#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 0.48 3.31 3.03 0.00 -1.26 -5.03 105.19 105.72 2f77 n GLY 2 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.59 1.23 0.34 1.61 -0.21 -1.26 -5.11 119.66 114.67 2f77 s GLN 3 Ca 0.00 -1.54 -0.29 0.00 0.02 0.00 0.00 55.36 53.55 2f77 s GLN 3 Cb 0.00 -0.89 -0.12 0.00 1.00 0.00 0.00 33.01 33.01 2f77 s GLN 3 CO 0.00 0.12 1.47 0.39 -2.12 0.00 0.00 175.29 175.14 2f77 n GLU 4 N -0.31 2.51 -3.32 2.91 -0.58 -1.26 -4.94 120.64 115.65 2f77 n GLU 4 Ca -0.09 0.88 -0.45 0.00 -0.42 0.00 0.00 57.16 57.09 2f77 n GLU 4 Cb 0.61 -2.59 -0.07 0.00 -0.57 0.00 0.00 31.44 28.82 2f77 n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2f77 s LEU 5 N -1.24 5.66 0.85 -4.62 1.43 -1.26 -5.02 118.68 114.48 2f77 s LEU 5 Ca 0.58 -1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.16 2f77 s LEU 5 Cb -0.52 -2.23 0.11 0.00 0.03 0.00 0.00 46.19 43.58 2f77 s LEU 5 CO 0.58 -0.77 1.20 -0.94 0.23 0.00 0.00 176.35 176.65 2f77 s SER 6 N 2.94 4.13 0.26 2.29 1.04 -1.26 -4.72 113.70 118.37 2f77 s SER 6 Ca 0.06 0.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 2f77 s SER 6 Cb -0.25 -1.15 0.41 0.00 0.10 0.00 0.00 66.02 65.12 2f77 s SER 6 CO 0.06 -2.14 1.85 1.56 0.98 0.00 0.00 173.24 175.56 2f77 h GLN 7 N -1.22 1.00 -0.22 4.02 4.20 -1.99 0.15 115.11 121.05 2f77 h GLN 7 Ca -0.46 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.15 2f77 h GLN 7 Cb 1.32 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 2f77 h GLN 7 CO 0.61 0.66 -0.02 1.25 -0.67 0.00 0.00 178.83 180.66 2f77 h HIS 8 N 1.03 0.45 -0.71 2.96 2.76 -2.00 -2.29 115.15 117.35 2f77 h HIS 8 Ca 0.42 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.47 2f77 h HIS 8 Cb 0.25 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 2f77 h HIS 8 CO -0.02 0.61 0.31 0.93 -1.30 0.00 0.00 177.93 178.46 2f77 h GLU 9 N 0.16 1.03 -0.83 5.26 5.08 -1.72 -2.24 114.58 121.32 2f77 h GLU 9 Ca 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2f77 h GLU 9 Cb 0.44 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2f77 h GLU 9 CO 0.02 0.82 0.46 0.00 -1.00 0.00 0.00 179.01 179.30 2f77 h ARG 10 N 1.02 1.16 -0.65 2.33 3.08 -0.55 -1.79 114.38 118.97 2f77 h ARG 10 Ca 0.24 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2f77 h ARG 10 Cb 0.15 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2f77 h ARG 10 CO -0.03 0.85 0.43 -0.92 -1.07 0.00 0.00 179.97 179.23 2f77 h TYR 11 N 1.16 0.82 -0.55 3.04 3.20 -0.82 -2.01 116.97 121.80 2f77 h TYR 11 Ca 0.29 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2f77 h TYR 11 Cb 0.02 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2f77 h TYR 11 CO 0.00 0.51 0.33 0.28 -1.64 0.00 0.00 178.16 177.64 2f77 h VAL 12 N 0.88 1.17 -0.40 1.81 2.07 -1.04 0.40 116.25 121.15 2f77 h VAL 12 Ca 0.24 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2f77 h VAL 12 Cb -0.10 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2f77 h VAL 12 CO -0.05 0.18 0.07 -0.08 0.02 0.00 0.00 177.57 177.71 2f77 h GLU 13 N 0.74 0.19 -0.41 1.57 4.81 -1.11 0.22 114.58 120.59 2f77 h GLU 13 Ca 0.20 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 2f77 h GLU 13 Cb -0.