#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 0.56 3.29 -5.12 0.00 -1.26 -5.06 105.19 97.61 2f77 n GLY 2 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 2f77 n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f77 s GLN 3 N -1.90 1.18 0.48 1.61 2.00 -1.26 -5.11 119.66 116.66 2f77 s GLN 3 Ca 0.00 -1.45 -0.24 0.00 -2.00 0.00 0.00 55.36 51.67 2f77 s GLN 3 Cb 0.00 -0.95 -0.07 0.00 0.80 0.00 0.00 33.01 32.79 2f77 s GLN 3 CO 0.00 0.16 1.33 0.39 -0.50 0.00 0.00 175.29 176.67 2f77 n GLU 4 N -0.05 1.90 -3.23 1.67 4.71 -1.26 -4.93 120.64 119.44 2f77 n GLU 4 Ca -0.11 0.68 -0.45 0.00 -0.01 0.00 0.00 57.16 57.28 2f77 n GLU 4 Cb 0.59 -2.51 -0.06 0.00 -1.01 0.00 0.00 31.44 28.45 2f77 n GLU 4 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2f77 s LEU 5 N -2.59 5.62 0.83 -4.62 1.43 -1.26 -5.01 118.68 113.07 2f77 s LEU 5 Ca 0.65 -1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 2f77 s LEU 5 Cb -0.45 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 43.59 2f77 s LEU 5 CO 0.54 -0.91 1.20 -0.94 0.23 0.00 0.00 176.35 176.47 2f77 s SER 6 N 3.27 4.33 0.24 2.29 1.04 -1.26 -4.74 113.70 118.87 2f77 s SER 6 Ca 0.08 0.72 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 2f77 s SER 6 Cb -0.25 -1.15 0.32 0.00 0.10 0.00 0.00 66.02 65.04 2f77 s SER 6 CO 0.06 -2.01 1.85 1.56 0.98 0.00 0.00 173.24 175.68 2f77 h GLN 7 N -1.13 0.91 -0.28 4.02 1.08 -1.99 0.16 115.11 117.88 2f77 h GLN 7 Ca -0.46 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 56.64 2f77 h GLN 7 Cb 1.32 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2f77 h GLN 7 CO 0.63 0.60 -0.01 1.25 -0.95 0.00 0.00 178.83 180.35 2f77 h HIS 8 N 0.93 0.55 -0.55 2.96 2.76 -2.00 -2.30 115.15 117.50 2f77 h HIS 8 Ca 0.37 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2f77 h HIS 8 Cb 0.17 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 2f77 h HIS 8 CO -0.04 0.66 0.20 0.93 -1.30 0.00 0.00 177.93 178.37 2f77 h GLU 9 N 0.29 0.81 -0.77 5.26 5.08 -1.73 -2.31 114.58 121.22 2f77 h GLU 9 Ca 0.08 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2f77 h GLU 9 Cb 0.44 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2f77 h GLU 9 CO 0.02 0.69 0.30 0.00 -1.00 0.00 0.00 179.01 179.01 2f77 h ARG 10 N 0.80 1.15 -0.78 2.33 3.08 -0.49 -2.15 114.38 118.32 2f77 h ARG 10 Ca 0.19 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2f77 h ARG 10 Cb 0.20 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2f77 h ARG 10 CO -0.01 0.94 0.51 -0.92 -1.07 0.00 0.00 179.97 179.42 2f77 h TYR 11 N 1.12 0.99 -0.52 3.04 3.20 -0.86 -2.04 116.97 121.90 2f77 h TYR 11 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2f77 h TYR 11 Cb 0.23 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2f77 h TYR 11 CO 0.02 0.63 0.33 0.28 -1.64 0.00 0.00 178.16 177.78 2f77 h VAL 12 N 1.07 1.14 -0.38 1.81 2.07 -1.11 0.54 116.25 121.39 2f77 h VAL 12 Ca 0.29 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2f77 h VAL 12 Cb -0.11 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 2f77 h VAL 12 CO -0.06 0.14 0.10 -0.08 0.02 0.00 0.00 177.57 177.69 2f77 h GLU 13 N 0.70 0.24 -0.54 1.57 4.81 -1.13 0.13 114.58 120.35 2f77 h GLU 13 Ca 0.19 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2f77 h GLU 13 Cb -0.06 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2f77 h GLU 13 CO -0.04 0.16 0.10 0.37 -0.73 0.00 