26 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1fg8 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fg8 s THR 74 N -2.05 4.89 -0.08 2.61 2.01 -1.26 0.94 115.64 122.69 1fg8 s THR 74 Ca 0.00 1.97 0.02 0.00 0.31 0.00 0.00 61.69 64.00 1fg8 s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1fg8 s THR 74 CO 0.00 0.16 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.25 1fg8 s VAL 75 N 1.05 1.42 -0.16 3.82 1.01 -0.15 -4.53 120.40 122.87 1fg8 s VAL 75 Ca 0.50 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1fg8 s VAL 75 Cb -0.20 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1fg8 s VAL 75 CO 0.26 0.42 0.26 -0.76 0.00 0.00 0.00 175.10 175.28 1fg8 s LEU 76 N 0.71 4.26 -0.12 3.92 1.43 -0.30 -1.49 118.68 127.08 1fg8 s LEU 76 Ca -0.13 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1fg8 s LEU 76 Cb -0.16 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1fg8 s LEU 76 CO 0.03 0.14 -0.17 -0.69 0.23 0.00 0.00 176.35 175.88 1fg8 s VAL 77 N 0.31 2.64 -0.04 -1.59 1.01 -0.05 0.18 120.40 122.86 1fg8 s VAL 77 Ca 0.15 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1fg8 s VAL 77 Cb -0.13 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1fg8 s VAL 77 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1fg8 n GLY 78 N 3.58 -1.16 2.60 4.51 0.00 -0.90 -0.25 105.19 113.58 1fg8 n GLY 78 Ca -0.19 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1fg8 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fg8 n PRO 79 N -0.00 1.20 -2.88 1.61 -0.04 -1.26 -2.44 135.00 131.18 1fg8 n PRO 79 Ca 0.00 -0.90 -0.39 0.00 -0.04 0.00 0.00 63.50 62.17 1fg8 n PRO 79 Cb 0.00 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 1fg8 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fg8 s THR 80 N 3.39 4.25 0.30 0.52 -1.32 -1.26 -4.96 115.64 116.56 1fg8 s THR 80 Ca 0.26 1.84 0.32 0.00 -1.21 0.00 0.00 61.69 62.91 1fg8 s THR 80 Cb 0.09 -4.19 0.35 0.00 -1.51 0.00 0.00 72.50 67.23 1fg8 s THR 80 CO -0.02 0.46 2.05 1.55 -2.21 0.00 0.00 174.62 176.46 1fg8 h PRO 81 N 4.10 0.00 -2.59 7.08 0.13 -1.98 -3.45 132.00 135.30 1fg8 h PRO 81 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1fg8 h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1fg8 h PRO 81 CO 0.67 0.08 -0.09 0.54 -0.23 0.00 0.00 178.00 178.97 1fg8 s VAL 82 N -3.91 0.03 -0.04 1.56 0.11 -1.26 -5.11 120.40 111.78 1fg8 s VAL 82 Ca -0.01 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 1fg8 s VAL 82 Cb 0.11 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1fg8 s VAL 82 CO 0.55 -0.13 1.47 0.20 -3.33 0.00 0.00 175.10 173.86 1fg8 s ASN 83 N -1.05 6.80 -0.14 3.54 0.01 -1.26 -4.74 114.94 118.09 1fg8 s ASN 83 Ca -0.11 2.11 0.02 0.00 -0.71 0.00 0.00 52.86 54.17 1fg8 s ASN 83 Cb -0.03 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1fg8 s ASN 83 CO 0.06 -0.80 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.02 1fg8 s ILE 84 N 3.05 2.24 -0.36 0.60 1.01 0.58 0.15 121.20 128.47 1fg8 s ILE 84 Ca 0.66 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1fg8 s ILE 84 Cb -0.31 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 1fg8 s ILE 84 CO 0.26 0.54 0.26 -0.63 0.00 0.00 0.00 174.94 175.37 1fg8 s ILE 85 N 0.80 5.24 0.55 2.92 -1.09 -0.46 -0.82 121.20 128.34 1fg8 s ILE 85 Ca -0.07 -0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 57.94 1fg8 s ILE 85 Cb -0.16 -3.78 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 1fg8 s ILE 85 CO -0.01 -0.12 0.76 0.61 -1.23 0.00 0.00 174.94 174.95 1fg8 n GLY 86 N 5.12 0.33 0.28 6.18 0.00 -1.12 -1.00 105.19 