#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f77 n GLY 2 N 0.00 0.76 3.94 -5.12 0.00 -1.26 -5.04 105.19 98.47 2f77 n GLY 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2f77 n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f77 s GLN 3 N -0.47 3.51 0.19 1.61 -1.52 -1.26 -5.02 119.66 116.70 2f77 s GLN 3 Ca 0.00 -0.34 -0.33 0.00 -1.95 0.00 0.00 55.36 52.74 2f77 s GLN 3 Cb 0.00 -2.74 -0.13 0.00 -0.22 0.00 0.00 33.01 29.92 2f77 s GLN 3 CO 0.00 0.26 1.58 0.39 -0.25 0.00 0.00 175.29 177.27 2f77 n GLU 4 N -1.32 2.28 -3.05 2.91 1.02 -1.26 -4.91 120.64 116.31 2f77 n GLU 4 Ca -0.05 0.82 -0.44 0.00 -0.02 0.00 0.00 57.16 57.48 2f77 n GLU 4 Cb 0.55 -2.59 -0.05 0.00 -0.02 0.00 0.00 31.44 29.33 2f77 n GLU 4 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2f77 s LEU 5 N 0.79 4.76 0.73 -4.62 1.43 -1.26 -5.01 118.68 115.50 2f77 s LEU 5 Ca 0.76 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 2f77 s LEU 5 Cb -0.64 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.11 2f77 s LEU 5 CO 0.39 -1.03 1.08 -0.94 0.23 0.00 0.00 176.35 176.07 2f77 s SER 6 N 2.88 4.90 0.27 2.29 1.04 -1.26 -4.75 113.70 119.07 2f77 s SER 6 Ca 0.19 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 2f77 s SER 6 Cb -0.18 -1.39 0.51 0.00 0.10 0.00 0.00 66.02 65.06 2f77 s SER 6 CO 0.13 -1.61 1.80 -0.61 0.98 0.00 0.00 173.24 173.94 2f77 h GLN 7 N -0.73 0.79 -0.28 4.02 4.15 -1.98 0.30 115.11 121.37 2f77 h GLN 7 Ca -0.45 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 58.87 2f77 h GLN 7 Cb 1.30 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2f77 h GLN 7 CO 0.63 0.52 -0.03 1.25 -1.93 0.00 0.00 178.83 179.28 2f77 h HIS 8 N 0.82 0.57 -0.12 3.99 2.76 -2.00 -1.54 115.15 119.64 2f77 h HIS 8 Ca 0.46 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.47 2f77 h HIS 8 Cb 0.52 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 2f77 h HIS 8 CO -0.04 0.69 -0.18 0.93 -1.30 0.00 0.00 177.93 178.03 2f77 h GLU 9 N 0.29 0.19 -0.31 5.26 5.08 -1.58 -2.55 114.58 120.96 2f77 h GLU 9 Ca 0.08 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2f77 h GLU 9 Cb 0.48 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2f77 h GLU 9 CO 0.02 0.37 -0.46 0.00 -1.00 0.00 0.00 179.01 177.94 2f77 h ARG 10 N 0.18 0.85 -0.02 2.33 3.08 -0.18 -1.51 114.38 119.10 2f77 h ARG 10 Ca 0.03 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 2f77 h ARG 10 Cb 0.43 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2f77 h ARG 10 CO 0.03 1.14 0.01 -0.92 -1.07 0.00 0.00 179.97 179.17 2f77 h TYR 11 N 0.63 0.03 -0.22 3.04 3.20 -0.89 -1.73 116.97 121.03 2f77 h TYR 11 Ca 0.03 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2f77 h TYR 11 Cb 1.06 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2f77 h TYR 11 CO 0.07 0.05 -0.14 -0.39 -1.64 0.00 0.00 178.16 176.11 2f77 h VAL 12 N 0.00 1.21 -0.88 1.81 -1.51 -1.51 -2.43 116.25 112.95 2f77 h VAL 12 Ca 0.01 -0.94 -0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2f77 h VAL 12 Cb 0.03 1.20 -0.04 0.00 -2.13 0.00 0.00 31.29 30.35 2f77 h VAL 12 CO -0.00 0.30 0.55 -0.08 -1.23 0.00 0.00 177.57 177.10 2f77 h GLU 13 N 0.34 1.18 -0.48 5.19 4.81 -0.65 -1.21 114.58 123.76 2f77 h GLU 13 Ca 0.06 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2f77 h GLU 13 Cb 0.46 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2f77 h GLU 13 CO 0.03 0.81 0.06 0.37 -0.73 0.00 0.00 179.01 