0.00 179.01 178.87 2f77 h GLN 14 N 0.24 0.85 -0.68 1.92 4.15 -1.15 -2.33 115.11 118.11 2f77 h GLN 14 Ca 0.18 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2f77 h GLN 14 Cb 0.18 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 2f77 h GLN 14 CO -0.20 0.79 0.32 1.25 -1.93 0.00 0.00 178.83 179.05 2f77 h LEU 15 N 0.81 0.89 -0.79 -2.39 5.85 0.46 -2.44 115.31 117.71 2f77 h LEU 15 Ca 0.17 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2f77 h LEU 15 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2f77 h LEU 15 CO 0.00 0.78 0.51 0.50 -0.34 0.00 0.00 178.44 179.89 2f77 h LYS 16 N 0.95 1.05 -0.65 1.25 3.64 -0.29 -1.56 116.57 120.95 2f77 h LYS 16 Ca 0.23 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2f77 h LYS 16 Cb 0.12 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 2f77 h LYS 16 CO -0.03 0.71 0.31 1.96 -2.27 0.00 0.00 179.45 180.14 2f77 h GLN 17 N 1.07 0.53 -0.53 1.90 4.20 -0.99 0.46 115.11 121.75 2f77 h GLN 17 Ca 0.29 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 2f77 h GLN 17 Cb -0.09 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2f77 h GLN 17 CO -0.06 0.35 0.11 0.00 -0.67 0.00 0.00 178.83 178.56 2f77 h ALA 18 N 1.40 1.19 -0.76 3.87 0.00 -1.12 -2.27 119.26 121.56 2f77 h ALA 18 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2f77 h ALA 18 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2f77 h ALA 18 CO -0.25 0.55 0.32 -0.07 0.00 0.00 0.00 179.25 179.79 2f77 h LEU 19 N 0.80 1.03 -0.91 0.00 3.38 -0.03 -2.26 115.31 117.32 2f77 h LEU 19 Ca 0.17 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2f77 h LEU 19 Cb 0.32 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2f77 h LEU 19 CO 0.00 0.91 0.60 0.11 0.09 0.00 0.00 178.44 180.15 2f77 h LYS 20 N 1.10 1.18 -0.92 1.13 1.57 -0.50 -1.41 116.57 118.72 2f77 h LYS 20 Ca 0.26 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2f77 h LYS 20 Cb 0.19 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 2f77 h LYS 20 CO -0.02 0.78 0.61 1.15 -0.57 0.00 0.00 179.45 181.40 2f77 h THR 21 N 1.22 1.20 0.00 -0.16 2.02 -1.15 0.88 112.91 116.92 2f77 h THR 21 Ca 0.34 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2f77 h THR 21 Cb -0.12 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.18 2f77 h THR 21 CO -0.08 0.22 0.00 0.03 0.37 0.00 0.00 175.52 176.06 2f77 h ARG 22 N 1.20 0.00 0.00 6.66 3.08 -0.99 -3.45 114.38 120.88 2f77 h ARG 22 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2f77 h ARG 22 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2f77 h ARG 22 CO -0.09 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.22 2f77 n GLY 23 N -0.13 0.81 3.22 0.04 0.00 0.30 -5.12 105.19 104.31 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 -1.06 1.85 -0.27 1.61 1.01 -0.86 -4.98 120.40 117.70 2f77 s VAL 24 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2f77 s VAL 24 Cb 0.00 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.88 2f77 s VAL 24 CO 0.00 0.52 -0.02 -0.54 0.00 0.00 0.00 175.10 175.06 2f77 s LYS 25 N -0.04 1.57 0.09 2.72 -0.14 -1.26 -3.97 119.74 118.71 2f77 s LYS 25 Ca -0.05 -1.23 0.02 0.00 -1.36 0.00 0.00 55.97 53.34 2f77 s LYS 25 Cb -0.13 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 2f77 s LYS 25 CO 0.04 -0.71 -0.07 0.08 -0.76 0.00 0.00 175.35 173.93 2f77 s VAL 26 N 1.28 0.67 0.29 3.17 1.01 -1.26 -4.99 