#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 3.19 3.03 0.00 -1.26 -5.02 105.19 105.70 2f77 n GLY 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.11 0.88 0.34 1.61 -0.21 -1.26 -5.11 119.66 115.81 2f77 s GLN 3 Ca 0.00 -1.00 -0.28 0.00 0.02 0.00 0.00 55.36 54.10 2f77 s GLN 3 Cb 0.00 -0.95 -0.12 0.00 1.00 0.00 0.00 33.01 32.94 2f77 s GLN 3 CO 0.00 0.21 1.38 0.39 -2.12 0.00 0.00 175.29 175.15 2f77 n GLU 4 N 1.24 2.33 -3.01 2.91 1.02 -1.26 -4.91 120.64 118.96 2f77 n GLU 4 Ca -0.21 0.82 -0.43 0.00 -0.02 0.00 0.00 57.16 57.32 2f77 n GLU 4 Cb 0.54 -2.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.45 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 -1.22 4.65 0.74 -4.62 1.43 -1.26 -5.01 118.68 113.39 2f77 s LEU 5 Ca 0.56 -0.81 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 2f77 s LEU 5 Cb -0.54 -2.54 0.06 0.00 0.03 0.00 0.00 46.19 43.19 2f77 s LEU 5 CO 0.61 -1.11 1.09 -0.94 0.23 0.00 0.00 176.35 176.23 2f77 s SER 6 N 3.00 4.85 0.27 2.29 1.04 -1.26 -4.75 113.70 119.14 2f77 s SER 6 Ca 0.20 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 2f77 s SER 6 Cb -0.17 -1.37 0.52 0.00 0.10 0.00 0.00 66.02 65.10 2f77 s SER 6 CO 0.13 -1.64 1.80 1.56 0.98 0.00 0.00 173.24 176.07 2f77 h GLN 7 N -0.77 0.79 -0.26 4.02 4.20 -1.99 0.19 115.11 121.29 2f77 h GLN 7 Ca -0.45 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.17 2f77 h GLN 7 Cb 1.31 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2f77 h GLN 7 CO 0.63 0.52 -0.01 1.25 -0.67 0.00 0.00 178.83 180.56 2f77 h HIS 8 N 0.82 0.52 -0.49 2.96 2.76 -2.00 -2.13 115.15 117.58 2f77 h HIS 8 Ca 0.47 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 2f77 h HIS 8 Cb 0.53 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2f77 h HIS 8 CO -0.04 0.64 0.15 0.93 -1.30 0.00 0.00 177.93 178.30 2f77 h GLU 9 N 0.25 0.73 -0.46 5.26 5.08 -1.60 -2.12 114.58 121.71 2f77 h GLU 9 Ca 0.07 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2f77 h GLU 9 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2f77 h GLU 9 CO 0.02 0.64 -0.02 0.00 -1.00 0.00 0.00 179.01 178.64 2f77 h ARG 10 N 0.71 0.78 -0.75 2.33 3.08 -0.44 -2.66 114.38 117.43 2f77 h ARG 10 Ca 0.17 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2f77 h ARG 10 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2f77 h ARG 10 CO -0.01 0.80 0.41 -0.92 -1.07 0.00 0.00 179.97 179.18 2f77 h TYR 11 N 0.72 1.03 -0.68 3.04 3.20 -0.71 -2.36 116.97 121.22 2f77 h TYR 11 Ca 0.14 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2f77 h TYR 11 Cb 0.48 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2f77 h TYR 11 CO 0.02 0.73 0.44 0.28 -1.64 0.00 0.00 178.16 178.00 2f77 h VAL 12 N 1.03 1.15 -0.44 1.81 2.07 -1.24 -0.51 116.25 120.13 2f77 h VAL 12 Ca 0.26 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2f77 h VAL 12 Cb 0.04 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 2f77 h VAL 12 CO -0.04 0.16 0.17 -0.08 0.02 0.00 0.00 177.57 177.80 2f77 h GLU 13 N 0.90 0.33 -0.61 1.57 4.81 -1.19 0.15 114.58 120.55 2f77 h GLU 13 Ca 0.26 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2f77 h GLU 13 Cb -0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2f77 h GLU 13 CO -0.07 0.22 