179.55 2f77 h GLN 14 N 1.20 0.75 -0.72 1.92 4.15 -0.85 -2.30 115.11 119.26 2f77 h GLN 14 Ca 0.32 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2f77 h GLN 14 Cb -0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 2f77 h GLN 14 CO -0.06 0.72 0.32 1.25 -1.93 0.00 0.00 178.83 179.13 2f77 h LEU 15 N 0.71 0.96 -0.94 -2.39 5.85 -1.01 -2.33 115.31 116.17 2f77 h LEU 15 Ca 0.15 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2f77 h LEU 15 Cb 0.35 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2f77 h LEU 15 CO 0.01 0.84 0.62 0.50 -0.34 0.00 0.00 178.44 180.07 2f77 h LYS 16 N 1.01 1.21 -0.56 1.25 3.64 -0.77 -0.50 116.57 121.85 2f77 h LYS 16 Ca 0.24 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2f77 h LYS 16 Cb 0.15 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2f77 h LYS 16 CO -0.03 0.80 0.36 1.96 -2.27 0.00 0.00 179.45 180.27 2f77 h GLN 17 N 1.25 0.70 -0.59 1.90 4.20 -1.08 0.29 115.11 121.77 2f77 h GLN 17 Ca 0.35 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 2f77 h GLN 17 Cb -0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 2f77 h GLN 17 CO -0.09 0.46 0.07 0.00 -0.67 0.00 0.00 178.83 178.60 2f77 h ALA 18 N 1.23 1.00 -0.50 3.87 0.00 -1.04 -2.15 119.26 121.67 2f77 h ALA 18 Ca 0.22 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2f77 h ALA 18 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2f77 h ALA 18 CO -0.07 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.65 2f77 h LEU 19 N 0.91 0.95 -1.70 0.00 3.38 -0.29 -1.89 115.31 116.68 2f77 h LEU 19 Ca 0.18 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2f77 h LEU 19 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2f77 h LEU 19 CO 0.01 1.07 -0.09 0.50 0.09 0.00 0.00 178.44 180.03 2f77 h LYS 20 N 0.81 0.08 0.01 1.13 3.64 -0.14 -1.08 116.57 121.02 2f77 h LYS 20 Ca 0.13 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 2f77 h LYS 20 Cb 0.64 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2f77 h LYS 20 CO 0.04 0.17 -0.90 1.79 -2.27 0.00 0.00 179.45 178.28 2f77 h THR 21 N 0.07 1.57 0.00 1.00 1.35 -0.97 -3.09 112.91 112.84 2f77 h THR 21 Ca 0.02 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 2f77 h THR 21 Cb 0.21 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2f77 h THR 21 CO 0.01 0.82 0.00 0.08 -0.25 0.00 0.00 175.52 176.18 2f77 h ARG 22 N 0.05 0.00 0.00 4.72 0.11 -0.51 -3.46 114.38 115.29 2f77 h ARG 22 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2f77 h ARG 22 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 2f77 h ARG 22 CO 0.13 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.61 2f77 n GLY 23 N 0.63 0.96 3.24 0.08 0.00 -0.76 -5.10 105.19 104.24 2f77 n GLY 23 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2f77 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f77 s VAL 24 N -0.30 1.73 -0.35 1.61 1.01 -0.50 -4.97 120.40 118.63 2f77 s VAL 24 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2f77 s VAL 24 Cb 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 35.04 2f77 s VAL 24 CO 0.00 0.49 0.10 -0.54 0.00 0.00 0.00 175.10 175.15 2f77 s LYS 25 N -0.46 1.22 -0.01 2.72 1.02 -1.26 -4.16 119.74 118.79 2f77 s LYS 25 Ca 0.07 -1.65 0.03 0.00 0.02 0.00 0.00 55.97 54.44 2f77 s LYS 25 Cb -0.09 -2.68 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2f77 s LYS 25 CO -0.00 -0.99 -0.10 0.08 -0.92 0.00 0.00 175.35 173.41 2f77 