120.40 120.57 2f77 s VAL 26 Ca -0.01 -1.86 -0.25 0.00 0.00 0.00 0.00 61.98 59.86 2f77 s VAL 26 Cb -0.19 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 2f77 s VAL 26 CO -0.09 -0.83 0.89 -0.54 0.00 0.00 0.00 175.10 174.53 2f77 s LYS 27 N -3.64 4.56 0.27 2.72 1.02 -1.26 -4.95 119.74 118.46 2f77 s LYS 27 Ca 0.10 1.25 -0.04 0.00 0.02 0.00 0.00 55.97 57.31 2f77 s LYS 27 Cb 0.04 -2.90 0.36 0.00 -0.52 0.00 0.00 37.83 34.82 2f77 s LYS 27 CO -0.04 0.35 1.94 -0.92 -0.92 0.00 0.00 175.35 175.75 2f77 h TYR 28 N 3.40 1.16 -0.30 3.18 3.20 -2.01 -1.10 116.97 124.50 2f77 h TYR 28 Ca -0.47 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2f77 h TYR 28 Cb 1.19 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 2f77 h TYR 28 CO 0.62 0.71 0.14 0.00 -1.64 0.00 0.00 178.16 177.99 2f77 h ALA 29 N 1.43 1.68 -0.62 1.82 0.00 -1.99 -1.82 119.26 119.76 2f77 h ALA 29 Ca 0.35 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2f77 h ALA 29 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2f77 h ALA 29 CO -0.09 0.26 0.13 -0.44 0.00 0.00 0.00 179.25 179.12 2f77 h ASP 30 N 0.41 0.94 -0.33 0.00 3.32 -1.58 -0.95 116.42 118.23 2f77 h ASP 30 Ca 0.11 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2f77 h ASP 30 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2f77 h ASP 30 CO -0.01 0.92 0.15 -0.07 -1.72 0.00 0.00 179.24 178.50 2f77 h LEU 31 N 0.94 0.44 -0.60 1.55 -0.00 -1.19 0.24 115.31 116.69 2f77 h LEU 31 Ca 0.20 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2f77 h LEU 31 Cb 0.36 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2f77 h LEU 31 CO 0.00 0.46 0.23 -0.07 -0.00 0.00 0.00 178.44 179.07 2f77 h LEU 32 N 0.39 0.84 -0.96 1.67 3.38 -1.28 -2.34 115.31 117.01 2f77 h LEU 32 Ca 0.11 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2f77 h LEU 32 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2f77 h LEU 32 CO -0.01 0.79 -0.09 0.11 0.09 0.00 0.00 178.44 179.34 2f77 h LYS 33 N 0.84 0.67 -0.04 1.13 1.57 -0.87 -1.82 116.57 118.05 2f77 h LYS 33 Ca 0.20 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f77 h LYS 33 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2f77 h LYS 33 CO -0.01 0.74 0.03 0.35 -0.57 0.00 0.00 179.45 179.99 2f77 h PHE 34 N 0.61 0.06 -0.39 -1.35 3.57 -0.01 0.38 116.94 119.80 2f77 h PHE 34 Ca 0.11 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2f77 h PHE 34 Cb 0.51 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2f77 h PHE 34 CO 0.02 0.06 0.11 0.74 -2.23 0.00 0.00 178.31 177.01 2f77 h PHE 35 N 0.04 0.65 -0.48 0.41 -1.00 -1.32 0.46 116.94 115.69 2f77 h PHE 35 Ca 0.02 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2f77 h PHE 35 Cb 0.02 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.37 2f77 h PHE 35 CO -0.07 0.62 0.21 -0.44 -1.61 0.00 0.00 178.31 177.02 2f77 h ASP 36 N 0.49 0.65 -0.34 2.17 3.32 -1.10 -0.96 116.42 120.65 2f77 h ASP 36 Ca 0.13 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2f77 h ASP 36 Cb 0.29 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2f77 h ASP 36 CO -0.00 0.62 0.10 0.15 -1.72 0.00 0.00 179.24 178.40 2f77 h PHE 37 N 0.63 0.55 -0.65 4.55 3.57 -0.06 0.37 116.94 125.90 2f77 h PHE 37 Ca 0.16 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2f77 h PHE 37 Cb 0.17 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2f77 h PHE 37 CO -0.00 0.55 0.42 0.28 -2.23 0.00 0.00 178.31 177.32 2f77 h VAL 38 N 0.40 1.18 0.00 1.41 2.07 -0.68 0.23 116.25 120.86 2f77 h VAL 38 Ca 0.11 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 2f77 h VAL 38 Cb 0.26 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2f77 h VAL 38 CO -0.00 0.18 -0.75 0.11 0.02 0.00 0.00 177.57 177.13 2f77 h LYS 39 N 0.88 0.00 0.00 1.57 1.57 -1.01 -3.08 116.57 116.51 2f77 h LYS 39 Ca 0.24 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2f77 h LYS 39 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2f77 h LYS 39 CO -0.05 0.75 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.98 2f77 h ASP 40 N 0.00 0.00 0.11 0.86 3.32 0.33 -3.34 116.42 117.71 2f77 h ASP 40 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2f77 h ASP 40 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2f77 h ASP 40 CO 0.10 0.16 -0.05 0.74 -1.72 0.00 0.00 179.24 178.47 2f77 h THR 41 N 0.00 0.97 0.43 0.35 2.02 -0.45 -0.28 112.91 115.95 2f77 h THR 41 Ca -0.00 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2f77 h THR 41 Cb 1.03 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2f77 h THR 41 CO 0.02 0.07 -0.21 0.00 0.37 0.00 0.00 175.52 175.77 2f77 h PRO 43 N -0.73 -0.52 -1.32 0.00 0.13 -1.68 -3.47 132.00 124.42 2f77 h PRO 43 Ca -0.06 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.24 2f77 h PRO 43 Cb 0.45 0.12 -0.30 0.00 0.13 0.00 0.00 31.00 31.40 2f77 h PRO 43 CO 0.10 -0.31 0.68 1.67 -0.23 0.00 0.00 178.00 179.91 2f77 s TRP 44 N -5.85 -0.25 -0.41 1.56 -2.14 -0.15 -5.09 118.94 106.62 2f77 s TRP 44 Ca -0.16 0.61 0.10 0.00 2.66 0.00 0.00 56.10 59.31 2f77 s TRP 44 Cb 0.04 0.42 0.37 0.00 -3.10 0.00 0.00 33.47 31.20 2f77 s TRP 44 CO 0.62 -0.12 1.13 1.97 -2.66 0.00 0.00 176.95 177.89 2f77 n PHE 45 N 1.95 -1.74 0.18 1.66 -1.74 -1.02 -4.16 117.46 112.60 2f77 n PHE 45 Ca -0.12 -2.38 0.07 0.00 -0.56 0.00 0.00 57.45 54.46 2f77 n PHE 45 Cb 0.56 1.06 0.13 0.00 1.52 0.00 0.00 39.48 42.76 2f77 n PHE 45 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 2f77 h PRO 46 N 2.63 0.00 -7.24 3.97 0.13 -1.98 -3.46 132.00 126.06 2f77 h PRO 46 Ca -0.14 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.50 2f77 h PRO 46 Cb 1.17 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.36 2f77 h PRO 46 CO 0.16 0.28 0.38 -0.65 -0.23 0.00 0.00 178.00 177.94 2f77 s GLN 47 N -3.13 3.38 0.08 0.86 -1.52 -1.26 -5.07 119.66 113.00 2f77 s GLN 47 Ca 0.05 1.07 0.04 0.00 -1.95 0.00 0.00 55.36 54.57 2f77 s GLN 47 Cb 0.07 -2.05 -0.03 0.00 -0.22 0.00 0.00 33.01 30.78 2f77 s GLN 47 CO 0.70 -0.75 -0.12 -1.21 -0.25 0.00 0.00 175.29 173.67 2f77 s GLU 48 N -4.36 0.78 0.25 2.91 2.02 -1.26 -5.16 118.70 113.88 2f77 s GLU 48 Ca 0.61 -0.99 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 2f77 s GLU 48 Cb -0.14 -0.63 0.01 0.00 0.10 0.00 0.00 34.13 33.47 2f77 s GLU 48 CO 0.41 0.13 0.38 0.41 0.02 0.00 0.00 175.26 176.60 2f77 n GLY 49 N 1.06 2.21 3.78 -1.39 0.00 -1.26 -5.14 105.19 104.45 2f77 n GLY 49 Ca -0.20 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.64 3.91 -0.02 2.61 2.01 -1.26 -5.00 115.64 115.25 2f77 s THR 50 Ca 0.18 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.80 2f77 s THR 50 Cb -0.01 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.61 2f77 s THR 50 CO 0.13 0.15 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.65 2f77 s ILE 51 N -1.54 0.46 0.26 