0.15 0.37 -0.73 0.00 0.00 179.01 178.96 2f77 h GLN 14 N 0.34 0.94 -0.70 1.92 4.15 -1.05 -2.36 115.11 118.36 2f77 h GLN 14 Ca 0.20 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2f77 h GLN 14 Cb 0.18 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2f77 h GLN 14 CO -0.19 0.83 0.30 1.25 -1.93 0.00 0.00 178.83 179.10 2f77 h LEU 15 N 0.90 0.95 -1.23 -2.39 5.85 0.30 -2.21 115.31 117.47 2f77 h LEU 15 Ca 0.20 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2f77 h LEU 15 Cb 0.32 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2f77 h LEU 15 CO -0.00 0.84 0.52 0.50 -0.34 0.00 0.00 178.44 179.96 2f77 h LYS 16 N 0.99 1.02 -0.53 1.25 3.64 -0.27 -1.50 116.57 121.17 2f77 h LYS 16 Ca 0.24 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2f77 h LYS 16 Cb 0.17 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2f77 h LYS 16 CO -0.02 0.67 0.33 1.96 -2.27 0.00 0.00 179.45 180.12 2f77 h GLN 17 N 1.05 0.64 -0.58 1.90 4.20 -0.96 -0.69 115.11 120.67 2f77 h GLN 17 Ca 0.29 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2f77 h GLN 17 Cb -0.09 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 2f77 h GLN 17 CO -0.07 0.42 0.17 0.00 -0.67 0.00 0.00 178.83 178.68 2f77 h ALA 18 N 1.22 1.21 -0.76 3.87 0.00 -1.13 -2.32 119.26 121.34 2f77 h ALA 18 Ca 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2f77 h ALA 18 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2f77 h ALA 18 CO -0.08 0.55 0.32 -0.07 0.00 0.00 0.00 179.25 179.98 2f77 h LEU 19 N 0.85 1.02 -0.78 0.00 3.38 -0.31 -2.26 115.31 117.21 2f77 h LEU 19 Ca 0.19 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2f77 h LEU 19 Cb 0.27 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2f77 h LEU 19 CO -0.01 0.89 0.49 0.11 0.09 0.00 0.00 178.44 180.01 2f77 h LYS 20 N 1.09 0.91 -0.13 1.13 1.57 -0.61 -0.38 116.57 120.15 2f77 h LYS 20 Ca 0.26 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2f77 h LYS 20 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2f77 h LYS 20 CO -0.03 0.60 -0.10 1.79 -0.57 0.00 0.00 179.45 181.14 2f77 h THR 21 N 0.93 1.16 0.00 -0.16 1.35 -1.22 -0.65 112.91 114.33 2f77 h THR 21 Ca 0.32 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2f77 h THR 21 Cb 0.05 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2f77 h THR 21 CO -0.13 0.21 0.00 0.03 -0.25 0.00 0.00 175.52 175.38 2f77 h ARG 22 N 0.20 0.00 0.00 4.72 3.08 -0.63 -3.46 114.38 118.29 2f77 h ARG 22 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2f77 h ARG 22 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2f77 h ARG 22 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2f77 n GLY 23 N 0.42 0.86 3.19 0.04 0.00 -0.25 -5.11 105.19 104.34 2f77 n GLY 23 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.71 1.78 -0.36 1.61 1.01 -0.84 -4.98 120.40 117.92 2f77 s VAL 24 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2f77 s VAL 24 Cb 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.97 2f77 s VAL 24 CO 0.00 0.50 0.18 -0.54 0.00 0.00 0.00 175.10 175.24 2f77 s LYS 25 N 0.15 0.76 0.11 2.72 1.02 -1.26 -4.12 119.74 119.13 2f77 s LYS 25 Ca -0.10 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.56 2f77 s LYS 25 Cb -0.15 