s VAL 26 N 1.02 0.81 0.49 3.17 1.01 -1.26 -4.85 120.40 120.79 2f77 s VAL 26 Ca 0.12 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 2f77 s VAL 26 Cb -0.19 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 2f77 s VAL 26 CO -0.13 0.24 1.04 -0.54 0.00 0.00 0.00 175.10 175.71 2f77 s LYS 27 N -0.10 3.79 0.33 2.72 1.02 -1.26 -4.93 119.74 121.30 2f77 s LYS 27 Ca 0.02 1.36 0.03 0.00 0.02 0.00 0.00 55.97 57.39 2f77 s LYS 27 Cb -0.05 -2.09 0.57 0.00 -0.52 0.00 0.00 37.83 35.73 2f77 s LYS 27 CO -0.00 -0.44 1.89 1.88 -0.92 0.00 0.00 175.35 177.76 2f77 h TYR 28 N 1.53 0.66 -0.50 3.18 -1.99 -2.01 -1.89 116.97 115.95 2f77 h TYR 28 Ca -0.49 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.20 2f77 h TYR 28 Cb 1.22 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 2f77 h TYR 28 CO 0.57 0.57 0.33 0.00 -0.00 0.00 0.00 178.16 179.62 2f77 h ALA 29 N 1.49 1.66 -0.62 3.88 0.00 -1.96 -1.23 119.26 122.47 2f77 h ALA 29 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2f77 h ALA 29 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2f77 h ALA 29 CO -0.00 0.32 0.23 -0.44 0.00 0.00 0.00 179.25 179.35 2f77 h ASP 30 N 0.66 0.83 -0.42 0.00 3.32 -1.72 -0.73 116.42 118.36 2f77 h ASP 30 Ca 0.18 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2f77 h ASP 30 Cb -0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2f77 h ASP 30 CO -0.04 0.76 0.17 -0.07 -1.72 0.00 0.00 179.24 178.34 2f77 h LEU 31 N 0.89 0.58 -0.49 1.55 -0.00 -1.20 0.47 115.31 117.12 2f77 h LEU 31 Ca 0.21 -0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 57.88 2f77 h LEU 31 Cb 0.20 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 2f77 h LEU 31 CO -0.02 0.58 0.11 -0.07 -0.00 0.00 0.00 178.44 179.05 2f77 h LEU 32 N 0.54 0.75 -0.78 1.67 3.38 -1.20 -2.65 115.31 117.02 2f77 h LEU 32 Ca 0.14 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2f77 h LEU 32 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2f77 h LEU 32 CO -0.01 0.79 -0.27 0.11 0.09 0.00 0.00 178.44 179.15 2f77 h LYS 33 N 0.67 0.62 -0.29 1.13 1.57 -0.87 -2.79 116.57 116.61 2f77 h LYS 33 Ca 0.15 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2f77 h LYS 33 Cb 0.34 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2f77 h LYS 33 CO 0.00 0.83 0.07 0.35 -0.57 0.00 0.00 179.45 180.13 2f77 h PHE 34 N 0.54 0.12 -0.80 -1.35 3.57 0.27 0.21 116.94 119.49 2f77 h PHE 34 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2f77 h PHE 34 Cb 0.74 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2f77 h PHE 34 CO 0.03 0.04 0.42 0.74 -2.23 0.00 0.00 178.31 177.31 2f77 h PHE 35 N 0.18 1.11 -0.50 0.41 0.04 -1.39 -0.60 116.94 116.19 2f77 h PHE 35 Ca 0.13 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2f77 h PHE 35 Cb 0.13 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 2f77 h PHE 35 CO -0.16 0.79 0.32 -0.44 -0.60 0.00 0.00 178.31 178.22 2f77 h ASP 36 N 1.12 0.59 -0.15 2.17 3.32 -1.06 0.20 116.42 122.61 2f77 h ASP 36 Ca 0.28 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2f77 h ASP 36 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2f77 h ASP 36 CO -0.04 0.45 0.06 0.15 -1.72 0.00 0.00 179.24 178.13 2f77 h PHE 37 N 0.67 0.24 -0.48 4.55 3.57 -0.51 0.81 116.94 125.78 2f77 h PHE 37 Ca 0.18 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2f77 h PHE 37 Cb -0.05 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2f77 h PHE 