1.82 -1.16 -1.26 -5.12 121.20 114.66 2f77 s ILE 51 Ca 0.52 -0.16 -0.30 0.00 -0.51 0.00 0.00 60.65 60.20 2f77 s ILE 51 Cb -0.22 -0.45 -0.10 0.00 0.61 0.00 0.00 42.46 42.30 2f77 s ILE 51 CO 0.28 0.17 1.43 -0.62 -2.81 0.00 0.00 174.94 173.39 2f77 s ASP 52 N 0.44 6.65 0.11 4.50 -1.08 -1.26 -4.91 116.67 121.12 2f77 s ASP 52 Ca -0.05 2.68 -0.14 0.00 -0.52 0.00 0.00 52.55 54.52 2f77 s ASP 52 Cb -0.09 -2.63 -0.07 0.00 -1.46 0.00 0.00 42.92 38.67 2f77 s ASP 52 CO -0.00 -0.69 1.44 0.40 0.52 0.00 0.00 175.17 176.83 2f77 h ILE 53 N 3.48 1.30 -1.00 4.11 2.04 -2.00 -2.04 117.51 123.40 2f77 h ILE 53 Ca -0.46 -1.44 0.06 0.00 1.00 0.00 0.00 64.86 64.02 2f77 h ILE 53 Cb 1.22 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.75 2f77 h ILE 53 CO 0.76 0.47 0.65 0.50 0.00 0.00 0.00 178.15 180.52 2f77 h LYS 54 N 0.50 1.15 -0.23 2.37 3.64 -1.91 -1.35 116.57 120.75 2f77 h LYS 54 Ca 0.05 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2f77 h LYS 54 Cb 0.85 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2f77 h LYS 54 CO 0.07 0.76 -0.48 0.35 -2.27 0.00 0.00 179.45 177.88 2f77 h PHE 55 N 1.19 0.75 -0.94 1.91 3.57 -1.91 -3.02 116.94 118.49 2f77 h PHE 55 Ca 0.42 -0.24 0.17 0.00 3.53 0.00 0.00 57.97 61.85 2f77 h PHE 55 Cb 0.13 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 2f77 h PHE 55 CO -0.00 0.98 0.60 2.35 -2.23 0.00 0.00 178.31 180.00 2f77 h TRP 56 N 0.48 0.87 -0.59 0.41 7.01 -0.50 0.26 115.95 123.89 2f77 h TRP 56 Ca 0.02 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.10 2f77 h TRP 56 Cb 1.02 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.77 2f77 h TRP 56 CO 0.05 0.26 0.32 0.00 -2.79 0.00 0.00 178.44 176.28 2f77 h ARG 57 N 0.68 0.60 -0.35 2.65 2.47 -1.37 0.43 114.38 119.49 2f77 h ARG 57 Ca 0.50 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 59.09 2f77 h ARG 57 Cb 0.86 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2f77 h ARG 57 CO -0.26 0.40 -0.13 0.00 0.56 0.00 0.00 179.97 180.54 2f77 h ARG 58 N 0.62 0.70 -0.53 0.04 3.08 -1.11 -2.52 114.38 114.65 2f77 h ARG 58 Ca 0.26 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2f77 h ARG 58 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2f77 h ARG 58 CO -0.16 0.88 0.25 0.28 -1.07 0.00 0.00 179.97 180.16 2f77 h VAL 59 N 0.48 1.20 -0.24 2.04 2.07 -0.62 0.88 116.25 122.06 2f77 h VAL 59 Ca 0.08 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2f77 h VAL 59 Cb 0.65 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2f77 h VAL 59 CO 0.04 0.23 0.05 1.23 0.02 0.00 0.00 177.57 179.14 2f77 h GLY 60 N 0.72 0.27 1.26 2.17 0.00 -0.07 0.42 103.07 107.83 2f77 h GLY 60 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2f77 h GLY 60 CO -0.02 -0.00 -0.09 -0.55 0.00 0.00 0.00 176.54 175.88 2f77 h ASP 61 N 0.14 0.86 -0.08 0.19 3.32 -1.21 -1.73 116.42 117.92 2f77 h ASP 61 Ca 0.11 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2f77 h ASP 61 Cb 0.11 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2f77 h ASP 61 CO -0.14 0.98 -0.01 0.00 -1.72 0.00 0.00 179.24 178.35 2f77 h PHE 63 N -0.17 0.46 -0.95 0.00 -1.00 -0.13 -1.42 116.94 113.73 2f77 h PHE 63 Ca 0.02 0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.88 2f77 h PHE 63 Cb 0.37 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 39.72 2f77 h PHE 63 CO 0.04 0.26 0.61 0.37 -1.61 0.00 0.00 178.31 177.98 2f77 h GLN 64 N 0.49 1.07 -0.33 1.51 4.15 -1.25 0.79 115.11 121.54 2f77 h GLN 64 Ca 0.17 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2f77 h GLN 64 Cb 0.01 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 2f77 h GLN 64 CO -0.08 0.71 0.13 -0.44 -1.93 0.00 0.00 178.83 177.22 2f77 h ASP 65 N 1.10 0.45 0.15 -0.69 3.32 -0.55 -2.19 116.42 118.01 2f77 h ASP 65 Ca 0.42 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2f77 h ASP 65 Cb 0.