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 2f77 s LYS 25 CO 0.05 -1.11 -0.06 0.14 -0.92 0.00 0.00 175.35 173.45 2f77 s VAL 26 N 1.14 0.73 0.54 3.17 -7.23 -1.26 -5.02 120.40 112.47 2f77 s VAL 26 Ca 0.14 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.18 2f77 s VAL 26 Cb -0.21 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 2f77 s VAL 26 CO -0.11 -0.80 1.08 -0.54 -0.31 0.00 0.00 175.10 174.41 2f77 s LYS 27 N -3.84 3.47 0.18 4.82 1.02 -1.26 -4.94 119.74 119.20 2f77 s LYS 27 Ca 0.14 1.41 -0.09 0.00 0.02 0.00 0.00 55.97 57.45 2f77 s LYS 27 Cb 0.05 -2.04 0.08 0.00 -0.52 0.00 0.00 37.83 35.40 2f77 s LYS 27 CO -0.03 -0.71 1.66 -0.92 -0.92 0.00 0.00 175.35 174.43 2f77 h TYR 28 N 1.07 1.17 -0.68 3.18 3.20 -2.02 -2.39 116.97 120.52 2f77 h TYR 28 Ca -0.49 -0.18 0.15 0.00 3.14 0.00 0.00 58.73 61.35 2f77 h TYR 28 Cb 1.24 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 2f77 h TYR 28 CO 0.55 1.01 0.46 0.00 -1.64 0.00 0.00 178.16 178.54 2f77 h ALA 29 N 1.02 2.28 -0.69 1.82 0.00 -2.00 0.13 119.26 121.82 2f77 h ALA 29 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2f77 h ALA 29 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2f77 h ALA 29 CO 0.02 -0.46 0.37 -0.44 0.00 0.00 0.00 179.25 178.74 2f77 h ASP 30 N 0.25 0.85 -0.41 0.00 3.32 -1.80 -0.74 116.42 117.89 2f77 h ASP 30 Ca 0.33 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2f77 h ASP 30 Cb 0.93 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2f77 h ASP 30 CO -0.07 0.70 0.20 -0.07 -1.72 0.00 0.00 179.24 178.28 2f77 h LEU 31 N 0.96 0.53 -0.65 1.55 -0.00 -0.79 0.13 115.31 117.04 2f77 h LEU 31 Ca 0.24 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 57.95 2f77 h LEU 31 Cb 0.04 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2f77 h LEU 31 CO -0.04 0.50 0.21 -0.07 -0.00 0.00 0.00 178.44 179.05 2f77 h LEU 32 N 0.52 0.95 -1.16 1.67 3.38 -1.30 -2.39 115.31 116.98 2f77 h LEU 32 Ca 0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2f77 h LEU 32 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2f77 h LEU 32 CO -0.02 0.90 0.09 0.11 0.09 0.00 0.00 178.44 179.60 2f77 h LYS 33 N 0.94 0.67 -0.24 1.13 1.57 -0.78 -2.64 116.57 117.23 2f77 h LYS 33 Ca 0.21 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2f77 h LYS 33 Cb 0.28 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2f77 h LYS 33 CO -0.01 0.63 0.02 0.35 -0.57 0.00 0.00 179.45 179.87 2f77 h PHE 34 N 0.65 0.02 -0.79 -1.35 3.57 -0.45 -0.13 116.94 118.46 2f77 h PHE 34 Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2f77 h PHE 34 Cb 0.28 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2f77 h PHE 34 CO 0.01 -0.02 0.52 0.74 -2.23 0.00 0.00 178.31 177.34 2f77 h PHE 35 N 0.10 0.99 -0.58 0.41 0.04 -1.33 -1.57 116.94 114.99 2f77 h PHE 35 Ca 0.11 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2f77 h PHE 35 Cb 0.13 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 2f77 h PHE 35 CO -0.18 0.62 0.38 -0.44 -0.60 0.00 0.00 178.31 178.09 2f77 h ASP 36 N 1.06 0.68 -0.42 2.17 3.32 -0.99 -1.88 116.42 120.36 2f77 h ASP 36 Ca 0.29 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2f77 h ASP 36 Cb -0.12 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2f77 