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2f77 h GLU 13 CO -0.04 0.13 -0.06 0.37 -0.73 0.00 0.00 179.01 178.68 2f77 h GLN 14 N 0.20 0.70 -0.67 1.92 4.15 -1.23 -2.45 115.11 117.72 2f77 h GLN 14 Ca 0.19 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2f77 h GLN 14 Cb 0.24 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2f77 h GLN 14 CO -0.26 0.76 0.28 1.25 -1.93 0.00 0.00 178.83 178.93 2f77 h LEU 15 N 0.65 0.92 -0.60 -2.39 5.85 0.71 -2.54 115.31 117.90 2f77 h LEU 15 Ca 0.12 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2f77 h LEU 15 Cb 0.50 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2f77 h LEU 15 CO 0.03 0.83 0.36 0.50 -0.34 0.00 0.00 178.44 179.81 2f77 h LYS 16 N 0.95 0.82 -0.45 1.25 3.64 -0.25 -0.19 116.57 122.34 2f77 h LYS 16 Ca 0.23 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 2f77 h LYS 16 Cb 0.19 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2f77 h LYS 16 CO -0.02 0.60 0.17 1.96 -2.27 0.00 0.00 179.45 179.88 2f77 h GLN 17 N 0.81 0.33 -0.66 1.90 4.20 -1.09 0.38 115.11 120.99 2f77 h GLN 17 Ca 0.22 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 2f77 h GLN 17 Cb -0.01 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2f77 h GLN 17 CO -0.04 0.22 0.18 0.00 -0.67 0.00 0.00 178.83 178.52 2f77 h ALA 18 N 1.29 0.87 -0.45 3.87 0.00 -1.05 -2.44 119.26 121.34 2f77 h ALA 18 Ca 0.21 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2f77 h ALA 18 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2f77 h ALA 18 CO -0.21 0.57 0.01 -0.07 0.00 0.00 0.00 179.25 179.54 2f77 h LEU 19 N 0.97 0.70 -1.05 0.00 3.38 0.02 -2.38 115.31 116.96 2f77 h LEU 19 Ca 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2f77 h LEU 19 Cb 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2f77 h LEU 19 CO -0.00 0.77 0.37 0.50 0.09 0.00 0.00 178.44 180.16 2f77 h LYS 20 N 0.69 1.04 -0.22 1.13 3.64 0.16 -1.59 116.57 121.41 2f77 h LYS 20 Ca 0.14 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2f77 h LYS 20 Cb 0.42 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2f77 h LYS 20 CO 0.02 0.79 -0.17 1.79 -2.27 0.00 0.00 179.45 179.60 2f77 h THR 21 N 1.04 1.23 0.00 1.00 1.35 -1.02 -1.54 112.91 114.97 2f77 h THR 21 Ca 0.26 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2f77 h THR 21 Cb 0.08 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2f77 h THR 21 CO -0.04 0.33 0.00 0.03 -0.25 0.00 0.00 175.52 175.59 2f77 h ARG 22 N 0.35 0.00 0.00 4.72 3.08 -1.00 -3.45 114.38 118.08 2f77 h ARG 22 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2f77 h ARG 22 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2f77 h ARG 22 CO 0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2f77 n GLY 23 N 0.10 0.99 3.21 0.04 0.00 -0.59 -5.12 105.19 103.82 2f77 n GLY 23 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.60 1.89 -0.39 1.61 1.01 -0.93 -4.98 120.40 118.02 2f77 s VAL 24 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2f77 s VAL 24 Cb 0.00 -1.62 0.13 0.00 0.00 0.00 0.00 36.38 34.89 2f77 s VAL 24 CO 0.00 0.53 0.21 -0.54 0.00 0.00 0.00 175.10 175.30 2f77 s LYS 25 N 0.11 0.92 0.15 2.72 1.02 -1.26 -4.19 119.74 119.21 2f77 s LYS 25 Ca -0.10 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 54.31 2f77 s LYS 25 Cb -0.15 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 2f77 s LYS 25 CO 0.05 -1.15 -0.05 0.14 -0.92 0.00 0.00 175.35 173.42 2f77 s VAL 26 N 0.81 0.86 0.38 3.17 -7.23 -1.26 -4.98 120.40 112.16 2f77 s VAL 26 Ca 0.17 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.10 