37 CO -0.03 0.32 0.30 0.28 -2.23 0.00 0.00 178.31 176.95 2f77 h VAL 38 N 0.08 1.14 -0.31 1.41 2.07 -0.82 -1.49 116.25 118.33 2f77 h VAL 38 Ca 0.05 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2f77 h VAL 38 Cb 0.19 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2f77 h VAL 38 CO -0.00 0.14 -0.04 0.50 0.02 0.00 0.00 177.57 178.18 2f77 h LYS 39 N 0.65 0.49 0.00 1.57 3.64 -0.42 -1.23 116.57 121.26 2f77 h LYS 39 Ca 0.17 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2f77 h LYS 39 Cb -0.03 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2f77 h LYS 39 CO -0.03 0.55 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.22 2f77 h ASP 40 N 0.47 0.00 0.40 4.20 3.32 0.05 -2.85 116.42 122.00 2f77 h ASP 40 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2f77 h ASP 40 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2f77 h ASP 40 CO 0.02 0.03 -0.46 0.74 -1.72 0.00 0.00 179.24 177.85 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 -0.25 -1.24 112.91 113.79 2f77 h THR 41 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2f77 h THR 41 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2f77 h THR 41 CO 0.00 0.00 -1.00 0.00 0.37 0.00 0.00 175.52 174.89 2f77 h PRO 43 N -0.87 0.02 0.00 0.00 0.11 -1.72 -3.42 132.00 126.12 2f77 h PRO 43 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2f77 h PRO 43 Cb 0.93 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2f77 h PRO 43 CO -0.03 0.01 0.00 0.91 -0.21 0.00 0.00 178.00 178.68 2f77 n TRP 44 N -5.53 0.00 0.00 0.65 8.01 -1.20 -5.03 117.44 114.35 2f77 n TRP 44 Ca 0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 2f77 n TRP 44 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 2f77 n TRP 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2f77 n PHE 45 N 0.00 -0.05 -1.81 -5.99 7.35 -0.47 -4.75 117.46 111.73 2f77 n PHE 45 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 2f77 n PHE 45 Cb 0.00 0.01 0.01 0.00 0.35 0.00 0.00 39.48 39.85 2f77 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2f77 s PRO 46 N -1.17 3.91 0.33 -7.13 0.02 -1.26 -4.81 135.00 124.89 2f77 s PRO 46 Ca 0.00 2.48 0.10 0.00 0.02 0.00 0.00 61.00 63.60 2f77 s PRO 46 Cb 0.00 -2.82 -0.06 0.00 0.02 0.00 0.00 34.50 31.64 2f77 s PRO 46 CO 0.00 -0.66 -0.08 1.14 -0.33 0.00 0.00 177.00 177.06 2f77 s GLN 47 N -2.26 1.86 0.73 5.54 -2.07 -1.26 -4.77 119.66 117.43 2f77 s GLN 47 Ca 0.57 -1.87 -0.11 0.00 -1.82 0.00 0.00 55.36 52.12 2f77 s GLN 47 Cb -0.45 -1.76 0.03 0.00 -1.09 0.00 0.00 33.01 29.74 2f77 s GLN 47 CO 0.59 0.17 1.07 -1.21 -1.32 0.00 0.00 175.29 174.59 2f77 s GLU 48 N -3.62 2.60 0.00 9.60 2.02 -1.26 -4.96 118.70 123.09 2f77 s GLU 48 Ca 0.33 0.92 0.24 0.00 0.02 0.00 0.00 54.97 56.48 2f77 s GLU 48 Cb 0.01 -1.95 0.23 0.00 0.10 0.00 0.00 34.13 32.52 2f77 s GLU 48 CO 0.17 -1.33 1.25 0.41 0.02 0.00 0.00 175.26 175.79 2f77 n GLY 49 N -1.86 0.27 3.11 -1.39 0.00 -1.26 -4.82 105.19 99.24 2f77 n GLY 49 Ca 0.08 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2f77 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f77 s THR 50 N -2.29 2.16 -0.03 2.61 2.01 -1.26 -4.81 115.64 114.04 2f77 s THR 50 Ca 0.24 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2f77 s THR 50 Cb 0.19 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2f77 s THR 50 CO 0.46 0.31 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.16 2f77 s ILE 51 N 1.23 