h ASP 36 CO -0.06 0.50 0.24 0.15 -1.72 0.00 0.00 179.24 178.35 2f77 h PHE 37 N 0.79 0.57 -0.63 4.55 3.04 -0.50 -1.27 116.94 123.49 2f77 h PHE 37 Ca 0.21 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.22 2f77 h PHE 37 Cb -0.07 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 38.19 2f77 h PHE 37 CO -0.03 0.42 0.32 0.28 -2.02 0.00 0.00 178.31 177.27 2f77 h VAL 38 N 0.55 0.91 -0.11 1.41 2.07 -0.84 0.77 116.25 121.00 2f77 h VAL 38 Ca 0.15 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2f77 h VAL 38 Cb 0.02 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2f77 h VAL 38 CO -0.03 0.11 -0.15 0.50 0.02 0.00 0.00 177.57 178.02 2f77 h LYS 39 N 0.58 0.18 0.00 1.57 3.64 -0.92 -1.19 116.57 120.43 2f77 h LYS 39 Ca 0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2f77 h LYS 39 Cb 0.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2f77 h LYS 39 CO -0.22 0.33 0.00 -0.44 -2.27 0.00 0.00 179.45 176.85 2f77 h ASP 40 N 0.17 0.00 -0.15 4.20 3.32 0.30 -2.53 116.42 121.73 2f77 h ASP 40 Ca 0.03 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.13 2f77 h ASP 40 Cb 0.37 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 2f77 h ASP 40 CO 0.02 0.00 -0.18 0.74 -1.72 0.00 0.00 179.24 178.11 2f77 h THR 41 N 0.00 0.54 0.00 0.35 2.02 -0.25 -3.28 112.91 112.29 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 0.52 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2f77 h THR 41 CO 0.00 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.71 2f77 h PRO 43 N -0.18 -0.05 -4.24 0.00 0.11 -1.67 -3.35 132.00 122.63 2f77 h PRO 43 Ca 0.00 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 2f77 h PRO 43 Cb 0.18 0.01 -0.38 0.00 0.11 0.00 0.00 31.00 30.92 2f77 h PRO 43 CO 0.00 -0.03 -0.79 -1.58 -0.21 0.00 0.00 178.00 175.39 2f77 s TRP 44 N -5.93 1.99 0.16 0.65 0.51 -1.09 -5.01 118.94 110.23 2f77 s TRP 44 Ca -0.14 -1.37 -0.14 0.00 -2.12 0.00 0.00 56.10 52.33 2f77 s TRP 44 Cb 0.19 -1.43 0.05 0.00 -0.81 0.00 0.00 33.47 31.46 2f77 s TRP 44 CO 0.70 -0.69 1.77 0.35 -0.51 0.00 0.00 176.95 178.58 2f77 h PHE 45 N 8.05 0.68 -3.92 -1.98 3.57 -1.70 -3.37 116.94 118.28 2f77 h PHE 45 Ca -0.22 -0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.72 2f77 h PHE 45 Cb 1.10 -0.22 0.12 0.00 2.79 0.00 0.00 35.95 39.74 2f77 h PHE 45 CO 0.46 0.50 0.72 -2.30 -2.23 0.00 0.00 178.31 175.46 2f77 n PRO 46 N -4.66 2.39 -3.76 6.41 -0.02 -1.26 -4.89 135.00 129.21 2f77 n PRO 46 Ca 0.02 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 62.12 2f77 n PRO 46 Cb 0.08 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 30.91 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 -2.31 3.46 -0.20 -0.52 -1.52 -1.26 -4.89 119.66 112.42 2f77 s GLN 47 Ca 0.58 -0.58 -0.14 0.00 -1.95 0.00 0.00 55.36 53.27 2f77 s GLN 47 Cb -0.46 -2.82 0.06 0.00 -0.22 0.00 0.00 33.01 29.57 2f77 s GLN 47 CO 0.60 0.35 0.51 -2.00 -0.25 0.00 0.00 175.29 174.50 2f77 s GLU 48 N -3.98 0.54 0.00 2.91 2.12 -1.26 -5.13 118.70 113.90 2f77 s GLU 48 Ca 0.36 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.55 2f77 s GLU 48 Cb -0.09 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2f77 s GLU 48 CO 0.31 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.32 