2f77 s VAL 26 Cb -0.23 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 2f77 s VAL 26 CO -0.03 -0.64 0.97 -0.54 -0.31 0.00 0.00 175.10 174.54 2f77 s LYS 27 N -3.84 4.35 0.36 4.82 1.02 -1.26 -4.94 119.74 120.25 2f77 s LYS 27 Ca 0.19 1.27 0.05 0.00 0.02 0.00 0.00 55.97 57.50 2f77 s LYS 27 Cb 0.05 -2.49 0.67 0.00 -0.52 0.00 0.00 37.83 35.54 2f77 s LYS 27 CO 0.01 0.07 1.93 -0.92 -0.92 0.00 0.00 175.35 175.52 2f77 h TYR 28 N 2.51 0.56 -0.57 3.18 3.20 -2.01 -1.71 116.97 122.13 2f77 h TYR 28 Ca -0.48 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.42 2f77 h TYR 28 Cb 1.19 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2f77 h TYR 28 CO 0.61 0.48 0.38 0.00 -1.64 0.00 0.00 178.16 177.99 2f77 h ALA 29 N 1.57 1.85 -0.92 1.82 0.00 -2.00 -0.82 119.26 120.76 2f77 h ALA 29 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2f77 h ALA 29 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2f77 h ALA 29 CO -0.00 0.05 0.52 -0.44 0.00 0.00 0.00 179.25 179.38 2f77 h ASP 30 N 0.53 1.13 -0.55 0.00 3.32 -1.69 -1.14 116.42 118.02 2f77 h ASP 30 Ca 0.25 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2f77 h ASP 30 Cb 0.29 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2f77 h ASP 30 CO -0.07 0.90 0.36 -0.07 -1.72 0.00 0.00 179.24 178.63 2f77 h LEU 31 N 1.28 0.65 -0.64 1.55 -0.00 -1.18 0.76 115.31 117.73 2f77 h LEU 31 Ca 0.33 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 58.14 2f77 h LEU 31 Cb -0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.47 2f77 h LEU 31 CO -0.06 0.49 0.26 -0.07 -0.00 0.00 0.00 178.44 179.06 2f77 h LEU 32 N 0.75 0.88 -1.21 1.67 3.38 -1.22 -2.26 115.31 117.29 2f77 h LEU 32 Ca 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2f77 h LEU 32 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2f77 h LEU 32 CO -0.04 0.80 -0.12 0.11 0.09 0.00 0.00 178.44 179.28 2f77 h LYS 33 N 0.89 0.40 -0.42 1.13 1.57 -0.66 -2.68 116.57 116.80 2f77 h LYS 33 Ca 0.21 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2f77 h LYS 33 Cb 0.20 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2f77 h LYS 33 CO -0.02 0.53 0.26 0.35 -0.57 0.00 0.00 179.45 180.00 2f77 h PHE 34 N 0.38 0.49 -0.48 -1.35 3.57 -0.27 0.27 116.94 119.56 2f77 h PHE 34 Ca 0.07 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2f77 h PHE 34 Cb 0.44 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2f77 h PHE 34 CO 0.01 0.30 0.23 0.74 -2.23 0.00 0.00 178.31 177.36 2f77 h PHE 35 N 0.53 0.68 -0.44 0.41 0.04 -1.25 0.15 116.94 117.06 2f77 h PHE 35 Ca 0.16 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2f77 h PHE 35 Cb -0.02 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 2f77 h PHE 35 CO -0.06 0.54 0.16 -0.44 -0.60 0.00 0.00 178.31 177.90 2f77 h ASP 36 N 0.62 0.63 -0.31 2.17 3.32 -1.13 -0.34 116.42 121.39 2f77 h ASP 36 Ca 0.16 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2f77 h ASP 36 Cb 0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2f77 h ASP 36 CO -0.02 0.65 0.12 0.15 -1.72 0.00 0.00 179.24 178.42 2f77 h PHE 37 N 0.57 0.47 -0.53 4.55 3.04 -0.16 0.03 116.94 124.92 2f77 h PHE 37 Ca 0.15 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2f77 h PHE 37 Cb 0.23 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 2f77 h PHE 37 CO 0.01 0.45 0.34 0.28 -2.02 0.00 0.00 178.31 177.37 2f77 h VAL 38 N 0.35 1.15 -0.13 1.41 2.07 -0.51 -1.64 116.25 118.94 2f77 h VAL 38 Ca 0.10 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2f77 h VAL 38 Cb 0.