0.39 0.11 1.82 -1.16 -1.26 -5.10 121.20 117.23 2f77 s ILE 51 Ca -0.00 -0.08 -0.31 0.00 -0.51 0.00 0.00 60.65 59.75 2f77 s ILE 51 Cb -0.16 -0.42 -0.07 0.00 0.61 0.00 0.00 42.46 42.43 2f77 s ILE 51 CO -0.10 0.17 1.25 -1.81 -2.81 0.00 0.00 174.94 171.65 2f77 s ASP 52 N 0.71 7.01 0.15 4.50 1.01 -1.26 -4.92 116.67 123.87 2f77 s ASP 52 Ca -0.08 2.15 -0.13 0.00 0.71 0.00 0.00 52.55 55.21 2f77 s ASP 52 Cb -0.12 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.26 2f77 s ASP 52 CO -0.00 -0.49 1.64 0.40 0.21 0.00 0.00 175.17 176.92 2f77 h ILE 53 N 4.24 1.25 -0.83 0.77 2.04 -1.99 -0.08 117.51 122.92 2f77 h ILE 53 Ca -0.42 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 64.54 2f77 h ILE 53 Cb 1.21 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 2f77 h ILE 53 CO 0.81 0.34 0.51 0.11 0.00 0.00 0.00 178.15 179.92 2f77 h LYS 54 N 0.73 0.92 0.00 2.37 1.79 -1.96 -0.72 116.57 119.69 2f77 h LYS 54 Ca 0.15 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 2f77 h LYS 54 Cb 0.41 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2f77 h LYS 54 CO 0.01 0.61 -0.32 0.35 -1.08 0.00 0.00 179.45 179.02 2f77 h PHE 55 N 0.94 0.00 -0.89 -1.35 3.57 -1.83 -3.20 116.94 114.18 2f77 h PHE 55 Ca 0.36 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.87 2f77 h PHE 55 Cb 0.14 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2f77 h PHE 55 CO -0.04 0.32 0.59 2.35 -2.23 0.00 0.00 178.31 179.31 2f77 h TRP 56 N 0.00 1.11 -0.63 0.41 7.01 0.56 -1.80 115.95 122.60 2f77 h TRP 56 Ca -0.00 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2f77 h TRP 56 Cb 1.10 -0.37 -0.05 0.00 -2.10 0.00 0.00 29.16 27.74 2f77 h TRP 56 CO 0.00 0.68 0.35 0.00 -2.79 0.00 0.00 178.44 176.68 2f77 h ARG 57 N 1.18 0.63 -0.53 2.65 2.47 -1.51 0.34 114.38 119.61 2f77 h ARG 57 Ca 0.34 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.92 2f77 h ARG 57 Cb -0.08 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 2f77 h ARG 57 CO -0.08 0.42 -0.08 0.00 0.56 0.00 0.00 179.97 180.79 2f77 h ARG 58 N 0.65 0.96 -0.51 0.04 3.08 -1.55 -2.78 114.38 114.29 2f77 h ARG 58 Ca 0.28 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2f77 h ARG 58 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2f77 h ARG 58 CO -0.17 1.00 0.24 0.28 -1.07 0.00 0.00 179.97 180.25 2f77 h VAL 59 N 0.87 1.19 -0.25 2.04 2.07 -0.49 0.22 116.25 121.91 2f77 h VAL 59 Ca 0.14 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2f77 h VAL 59 Cb 0.62 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2f77 h VAL 59 CO 0.04 0.22 0.03 1.23 0.02 0.00 0.00 177.57 179.11 2f77 h GLY 60 N 0.67 0.26 1.45 2.17 0.00 -0.80 0.22 103.07 107.04 2f77 h GLY 60 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 2f77 h GLY 60 CO -0.02 -0.02 -0.05 -1.80 0.00 0.00 0.00 176.54 174.64 2f77 h ASP 61 N 0.11 0.65 0.36 0.19 1.82 -1.24 0.49 116.42 118.80 2f77 h ASP 61 Ca 0.11 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 2f77 h ASP 61 Cb 0.13 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2f77 h ASP 61 CO -0.17 0.75 -0.17 0.00 -1.61 0.00 0.00 179.24 178.04 2f77 h PHE 63 N -0.80 0.98 -0.62 0.00 -1.00 -0.56 -1.96 116.94 112.98 2f77 h PHE 63 Ca -0.05 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 2f77 h PHE 63 Cb 0.52 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 2f77 h PHE 63 CO 0.02 0.69 0.15 0.37 -1.61 0.00 0.00 178.31 177.92 2f77 h GLN 64 N 