2f77 n GLY 49 N 3.73 2.49 3.78 -1.50 0.00 -1.26 -4.92 105.19 107.50 2f77 n GLY 49 Ca -0.19 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.52 5.06 -0.16 2.61 2.01 -1.26 -5.06 115.64 116.32 2f77 s THR 50 Ca 0.00 0.96 -0.07 0.00 0.31 0.00 0.00 61.69 62.89 2f77 s THR 50 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2f77 s THR 50 CO 0.00 0.45 0.09 -0.51 -0.69 0.00 0.00 174.62 173.96 2f77 s ILE 51 N -0.25 5.08 0.22 1.82 -1.16 -1.26 -5.06 121.20 120.60 2f77 s ILE 51 Ca 0.26 0.06 -0.30 0.00 -0.51 0.00 0.00 60.65 60.16 2f77 s ILE 51 Cb -0.16 -3.25 -0.09 0.00 0.61 0.00 0.00 42.46 39.57 2f77 s ILE 51 CO 0.13 0.52 1.08 -1.81 -2.81 0.00 0.00 174.94 172.05 2f77 s ASP 52 N -0.21 7.31 0.31 4.50 1.01 -1.26 -4.93 116.67 123.40 2f77 s ASP 52 Ca 0.09 2.15 0.04 0.00 0.71 0.00 0.00 52.55 55.54 2f77 s ASP 52 Cb -0.12 -2.61 0.51 0.00 1.01 0.00 0.00 42.92 41.71 2f77 s ASP 52 CO 0.01 -0.15 1.79 0.40 0.21 0.00 0.00 175.17 177.43 2f77 h ILE 53 N 3.41 1.24 -0.62 0.77 2.04 -2.00 -2.02 117.51 120.33 2f77 h ILE 53 Ca -0.45 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 2f77 h ILE 53 Cb 1.21 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2f77 h ILE 53 CO 0.70 0.34 0.17 0.11 0.00 0.00 0.00 178.15 179.47 2f77 h LYS 54 N 0.42 0.95 0.00 2.37 1.57 -1.99 -2.04 116.57 117.85 2f77 h LYS 54 Ca 0.07 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2f77 h LYS 54 Cb 0.53 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2f77 h LYS 54 CO 0.03 0.83 -0.03 0.35 -0.57 0.00 0.00 179.45 180.07 2f77 h PHE 55 N 0.91 0.00 -0.63 -1.35 3.57 -1.87 -3.19 116.94 114.39 2f77 h PHE 55 Ca 0.20 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.80 2f77 h PHE 55 Cb 0.30 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2f77 h PHE 55 CO 0.02 0.03 0.42 2.35 -2.23 0.00 0.00 178.31 178.90 2f77 h TRP 56 N 0.00 0.47 -0.81 0.41 7.01 -0.64 -0.64 115.95 121.75 2f77 h TRP 56 Ca -0.00 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.02 2f77 h TRP 56 Cb 0.93 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 2f77 h TRP 56 CO 0.00 0.22 0.54 0.00 -2.79 0.00 0.00 178.44 176.41 2f77 h ARG 57 N 0.44 1.06 -0.59 2.65 3.08 -1.63 -1.21 114.38 118.18 2f77 h ARG 57 Ca 0.29 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 2f77 h ARG 57 Cb 0.56 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2f77 h ARG 57 CO -0.08 0.70 -0.03 0.00 -1.07 0.00 0.00 179.97 179.49 2f77 h ARG 58 N 1.09 1.05 -0.58 0.04 3.08 -1.32 -2.59 114.38 115.15 2f77 h ARG 58 Ca 0.30 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2f77 h ARG 58 Cb -0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2f77 h ARG 58 CO -0.07 1.04 0.26 0.28 -1.07 0.00 0.00 179.97 180.41 2f77 h VAL 59 N 0.95 1.22 -0.36 2.04 2.07 -0.99 0.28 116.25 121.44 2f77 h VAL 59 Ca 0.16 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2f77 h VAL 59 Cb 0.59 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2f77 h VAL 59 CO 0.04 0.25 0.22 1.23 0.02 0.00 0.00 177.57 179.33 2f77 h GLY 60 N 0.79 0.51 0.99 2.17 0.00 -1.04 0.38 103.07 106.86 2f77 h GLY 60 Ca 0.20 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 2f77 h GLY 60 CO -0.02 0.15 -0.32 -0.55 0.00 0.00 0.00 176.54 