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2f77 h VAL 38 CO -0.01 0.15 -0.19 0.11 0.02 0.00 0.00 177.57 177.65 2f77 h LYS 39 N 0.72 0.22 0.00 1.57 1.57 -0.82 -1.51 116.57 118.33 2f77 h LYS 39 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2f77 h LYS 39 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2f77 h LYS 39 CO -0.04 0.41 0.00 -0.44 -0.57 0.00 0.00 179.45 178.81 2f77 h ASP 40 N 0.21 0.00 -0.17 0.86 3.32 -0.05 -2.42 116.42 118.18 2f77 h ASP 40 Ca 0.04 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.13 2f77 h ASP 40 Cb 0.46 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2f77 h ASP 40 CO 0.03 0.00 -0.14 0.74 -1.72 0.00 0.00 179.24 178.15 2f77 h THR 41 N 0.00 0.62 0.00 0.35 2.02 -0.77 -3.00 112.91 112.13 2f77 h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f77 h THR 41 Cb 0.41 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2f77 h THR 41 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 2f77 h PRO 43 N -0.04 -0.02 0.00 0.00 0.11 -1.67 -3.42 132.00 126.95 2f77 h PRO 43 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2f77 h PRO 43 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2f77 h PRO 43 CO 0.00 -0.01 0.00 0.91 -0.21 0.00 0.00 178.00 178.69 2f77 n TRP 44 N -5.46 0.00 0.00 0.65 8.01 -1.02 -5.01 117.44 114.60 2f77 n TRP 44 Ca 0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 2f77 n TRP 44 Cb 0.39 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.69 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 -0.10 -1.71 -5.99 7.35 -1.13 -4.70 117.46 111.18 2f77 n PHE 45 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 2f77 n PHE 45 Cb 0.00 0.02 -0.03 0.00 0.35 0.00 0.00 39.48 39.82 2f77 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2f77 n PRO 46 N -0.96 2.52 -4.44 -7.13 -0.02 -1.26 -4.88 135.00 118.83 2f77 n PRO 46 Ca 0.00 0.90 -0.24 0.00 -2.02 0.00 0.00 63.50 62.14 2f77 n PRO 46 Cb 0.00 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 30.70 2f77 n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2f77 s GLN 47 N 0.23 1.75 0.68 -0.52 -0.21 -1.26 -4.84 119.66 115.49 2f77 s GLN 47 Ca 0.70 -1.69 -0.12 0.00 0.02 0.00 0.00 55.36 54.27 2f77 s GLN 47 Cb -0.55 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 31.62 2f77 s GLN 47 CO 0.42 0.34 1.06 -1.21 -2.12 0.00 0.00 175.29 173.79 2f77 s GLU 48 N -3.43 2.96 0.00 2.91 2.02 -1.26 -4.95 118.70 116.95 2f77 s GLU 48 Ca 0.29 1.05 0.25 0.00 0.02 0.00 0.00 54.97 56.58 2f77 s GLU 48 Cb -0.06 -1.99 0.52 0.00 0.10 0.00 0.00 34.13 32.70 2f77 s GLU 48 CO 0.15 -1.09 1.42 0.41 0.02 0.00 0.00 175.26 176.17 2f77 n GLY 49 N -1.63 -0.27 3.12 -1.39 0.00 -1.26 -4.79 105.19 98.97 2f77 n GLY 49 Ca 0.08 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.42 2.13 -0.02 2.61 2.01 -1.26 -4.60 115.64 114.09 2f77 s THR 50 Ca 0.24 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2f77 s THR 50 Cb 0.19 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.75 2f77 s THR 50 CO 0.51 0.44 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.33 2f77 s ILE 51 N 1.26 0.36 0.15 1.82 -1.16 -1.26 -5.11 121.20 117.25 2f77 s ILE 51 Ca 0.03 -0.11 -0.31 0.00 -0.51 0.00 0.00 60.65 59.75 2f77 s ILE 51 Cb -0.14 -0.36 -0.09 0.00 0.61 0.00 0.00 42.46 42.48 2f77 s ILE 51 CO -0.11 0.14 1.45 -0.62 -2.81 0.00 0.00 174.94 172.98 2f77 s ASP 52 N 0.40 6.74 0.19 4.50 -1.08 -1.26 -4.90 116.67 121.26 2f77 s ASP 52 Ca -0.04 2.45 -0.07 0.00 -0.52 0.00 0.00 52.55 54.37 2f77 s ASP 52 Cb -0.08 -2.59 0.10 0.00 -1.46 0.00 0.00 42.92 38.89 2f77 s ASP 52 CO -0.00 -0.70 1.59 0.40 0.52 0.00 0.00 175.17 176.97 2f77 h ILE 53 N 4.09 1.27 -0.70 4.11 2.04 -2.00 -1.93 117.51 124.39 2f77 h ILE 53 Ca -0.43 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.04 2f77 h ILE 53 Cb 1.21 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2f77 h ILE 53 CO 0.87 0.47 0.37 0.11 0.00 0.00 0.00 178.15 179.96 2f77 h LYS 54 N 0.75 0.98 0.00 2.37 1.79 -1.97 -1.66 116.57 118.83 2f77 h LYS 54 Ca 0.10 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2f77 h LYS 54 Cb 0.78 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2f77 h LYS 54 CO 0.06 0.73 -0.34 0.35 -1.08 0.00 0.00 179.45 179.17 2f77 h PHE 55 N 0.98 0.00 -0.74 -1.35 3.57 -1.89 -3.16 116.94 114.36 2f77 h PHE 55 Ca 0.25 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.81 2f77 h PHE 55 Cb 0.05 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2f77 h PHE 55 CO 0.01 0.34 0.49 2.35 -2.23 0.00 0.00 178.31 179.27 2f77 h TRP 56 N 0.00 0.78 -0.83 0.41 7.01 -0.49 -1.10 115.95 121.73 2f77 h TRP 56 Ca -0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 2f77 h TRP 56 Cb 1.08 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 2f77 h TRP 56 CO 0.00 0.41 0.51 0.00 -2.79 0.00 0.00 178.44 176.57 2f77 h ARG 57 N 0.77 1.11 -0.35 2.65 2.47 -1.56 -1.01 114.38 118.47 2f77 h ARG 57 Ca 0.32 -0.09 -0.13 0.00 -1.26 0.00 0.00 59.98 58.82 2f77 h ARG 57 Cb 0.26 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2f77 h ARG 57 CO -0.11 0.77 -0.30 0.00 0.56 0.00 0.00 179.97 180.89 2f77 h ARG 58 N 1.13 0.74 -0.46 0.04 3.08 -1.39 -2.48 114.38 115.04 2f77 h ARG 58 Ca 0.30 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2f77 h ARG 58 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2f77 h ARG 58 CO -0.06 0.95 0.19 0.28 -1.07 0.00 0.00 179.97 180.26 2f77 h VAL 59 N 0.63 1.20 -0.13 2.04 2.07 -0.68 0.22 116.25 121.60 2f77 h VAL 59 Ca 0.07 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2f77 h VAL 59 Cb 0.83 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2f77 h VAL 59 CO 0.07 0.23 0.07 1.23 0.02 0.00 0.00 177.57 179.20 2f77 h GLY 60 N 0.59 0.20 1.04 2.17 0.00 -1.09 0.27 103.07 106.25 2f77 h GLY 60 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2f77 h GLY 60 CO -0.01 0.08 0.08 -1.80 0.00 0.00 0.00 176.54 174.89 2f77 h ASP 61 N 0.13 0.96 -0.48 0.19 3.58 -1.27 -0.64 116.42 118.88 2f77 h ASP 61 Ca 0.05 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 2f77 h ASP 61 Cb 0.06 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2f77 h ASP 61 CO -0.01 0.99 0.07 0.00 -2.88 0.00 0.00 179.24 177.41 2f77 h PHE 63 N 0.67 1.19 -0.74 0.00 -1.00 -0.27 -2.59 116.94 114.20 2f77 h PHE 63 Ca 0.15 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 2f77 h PHE 63 Cb 0.40 -0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 2f77 h PHE 63 CO 0.03 1.02 0.42 0.37 -1.61 0.00 0.00 178.31 178.53 2f77 h GLN 64 N 1.02 1.02 -0.49 1.51 4.15 -0.89 -0.50 115.11 120.93 2f77 h GLN 64 Ca 0.19 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2f77 