1.00 0.98 -0.61 1.51 4.15 -0.81 -1.84 115.11 119.49 2f77 h GLN 64 Ca 0.25 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2f77 h GLN 64 Cb 0.04 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2f77 h GLN 64 CO -0.04 0.87 0.30 -0.44 -1.93 0.00 0.00 178.83 177.59 2f77 h ASP 65 N 0.93 0.78 -0.27 -0.69 3.32 -0.31 -2.13 116.42 118.05 2f77 h ASP 65 Ca 0.20 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2f77 h ASP 65 Cb 0.34 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2f77 h ASP 65 CO 0.00 0.69 -0.03 1.88 -1.72 0.00 0.00 179.24 180.06 2f77 h TYR 66 N 0.83 0.66 0.37 4.55 0.05 -1.11 -0.45 116.97 121.87 2f77 h TYR 66 Ca 0.21 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2f77 h TYR 66 Cb 0.10 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.66 2f77 h TYR 66 CO -0.00 0.65 -0.18 -0.92 -1.05 0.00 0.00 178.16 176.66 2f77 h TYR 67 N 0.59 -0.46 -0.40 4.88 3.20 -0.72 0.23 116.97 124.29 2f77 h TYR 67 Ca 0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2f77 h TYR 67 Cb 0.41 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2f77 h TYR 67 CO 0.02 -0.22 0.01 -0.97 -1.64 0.00 0.00 178.16 175.35 2f77 h ASN 68 N -0.60 0.60 -0.21 -2.11 -1.24 -1.31 2.19 115.58 112.90 2f77 h ASN 68 Ca -0.05 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 56.79 2f77 h ASN 68 Cb 0.44 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2f77 h ASN 68 CO 0.08 0.67 -0.04 0.74 -1.29 0.00 0.00 177.43 177.59 2f77 h THR 69 N 0.61 1.28 0.00 -3.57 2.02 -0.82 -3.40 112.91 109.02 2f77 h THR 69 Ca 0.13 -1.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 2f77 h THR 69 Cb 0.37 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2f77 h THR 69 CO 0.01 0.31 -1.15 0.49 0.37 0.00 0.00 175.52 175.56 2f77 n PHE 70 N -4.62 0.00 0.00 3.16 3.72 0.80 -5.08 117.46 115.45 2f77 n PHE 70 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2f77 n PHE 70 Cb 0.28 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2f77 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f77 n GLY 71 N 2.66 0.91 0.29 1.37 0.00 0.74 -4.84 105.19 106.33 2f77 n GLY 71 Ca -0.11 -1.95 0.17 0.00 0.00 0.00 0.00 46.02 44.12 2f77 n GLY 71 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f77 h PRO 72 N 7.46 0.00 -0.10 1.61 0.11 -1.78 -3.06 132.00 136.23 2f77 h PRO 72 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 2f77 h PRO 72 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 2f77 h PRO 72 CO 0.00 0.05 -0.21 0.93 -0.21 0.00 0.00 178.00 178.55 2f77 h GLU 73 N 0.00 -0.28 -0.41 1.05 5.08 -1.94 1.16 114.58 119.24 2f77 h GLU 73 Ca -0.00 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2f77 h GLU 73 Cb 0.20 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2f77 h GLU 73 CO 0.01 -0.19 0.05 0.87 -1.00 0.00 0.00 179.01 178.76 2f77 h LYS 74 N -0.29 0.68 -2.51 2.33 1.79 -1.88 -3.38 116.57 113.32 2f77 h LYS 74 Ca 0.09 -0.19 -0.59 0.00 -2.18 0.00 0.00 60.65 57.78 2f77 h LYS 74 Cb 0.42 -0.08 -0.39 0.00 -1.58 0.00 0.00 32.23 30.60 2f77 h LYS 74 CO -0.26 0.73 -0.90 0.14 -1.08 0.00 0.00 179.45 178.08 2f77 s VAL 75 N -5.16 0.39 0.72 0.50 -7.23 -0.83 -4.93 120.40 103.87 2f77 s VAL 75 Ca -0.13 -2.32 -0.16 0.00 -1.81 0.00 0.00 61.98 57.56 2f77 s VAL 75 Cb 0.10 -1.29 0.03 0.00 0.56 0.00 0.00 36.38 35.79 2f77 s VAL 75 CO 0.78 -1.11 1.26 -2.84 -0.31 0.00 0.00 175.10 172.87 2f77 s PRO 76 N 0.43 2.10 0.00 4.82 0.02 0.39 -4.48 135.00 138.29 2f77 s PRO 76 Ca 0.26 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.21 2f77 s PRO 76 Cb -0.09 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2f77 s PRO 76 CO -0.10 -1.91 0.52 0.28 -0.33 0.00 0.00 177.00 175.46 2f77 n VAL 77 N -2.57 0.53 -0.17 3.83 0.31 -1.26 -1.11 118.33 117.89 2f77 n VAL 77 Ca 0.15 0.22 -0.07 0.00 -0.01 0.00 0.00 64.34 64.63 2f77 n VAL 77 Cb 0.49 -1.22 0.09 0.00 -0.91 0.00 0.00 33.84 32.29 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2f77 h THR 78 N 0.00 1.26 -0.75 2.52 1.35 -1.95 -2.70 112.91 112.63 2f77 h THR 78 Ca 0.00 -1.06 0.08 0.00 -0.55 0.00 0.00 66.41 64.87 2f77 h THR 78 Cb 0.18 0.79 -0.06 0.00 -1.73 0.00 0.00 68.15 67.32 2f77 h THR 78 CO 0.00 0.39 0.43 0.00 -0.25 0.00 0.00 175.52 176.08 2f77 h ALA 79 N 1.13 1.04 -0.35 6.62 0.00 -1.44 0.69 119.26 126.94 2f77 h ALA 79 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2f77 h ALA 79 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2f77 h ALA 79 CO 0.02 0.09 0.16 0.74 0.00 0.00 0.00 179.25 180.26 2f77 h PHE 80 N 0.75 0.52 -0.31 0.00 -1.00 -1.68 0.18 116.94 115.40 2f77 h PHE 80 Ca 0.35 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.10 2f77 h PHE 80 Cb 0.27 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2f77 h PHE 80 CO -0.07 0.45 0.18 0.77 -1.61 0.00 0.00 178.31 178.03 2f77 h SER 81 N 0.43 0.37 -0.53 2.17 0.02 -1.06 0.54 113.55 115.49 2f77 h SER 81 Ca 0.12 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2f77 h SER 81 Cb 0.14 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2f77 h SER 81 CO -0.01 0.32 0.15 1.88 -1.14 0.00 0.00 176.83 178.03 2f77 h TYR 82 N 0.39 0.91 -0.30 3.45 0.05 -0.68 -2.14 116.97 118.65 2f77 h TYR 82 Ca 0.11 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 2f77 h TYR 82 Cb 0.02 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 2f77 h TYR 82 CO -0.04 0.75 -0.19 2.35 -1.05 0.00 0.00 178.16 179.98 2f77 h TRP 83 N 0.86 0.61 -0.52 4.88 2.91 -0.08 -2.63 115.95 121.97 2f77 h TRP 83 Ca 0.19 -0.12 0.03 0.00 1.13 0.00 0.00 58.89 60.12 2f77 h TRP 83 Cb 0.29 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 2f77 h TRP 83 CO 0.02 0.71 0.29 -0.97 -1.03 0.00 0.00 178.44 177.46 2f77 h ASN 84 N 0.50 0.45 -0.67 2.65 -0.73 -0.23 0.20 115.58 117.75 2f77 h ASN 84 Ca 0.08 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 2f77 h ASN 84 Cb 0.61 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 39.10 2f77 h ASN 84 CO 0.04 0.32 0.30 -0.07 -0.37 0.00 0.00 177.43 177.65 2f77 h LEU 85 N 0.57 0.89 -0.42 0.34 3.38 -1.35 -2.45 115.31 116.28 2f77 h LEU 85 Ca 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2f77 h LEU 85 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2f77 h LEU 85 CO -0.12 0.79 0.19 0.40 0.09 0.00 0.00 178.44 179.79 2f77 h ILE 86 N 0.93 1.18 -0.70 1.22 1.08 -0.94 -0.61 117.51 119.67 2f77 h ILE 86 Ca 0.23 -0.53 0.10 0.00 -0.39 0.00 0.00 64.86 64.27 2f77 h ILE 86 Cb 0.15 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 2f77 h ILE 86 CO -0.02 0.20 0.33 0.50 -0.69 0.00 0.00 178.15 178.47 2f77 h LYS 87 N 0.53 0.54 -0.23 2.37 3.64 -0.30 0.81 116.57 123.93 2f77 h LYS 87 Ca 0.14 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2f77 h LYS 87 Cb 0.