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2f77 h ASP 65 CO -0.18 0.49 -0.21 1.88 -1.72 0.00 0.00 179.24 179.51 2f77 h TYR 66 N 0.38 0.11 0.41 4.55 0.05 -0.47 -0.53 116.97 121.47 2f77 h TYR 66 Ca 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2f77 h TYR 66 Cb 0.18 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2f77 h TYR 66 CO -0.01 0.31 -0.20 -0.92 -1.05 0.00 0.00 178.16 176.30 2f77 h TYR 67 N 0.10 -0.51 -0.57 4.88 3.20 -0.27 0.12 116.97 123.91 2f77 h TYR 67 Ca 0.02 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2f77 h TYR 67 Cb 0.43 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2f77 h TYR 67 CO 0.00 -0.23 0.01 -0.91 -1.64 0.00 0.00 178.16 175.39 2f77 h ASN 68 N -0.71 0.96 -0.04 -2.11 2.35 -1.32 2.02 115.58 116.74 2f77 h ASN 68 Ca -0.06 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2f77 h ASN 68 Cb 0.51 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2f77 h ASN 68 CO 0.09 1.01 0.02 0.74 -1.65 0.00 0.00 177.43 177.64 2f77 h THR 69 N 0.91 1.11 0.00 2.81 2.02 -0.98 -3.39 112.91 115.39 2f77 h THR 69 Ca 0.17 -0.31 -0.22 0.00 0.77 0.00 0.00 66.41 66.82 2f77 h THR 69 Cb 0.52 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2f77 h THR 69 CO 0.03 0.09 -1.65 0.49 0.37 0.00 0.00 175.52 174.84 2f77 n PHE 70 N -5.00 0.00 -0.08 3.16 3.72 0.39 -5.08 117.46 114.57 2f77 n PHE 70 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2f77 n PHE 70 Cb 0.09 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 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 2.07 0.95 0.30 1.37 0.00 0.68 -4.86 105.19 105.71 2f77 n GLY 71 Ca -0.27 -1.89 0.19 0.00 0.00 0.00 0.00 46.02 44.05 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 7.41 0.00 0.03 1.61 0.11 -1.80 -3.17 132.00 136.18 2f77 h PRO 72 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2f77 h PRO 72 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2f77 h PRO 72 CO 0.00 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 178.60 2f77 h GLU 73 N 0.00 -0.22 -0.26 1.05 4.39 -1.93 0.59 114.58 118.20 2f77 h GLU 73 Ca -0.00 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2f77 h GLU 73 Cb 0.36 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2f77 h GLU 73 CO 0.00 -0.14 0.05 0.87 -1.16 0.00 0.00 179.01 178.63 2f77 h LYS 74 N -0.23 0.43 -2.06 2.33 1.79 -1.89 -3.40 116.57 113.55 2f77 h LYS 74 Ca 0.03 -0.11 -0.43 0.00 -2.18 0.00 0.00 60.65 57.96 2f77 h LYS 74 Cb 0.26 -0.05 -0.32 0.00 -1.58 0.00 0.00 32.23 30.54 2f77 h LYS 74 CO -0.10 0.54 -0.76 0.14 -1.08 0.00 0.00 179.45 178.19 2f77 s VAL 75 N -5.22 -0.17 0.00 0.50 -7.23 -1.04 -4.80 120.40 102.43 2f77 s VAL 75 Ca -0.14 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2f77 s VAL 75 Cb 0.08 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2f77 s VAL 75 CO 0.74 -0.75 0.00 -0.81 -0.31 0.00 0.00 175.10 173.97 2f77 n PRO 76 N 3.75 0.45 0.18 4.82 -0.04 0.20 -4.55 