h GLN 64 Cb 0.51 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2f77 h GLN 64 CO 0.02 0.74 0.19 -0.44 -1.93 0.00 0.00 178.83 177.42 2f77 h ASP 65 N 1.03 0.67 0.24 -0.69 3.32 -1.01 -2.36 116.42 117.63 2f77 h ASP 65 Ca 0.26 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 2f77 h ASP 65 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2f77 h ASP 65 CO -0.04 0.66 -0.36 1.88 -1.72 0.00 0.00 179.24 179.65 2f77 h TYR 66 N 0.65 0.20 0.49 4.55 0.05 -1.08 -1.40 116.97 120.42 2f77 h TYR 66 Ca 0.16 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2f77 h TYR 66 Cb 0.20 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2f77 h TYR 66 CO 0.00 0.52 -0.25 -0.92 -1.05 0.00 0.00 178.16 176.47 2f77 h TYR 67 N 0.15 -0.65 -0.24 4.88 3.20 -0.58 0.23 116.97 123.96 2f77 h TYR 67 Ca 0.02 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2f77 h TYR 67 Cb 0.72 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2f77 h TYR 67 CO 0.01 -0.40 -0.33 -0.97 -1.64 0.00 0.00 178.16 174.83 2f77 h ASN 68 N -0.68 0.51 -0.14 -2.11 -1.24 -1.44 1.71 115.58 112.20 2f77 h ASN 68 Ca -0.06 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 56.73 2f77 h ASN 68 Cb 0.53 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2f77 h ASN 68 CO 0.10 0.81 0.03 0.74 -1.29 0.00 0.00 177.43 177.81 2f77 h THR 69 N 0.42 1.21 0.00 -3.57 2.02 -0.95 -3.39 112.91 108.65 2f77 h THR 69 Ca 0.05 -0.68 -0.15 0.00 0.77 0.00 0.00 66.41 66.41 2f77 h THR 69 Cb 0.78 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2f77 h THR 69 CO 0.06 0.20 -1.35 0.49 0.37 0.00 0.00 175.52 175.29 2f77 n PHE 70 N -4.82 0.00 -0.19 3.16 3.72 0.78 -5.08 117.46 115.03 2f77 n PHE 70 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2f77 n PHE 70 Cb 0.17 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 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 2.37 0.89 0.12 1.37 0.00 0.58 -4.85 105.19 105.67 2f77 n GLY 71 Ca -0.19 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.09 2f77 n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f77 n PRO 72 N 0.00 0.20 0.02 1.61 -0.04 -1.26 -3.42 135.00 132.11 2f77 n PRO 72 Ca 0.00 0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2f77 n PRO 72 Cb 0.00 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 31.55 2f77 n PRO 72 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2f77 h GLU 73 N 0.00 0.03 -0.34 0.54 5.08 -1.93 0.32 114.58 118.27 2f77 h GLU 73 Ca 0.00 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2f77 h GLU 73 Cb 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2f77 h GLU 73 CO 0.00 0.12 -0.05 0.87 -1.00 0.00 0.00 179.01 178.96 2f77 h LYS 74 N -0.08 0.64 -1.89 2.33 1.79 -1.90 -3.40 116.57 114.05 2f77 h LYS 74 Ca 0.01 -0.23 -0.37 0.00 -2.18 0.00 0.00 60.65 57.88 2f77 h LYS 74 Cb 0.10 -0.05 -0.30 0.00 -1.58 0.00 0.00 32.23 30.41 2f77 h LYS 74 CO -0.00 0.79 -0.69 0.14 -1.08 0.00 0.00 179.45 178.60 2f77 s VAL 75 N -4.87 -0.33 0.59 0.50 -7.23 -1.13 -4.92 120.40 103.01 2f77 s VAL 75 Ca -0.13 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2f77 s VAL 75 Cb 0.09 -0.65 0.13 0.00 0.56 0.00 0.00 36.38 36.51 2f77 s VAL 75 CO 0.79 -0.59 0.80 -0.81 -0.31 0.00 0.00 175.10 174.98 2f77 n PRO 76 N 4.03 -0.72 0.32 4.82 -0.04 0.11 -4.54 135.00 138.98 2f77 n PRO 76 Ca 0.13 -1.30 0.21 0.00 -0.04 0.00 0.00 63.50 62.51 2f77 n