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2f77 h LYS 87 CO -0.02 0.36 -0.37 0.93 -2.27 0.00 0.00 179.45 178.08 2f77 h GLU 88 N 0.56 0.52 -0.06 1.90 5.08 -1.06 0.96 114.58 122.46 2f77 h GLU 88 Ca 0.35 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2f77 h GLU 88 Cb 0.40 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2f77 h GLU 88 CO -0.29 0.81 0.01 1.25 -1.00 0.00 0.00 179.01 179.79 2f77 h LEU 89 N 0.43 0.10 -0.18 1.33 5.85 0.58 0.13 115.31 123.55 2f77 h LEU 89 Ca 0.04 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.37 2f77 h LEU 89 Cb 0.85 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2f77 h LEU 89 CO 0.07 0.33 -0.42 0.16 -0.34 0.00 0.00 178.44 178.25 2f77 h ILE 90 N -0.14 1.33 -0.15 4.05 3.07 -0.90 -1.15 117.51 123.63 2f77 h ILE 90 Ca 0.02 -1.66 -0.00 0.00 1.55 0.00 0.00 64.86 64.76 2f77 h ILE 90 Cb 0.28 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 38.74 2f77 h ILE 90 CO 0.00 0.51 0.08 0.44 -1.05 0.00 0.00 178.15 178.13 2f77 h ASP 91 N 0.27 0.19 -0.41 2.16 3.32 -0.80 -2.92 116.42 118.23 2f77 h ASP 91 Ca -0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2f77 h ASP 91 Cb 1.02 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2f77 h ASP 91 CO 0.09 0.24 0.14 0.11 -1.72 0.00 0.00 179.24 178.10 2f77 h LYS 92 N 0.12 0.63 -6.78 3.56 1.57 -0.78 -3.42 116.57 111.48 2f77 h LYS 92 Ca 0.05 -0.13 -0.49 0.00 -1.87 0.00 0.00 60.65 58.22 2f77 h LYS 92 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2f77 h LYS 92 CO -0.01 0.61 0.29 0.21 -0.57 0.00 0.00 179.45 179.98 2f77 s LYS 93 N -5.47 4.57 0.28 3.15 2.20 -0.44 -5.01 119.74 119.03 2f77 s LYS 93 Ca -0.13 1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 56.45 2f77 s LYS 93 Cb 0.10 -2.94 -0.10 0.00 -1.51 0.00 0.00 37.83 33.39 2f77 s LYS 93 CO 0.76 0.37 1.24 -1.21 -0.36 0.00 0.00 175.35 176.15 2f77 s GLU 94 N -1.81 4.46 0.16 4.03 0.41 -1.26 -4.74 118.70 119.95 2f77 s GLU 94 Ca 0.46 2.04 0.01 0.00 -0.41 0.00 0.00 54.97 57.07 2f77 s GLU 94 Cb -0.20 -3.14 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 2f77 s GLU 94 CO 0.25 -0.08 0.01 0.54 -0.49 0.00 0.00 175.26 175.49 2f77 s VAL 95 N -0.79 0.54 -0.62 2.63 0.11 -1.26 -5.09 120.40 115.92 2f77 s VAL 95 Ca 0.50 -1.96 0.04 0.00 -2.93 0.00 0.00 61.98 57.63 2f77 s VAL 95 Cb -0.36 -2.08 0.16 0.00 -1.53 0.00 0.00 36.38 32.57 2f77 s VAL 95 CO 0.45 -0.49 0.42 0.21 -3.33 0.00 0.00 175.10 172.35 2f77 s ASN 96 N -3.14 4.32 0.49 3.54 3.04 -1.26 -5.04 114.94 116.89 2f77 s ASN 96 Ca 0.23 -3.53 0.00 0.00 0.04 0.00 0.00 52.86 49.60 2f77 s ASN 96 Cb 0.06 -1.48 0.00 0.00 -1.54 0.00 0.00 41.25 38.30 2f77 s ASN 96 CO 0.03 -0.13 0.00 -0.81 -3.04 0.00 0.00 177.10 173.15 2f77 n PRO 97 N 2.39 0.67 -0.16 0.43 -0.04 -1.26 -4.98 135.00 132.05 2f77 n PRO 97 Ca 0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2f77 n PRO 97 Cb 0.36 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2f77 n PRO 97 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2f77 h GLN 98 N 0.00 0.73 -4.93 0.54 4.20 -1.98 -3.41 115.11 110.25 2f77 h GLN 98 Ca 0.00 -0.18 -0.60 0.00 0.06 0.00 0.00 58.65 57.93 2f77 h GLN 98 Cb 0.00 -0.10 -0.33 0.00 0.30 0.00 0.00 27.48 27.35 2f77 h GLN 98 CO 0.00 0.73 -0.85 0.08 -0.67 0.00 0.00 178.83 178.12 2f77 s VAL 99 N -5.29 1.62 -2.00 -0.54 1.01 -1.26 -5.24 120.40 108.69 2f77 s VAL 99 Ca -0.13 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2f77 s VAL 99 Cb 0.11 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 35.11 2f77 s VAL 99 CO 0.78 0.46 0.60 0.23 0.00 0.00 0.00 175.10 177.17