135.00 139.80 2f77 n PRO 76 Ca 0.16 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2f77 n PRO 76 Cb 0.45 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.50 2f77 n PRO 76 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2f77 h VAL 77 N -0.60 0.00 -0.37 0.52 -1.51 -2.00 -2.68 116.25 109.61 2f77 h VAL 77 Ca 0.00 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 65.22 2f77 h VAL 77 Cb 0.00 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.12 2f77 h VAL 77 CO 0.00 0.00 0.15 0.71 -1.23 0.00 0.00 177.57 177.20 2f77 h THR 78 N 0.00 1.14 -0.24 7.19 1.35 -1.94 -0.73 112.91 119.68 2f77 h THR 78 Ca 0.00 -0.45 -0.06 0.00 -0.55 0.00 0.00 66.41 65.36 2f77 h THR 78 Cb 0.31 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 2f77 h THR 78 CO 0.00 0.17 -0.07 0.00 -0.25 0.00 0.00 175.52 175.38 2f77 h ALA 79 N 1.64 0.33 -0.29 6.62 0.00 -1.81 -0.27 119.26 125.48 2f77 h ALA 79 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2f77 h ALA 79 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2f77 h ALA 79 CO -0.01 0.14 0.10 0.74 0.00 0.00 0.00 179.25 180.21 2f77 h PHE 80 N 0.21 0.47 -0.32 0.00 -1.00 -1.58 0.70 116.94 115.41 2f77 h PHE 80 Ca 0.06 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2f77 h PHE 80 Cb 0.53 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 2f77 h PHE 80 CO 0.05 0.49 0.18 0.77 -1.61 0.00 0.00 178.31 178.19 2f77 h SER 81 N 0.32 0.40 -0.69 2.17 0.02 -1.10 0.87 113.55 115.53 2f77 h SER 81 Ca 0.10 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2f77 h SER 81 Cb 0.23 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2f77 h SER 81 CO -0.00 0.37 0.35 1.88 -1.14 0.00 0.00 176.83 178.29 2f77 h TYR 82 N 0.40 0.98 -0.49 3.45 -1.99 -0.88 -2.14 116.97 116.30 2f77 h TYR 82 Ca 0.11 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 2f77 h TYR 82 Cb 0.06 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.46 2f77 h TYR 82 CO -0.03 0.71 0.05 2.35 -0.00 0.00 0.00 178.16 181.24 2f77 h TRP 83 N 0.96 0.81 -0.61 4.88 2.91 -0.46 -2.61 115.95 121.83 2f77 h TRP 83 Ca 0.24 -0.10 0.07 0.00 1.13 0.00 0.00 58.89 60.23 2f77 h TRP 83 Cb 0.08 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 28.45 2f77 h TRP 83 CO 0.00 0.73 0.30 -0.97 -1.03 0.00 0.00 178.44 177.47 2f77 h ASN 84 N 0.74 0.40 -0.58 2.65 -0.73 -0.16 0.23 115.58 118.12 2f77 h ASN 84 Ca 0.15 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 2f77 h ASN 84 Cb 0.38 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 2f77 h ASN 84 CO 0.01 0.25 0.25 -0.07 -0.37 0.00 0.00 177.43 177.50 2f77 h LEU 85 N 0.54 0.79 -0.75 0.34 3.38 -1.25 -2.45 115.31 115.92 2f77 h LEU 85 Ca 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2f77 h LEU 85 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2f77 h LEU 85 CO -0.22 0.73 0.42 0.40 0.09 0.00 0.00 178.44 179.86 2f77 h ILE 86 N 0.79 1.22 -0.83 1.22 1.08 -0.89 -1.80 117.51 118.31 2f77 h ILE 86 Ca 0.19 -0.55 0.11 0.00 -0.39 0.00 0.00 64.86 64.22 2f77 h ILE 86 Cb 0.18 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.09 2f77 h ILE 86 CO -0.02 0.25 0.54 0.50 -0.69 0.00 0.00 178.15 178.73 2f77 h LYS 87 N 1.03 0.72 -0.28 2.37 3.64 -0.14 -0.92 116.57 123.00 2f77 h LYS 87 Ca 0.26 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 2f77 h LYS 87 Cb 0.02 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2f77 h LYS 