PRO 76 Cb 0.46 -0.81 1.11 0.00 -0.04 0.00 0.00 33.50 34.22 2f77 n PRO 76 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2f77 h VAL 77 N -1.40 0.00 -0.40 0.52 2.07 -1.99 -1.67 116.25 113.38 2f77 h VAL 77 Ca -0.26 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2f77 h VAL 77 Cb 0.73 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2f77 h VAL 77 CO 0.19 0.00 0.26 0.71 0.02 0.00 0.00 177.57 178.75 2f77 h THR 78 N 0.00 1.08 -0.26 2.57 1.35 -1.95 -2.19 112.91 113.51 2f77 h THR 78 Ca 0.00 -0.17 0.05 0.00 -0.55 0.00 0.00 66.41 65.73 2f77 h THR 78 Cb 0.08 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 66.99 2f77 h THR 78 CO 0.00 0.09 -0.01 0.00 -0.25 0.00 0.00 175.52 175.35 2f77 h ALA 79 N 1.76 0.22 -0.81 6.62 0.00 -1.64 -0.13 119.26 125.29 2f77 h ALA 79 Ca 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2f77 h ALA 79 Cb -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2f77 h ALA 79 CO -0.03 -0.43 0.44 0.74 0.00 0.00 0.00 179.25 179.97 2f77 h PHE 80 N 0.07 1.11 -0.43 0.00 0.04 -1.58 -0.93 116.94 115.22 2f77 h PHE 80 Ca 0.13 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.88 2f77 h PHE 80 Cb 0.17 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 2f77 h PHE 80 CO -0.21 0.78 0.26 1.03 -0.60 0.00 0.00 178.31 179.56 2f77 h SER 81 N 1.12 0.43 -0.45 2.17 0.87 -0.99 0.26 113.55 116.96 2f77 h SER 81 Ca 0.28 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2f77 h SER 81 Cb 0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2f77 h SER 81 CO -0.05 0.31 0.13 1.88 -0.53 0.00 0.00 176.83 178.57 2f77 h TYR 82 N 0.53 0.74 -0.45 2.24 0.05 -0.64 -2.59 116.97 116.84 2f77 h TYR 82 Ca 0.17 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 2f77 h TYR 82 Cb -0.01 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 2f77 h TYR 82 CO -0.06 0.67 0.04 2.35 -1.05 0.00 0.00 178.16 180.11 2f77 h TRP 83 N 0.60 0.75 -0.77 4.88 2.91 -0.72 -2.47 115.95 121.13 2f77 h TRP 83 Ca 0.14 -0.08 0.09 0.00 1.13 0.00 0.00 58.89 60.17 2f77 h TRP 83 Cb 0.29 -0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 28.66 2f77 h TRP 83 CO 0.02 0.68 0.43 -0.91 -1.03 0.00 0.00 178.44 177.62 2f77 h ASN 84 N 0.68 0.60 -0.60 2.65 2.35 -0.11 0.30 115.58 121.46 2f77 h ASN 84 Ca 0.14 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 2f77 h ASN 84 Cb 0.36 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2f77 h ASN 84 CO 0.01 0.35 0.07 -0.07 -1.65 0.00 0.00 177.43 176.14 2f77 h LEU 85 N 0.73 0.99 -0.57 1.61 3.38 -1.27 -2.76 115.31 117.42 2f77 h LEU 85 Ca 0.37 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2f77 h LEU 85 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2f77 h LEU 85 CO -0.24 1.02 0.16 0.40 0.09 0.00 0.00 178.44 179.87 2f77 h ILE 86 N 0.93 1.24 -0.91 1.22 1.08 -0.80 -1.70 117.51 118.56 2f77 h ILE 86 Ca 0.18 -0.84 0.11 0.00 -0.39 0.00 0.00 64.86 63.91 2f77 h ILE 86 Cb 0.47 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 34.85 2f77 h ILE 86 CO 0.02 0.31 0.55 0.50 -0.69 0.00 0.00 178.15 178.84 2f77 h LYS 87 N 0.81 0.85 -0.29 2.37 3.64 -0.24 0.81 116.57 124.53 2f77 h LYS 87 Ca 0.18 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 2f77 h LYS 87 Cb 0.31 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2f77 h LYS 87 CO -0.00 0.57 -0.50 0.93 -2.27 0.00 0.00 179.45 178.18 2f77 h GLU 88 N 0.88 0.80 -0.03 1.90 