114.98 1fg8 n GLY 86 Ca -0.12 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.05 1fg8 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fg8 h ARG 87 N 0.00 0.00 -0.07 1.61 3.08 -0.86 -1.16 114.38 116.98 1fg8 h ARG 87 Ca -0.25 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1fg8 h ARG 87 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1fg8 h ARG 87 CO 0.25 0.00 0.05 0.38 -1.07 0.00 0.00 179.97 179.58 1fg8 h ASP 88 N 0.00 0.00 0.00 7.04 2.03 -1.79 -1.28 116.42 122.43 1fg8 h ASP 88 Ca 0.02 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.11 1fg8 h ASP 88 Cb 0.07 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.53 1fg8 h ASP 88 CO -0.00 0.00 -1.93 0.18 -1.03 0.00 0.00 179.24 176.46 1fg8 n LEU 89 N -4.48 0.00 -0.04 0.15 4.77 -0.85 -4.35 117.00 112.20 1fg8 n LEU 89 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1fg8 n LEU 89 Cb 0.16 0.27 0.25 0.00 -2.33 0.00 0.00 43.42 41.78 1fg8 n LEU 89 CO 0.34 0.27 0.93 -0.07 -1.33 0.00 0.00 177.39 177.54 1fg8 h LEU 90 N 0.00 0.59 -0.91 2.23 3.38 -1.01 -2.06 115.31 117.52 1fg8 h LEU 90 Ca -0.30 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1fg8 h LEU 90 Cb 1.61 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1fg8 h LEU 90 CO 0.02 0.64 -0.20 0.71 0.09 0.00 0.00 178.44 179.70 1fg8 h THR 91 N 0.60 1.26 -0.09 0.22 1.35 -1.46 -1.12 112.91 113.67 1fg8 h THR 91 Ca 0.13 -1.22 -0.08 0.00 -0.55 0.00 0.00 66.41 64.69 1fg8 h THR 91 Cb 0.34 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1fg8 h THR 91 CO 0.01 0.40 -0.32 1.56 -0.25 0.00 0.00 175.52 176.91 1fg8 h GLN 92 N 0.52 0.17 -0.38 4.72 4.20 -1.58 -2.38 115.11 120.38 1fg8 h GLN 92 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1fg8 h GLN 92 Cb 0.63 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1fg8 h GLN 92 CO 0.04 0.48 0.00 0.44 -0.67 0.00 0.00 178.83 179.12 1fg8 n ILE 93 N -4.11 0.50 -2.27 2.54 -5.35 -1.03 -4.95 119.36 104.69 1fg8 n ILE 93 Ca -0.01 -0.58 -0.11 0.00 -0.27 0.00 0.00 62.75 61.78 1fg8 n ILE 93 Cb 0.40 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1fg8 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fg8 n GLY 94 N 1.26 -0.08 3.74 3.28 0.00 -0.89 -5.01 105.19 107.50 1fg8 n GLY 94 Ca 0.17 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1fg8 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg8 s ALA 95 N -2.59 3.33 0.19 4.61 0.00 -0.44 -5.03 121.76 121.82 1fg8 s ALA 95 Ca 0.02 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1fg8 s ALA 95 Cb -0.01 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1fg8 s ALA 95 CO 0.02 -0.05 -0.05 0.95 0.00 0.00 0.00 175.76 176.64 1fg8 s THR 96 N -0.45 1.07 -0.15 0.00 -4.23 -1.26 -4.71 115.64 105.90 1fg8 s THR 96 Ca 0.46 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1fg8 s THR 96 Cb -0.27 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1fg8 s THR 96 CO 0.33 -0.52 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.66 1fg8 s LEU 97 N -3.24 3.37 -0.04 4.79 2.96 -1.26 -5.10 118.68 120.17 1fg8 s LEU 97 Ca 0.23 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1fg8 s LEU 97 Cb 0.04 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1fg8 s LEU 97 CO 0.05 0.19 -0.05 0.20 -1.32 0.00 0.00 176.35 175.42 1fg8 s ASN 98 N 0.25 0.92 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.36 1fg8 s ASN 98 Ca -0.02 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 1fg8 s ASN 98 Cb -0.14 -0.40 0.00 0.00 -0.02 0.00 0.00 41.25 40.69 1fg8 s ASN 98 CO 0.02 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.75