87 CO -0.04 0.47 -0.44 0.93 -2.27 0.00 0.00 179.45 178.10 2f77 h GLU 88 N 0.74 0.79 -0.27 1.90 5.08 -1.02 0.42 114.58 122.22 2f77 h GLU 88 Ca 0.39 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2f77 h GLU 88 Cb 0.51 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2f77 h GLU 88 CO -0.16 1.11 0.14 -0.07 -1.00 0.00 0.00 179.01 179.03 2f77 h LEU 89 N 0.55 0.34 -0.22 1.33 4.07 -0.69 0.91 115.31 121.59 2f77 h LEU 89 Ca 0.02 -0.10 -0.16 0.00 0.08 0.00 0.00 57.88 57.73 2f77 h LEU 89 Cb 1.04 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2f77 h LEU 89 CO 0.10 0.34 -0.47 0.16 -1.08 0.00 0.00 178.44 177.50 2f77 h ILE 90 N 0.31 1.31 -0.32 1.22 3.07 -1.26 -2.01 117.51 119.84 2f77 h ILE 90 Ca 0.09 -1.68 -0.00 0.00 1.55 0.00 0.00 64.86 64.82 2f77 h ILE 90 Cb 0.08 1.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2f77 h ILE 90 CO -0.01 0.53 0.19 0.44 -1.05 0.00 0.00 178.15 178.25 2f77 h ASP 91 N 0.43 0.38 -0.34 2.16 3.32 -0.76 -2.77 116.42 118.83 2f77 h ASP 91 Ca 0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2f77 h ASP 91 Cb 1.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2f77 h ASP 91 CO 0.10 0.31 0.15 0.11 -1.72 0.00 0.00 179.24 178.19 2f77 h LYS 92 N 0.41 0.51 -6.55 3.56 1.57 -0.83 -3.41 116.57 111.83 2f77 h LYS 92 Ca 0.11 -0.09 -0.53 0.00 -1.87 0.00 0.00 60.65 58.28 2f77 h LYS 92 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2f77 h LYS 92 CO -0.02 0.49 0.45 0.21 -0.57 0.00 0.00 179.45 180.01 2f77 s LYS 93 N -5.60 4.57 -0.09 3.15 2.20 -0.76 -5.00 119.74 118.21 2f77 s LYS 93 Ca -0.13 1.61 -0.28 0.00 -0.36 0.00 0.00 55.97 56.80 2f77 s LYS 93 Cb 0.09 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2f77 s LYS 93 CO 0.74 0.00 0.93 -1.21 -0.36 0.00 0.00 175.35 175.45 2f77 s GLU 94 N 0.33 4.42 0.25 4.03 2.02 -1.26 -4.79 118.70 123.70 2f77 s GLU 94 Ca 0.51 1.25 0.02 0.00 0.02 0.00 0.00 54.97 56.77 2f77 s GLU 94 Cb -0.26 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 2f77 s GLU 94 CO 0.31 -0.22 0.07 0.54 0.02 0.00 0.00 175.26 175.98 2f77 s VAL 95 N 1.70 0.70 -0.61 2.63 0.11 -1.26 -5.11 120.40 118.56 2f77 s VAL 95 Ca 0.45 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.55 2f77 s VAL 95 Cb -0.18 -2.55 0.16 0.00 -1.53 0.00 0.00 36.38 32.28 2f77 s VAL 95 CO 0.19 -0.10 0.43 0.21 -3.33 0.00 0.00 175.10 172.49 2f77 s ASN 96 N -3.31 3.97 0.79 3.54 3.84 -1.26 -5.08 114.94 117.43 2f77 s ASN 96 Ca 0.35 -3.53 0.00 0.00 0.21 0.00 0.00 52.86 49.88 2f77 s ASN 96 Cb 0.07 -1.33 0.00 0.00 -0.55 0.00 0.00 41.25 39.45 2f77 s ASN 96 CO 0.12 -0.13 0.00 -0.81 -2.79 0.00 0.00 177.10 173.49 2f77 n PRO 97 N 2.36 0.23 -0.13 0.43 -0.04 -1.26 -4.98 135.00 131.61 2f77 n PRO 97 Ca 0.20 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2f77 n PRO 97 Cb 0.38 0.00 -0.02 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 0.70 -5.24 0.54 4.20 -1.99 -3.42 115.11 109.89 2f77 h GLN 98 Ca 0.00 -0.24 -0.58 0.00 0.06 0.00 0.00 58.65 57.89 2f77 h GLN 98 Cb 0.00 -0.06 -0.32 0.00 0.30 0.00 0.00 27.48 27.41 2f77 h GLN 98 CO 0.00 0.81 -0.84 0.08 -0.67 0.00 0.00 178.83 178.20 2f77 s VAL 99 N -4.93 1.53 -2.60 -0.54 1.01 -1.26 -5.18 120.40 108.44 2f77 s VAL 99 Ca -0.13 -0.75 0.27 0.00 0.00 0.00 0.00 61.98 61.37 2f77 s VAL 99 Cb 0.10 -1.33 0.48 0.00 0.00 0.00 0.00 36.38 35.63 2f77 s VAL 99 CO 0.79 0.44 1.65 0.80 0.00 0.00 0.00 175.10 178.78