5.08 -1.20 0.73 114.58 122.74 2f77 h GLU 88 Ca 0.45 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2f77 h GLU 88 Cb 0.43 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2f77 h GLU 88 CO -0.26 1.10 0.01 1.25 -1.00 0.00 0.00 179.01 180.12 2f77 h LEU 89 N 0.63 0.05 -0.31 1.33 5.85 -0.22 0.47 115.31 123.09 2f77 h LEU 89 Ca 0.03 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2f77 h LEU 89 Cb 1.08 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2f77 h LEU 89 CO 0.11 0.20 -0.39 0.16 -0.34 0.00 0.00 178.44 178.18 2f77 h ILE 90 N -0.11 1.29 -0.30 4.05 3.07 -0.92 -1.78 117.51 122.81 2f77 h ILE 90 Ca 0.01 -1.57 0.00 0.00 1.55 0.00 0.00 64.86 64.86 2f77 h ILE 90 Cb 0.17 1.55 -0.02 0.00 -0.27 0.00 0.00 36.82 38.25 2f77 h ILE 90 CO -0.00 0.51 0.19 0.44 -1.05 0.00 0.00 178.15 178.24 2f77 h ASP 91 N 0.59 0.33 -0.63 2.16 3.32 -0.74 -2.52 116.42 118.93 2f77 h ASP 91 Ca 0.04 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2f77 h ASP 91 Cb 0.98 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2f77 h ASP 91 CO 0.09 0.24 0.21 0.11 -1.72 0.00 0.00 179.24 178.17 2f77 h LYS 92 N 0.40 0.97 -6.69 3.56 1.57 -0.87 -3.42 116.57 112.09 2f77 h LYS 92 Ca 0.11 -0.20 -0.51 0.00 -1.87 0.00 0.00 60.65 58.19 2f77 h LYS 92 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2f77 h LYS 92 CO -0.03 0.84 0.41 0.21 -0.57 0.00 0.00 179.45 180.32 2f77 s LYS 93 N -5.44 4.70 0.00 3.15 2.20 -0.67 -4.99 119.74 118.69 2f77 s LYS 93 Ca -0.13 1.61 -0.30 0.00 -0.36 0.00 0.00 55.97 56.79 2f77 s LYS 93 Cb 0.13 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2f77 s LYS 93 CO 0.81 0.26 1.19 -1.21 -0.36 0.00 0.00 175.35 176.05 2f77 s GLU 94 N -0.71 4.40 0.15 4.03 0.41 -1.26 -4.82 118.70 120.90 2f77 s GLU 94 Ca 0.46 1.71 0.04 0.00 -0.41 0.00 0.00 54.97 56.77 2f77 s GLU 94 Cb -0.27 -3.46 -0.04 0.00 -1.78 0.00 0.00 34.13 28.57 2f77 s GLU 94 CO 0.34 -0.34 -0.10 0.54 -0.49 0.00 0.00 175.26 175.21 2f77 s VAL 95 N 1.62 1.17 -0.68 2.63 0.11 -1.26 -5.10 120.40 118.89 2f77 s VAL 95 Ca 0.57 -2.06 0.05 0.00 -2.93 0.00 0.00 61.98 57.61 2f77 s VAL 95 Cb -0.27 -1.87 0.16 0.00 -1.53 0.00 0.00 36.38 32.87 2f77 s VAL 95 CO 0.26 -0.73 0.47 0.54 -3.33 0.00 0.00 175.10 172.31 2f77 s ASN 96 N -3.18 4.78 -1.48 3.54 4.22 -1.26 -5.00 114.94 116.57 2f77 s ASN 96 Ca 0.17 -3.73 -0.11 0.00 -2.14 0.00 0.00 52.86 47.04 2f77 s ASN 96 Cb 0.03 -1.65 0.02 0.00 1.28 0.00 0.00 41.25 40.93 2f77 s ASN 96 CO 0.01 -0.11 2.45 -0.81 -2.04 0.00 0.00 177.10 176.60 2f77 n PRO 97 N 2.14 3.37 0.00 3.55 -0.04 -1.26 -4.86 135.00 137.90 2f77 n PRO 97 Ca 0.18 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2f77 n PRO 97 Cb 0.35 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 2f77 n PRO 97 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2f77 n GLN 98 N 4.64 0.00 -3.43 0.54 6.02 -1.26 -4.46 117.38 119.42 2f77 n GLN 98 Ca 0.60 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 57.22 2f77 n GLN 98 Cb 0.32 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.52 2f77 n GLN 98 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2f77 s VAL 99 N 0.00 5.25 -1.10 5.09 1.01 -1.26 -5.28 120.40 124.11 2f77 s VAL 99 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2f77 s VAL 99 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2f77 s VAL 99 CO 0.00 0.35 0.27 0.23 0.00 0.00 0.00 175.10 175.96