175.80 2f77 h ASP 61 N 0.45 0.79 -0.12 0.19 3.32 -1.19 -1.74 116.42 118.12 2f77 h ASP 61 Ca 0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 2f77 h ASP 61 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2f77 h ASP 61 CO -0.06 1.11 0.04 0.00 -1.72 0.00 0.00 179.24 178.61 2f77 h PHE 63 N 0.02 1.16 -0.86 0.00 -1.00 -0.27 -2.00 116.94 113.99 2f77 h PHE 63 Ca 0.04 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2f77 h PHE 63 Cb 0.21 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.36 2f77 h PHE 63 CO -0.00 0.82 0.44 0.37 -1.61 0.00 0.00 178.31 178.33 2f77 h GLN 64 N 1.18 1.21 -0.48 1.51 4.15 -1.04 -0.63 115.11 121.01 2f77 h GLN 64 Ca 0.29 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 2f77 h GLN 64 Cb 0.06 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2f77 h GLN 64 CO -0.04 0.91 0.20 -0.44 -1.93 0.00 0.00 178.83 177.52 2f77 h ASP 65 N 1.21 0.66 -0.21 -0.69 3.32 -0.59 -2.48 116.42 117.64 2f77 h ASP 65 Ca 0.30 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2f77 h ASP 65 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2f77 h ASP 65 CO -0.04 0.64 -0.09 1.88 -1.72 0.00 0.00 179.24 179.90 2f77 h TYR 66 N 0.63 0.62 0.38 4.55 0.05 -0.92 -0.45 116.97 121.83 2f77 h TYR 66 Ca 0.16 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2f77 h TYR 66 Cb 0.18 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 2f77 h TYR 66 CO 0.00 0.65 -0.22 -0.92 -1.05 0.00 0.00 178.16 176.62 2f77 h TYR 67 N 0.53 -0.59 -0.42 4.88 3.20 -0.70 0.17 116.97 124.05 2f77 h TYR 67 Ca 0.10 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 2f77 h TYR 67 Cb 0.48 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2f77 h TYR 67 CO 0.02 -0.35 -0.07 -0.91 -1.64 0.00 0.00 178.16 175.21 2f77 h ASN 68 N -0.57 0.71 -0.17 -2.11 2.35 -1.33 2.02 115.58 116.48 2f77 h ASN 68 Ca -0.04 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 2f77 h ASN 68 Cb 0.47 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2f77 h ASN 68 CO 0.05 0.82 0.07 0.74 -1.65 0.00 0.00 177.43 177.46 2f77 h THR 69 N 0.67 1.15 0.00 2.81 2.02 -0.68 -3.39 112.91 115.48 2f77 h THR 69 Ca 0.12 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 2f77 h THR 69 Cb 0.51 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2f77 h THR 69 CO 0.03 0.14 -1.14 0.49 0.37 0.00 0.00 175.52 175.41 2f77 n PHE 70 N -4.87 0.00 -0.05 3.16 3.72 0.57 -5.08 117.46 114.91 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 0.11 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 2.64 0.97 0.19 1.37 0.00 0.68 -4.84 105.19 106.20 2f77 n GLY 71 Ca -0.12 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 4.68 0.00 0.46 1.61 0.11 -1.78 -3.18 132.00 133.89 2f77 h PRO 72 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2f77 h PRO 72 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2f77 h PRO 72 CO 0.00 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 178.50 2f77 h GLU 73 N 0.00 -0.59 -0.49 1.05 5.08 -1.93 0.31 114.58 118.01 2f77 h GLU 73 Ca 0.00 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2f77 h GLU 73 Cb 0.30 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2f77 h GLU 73 CO 0.00 -0.38 0.17 0.87 -1.00 0.00 0.00 179.01 178.67 2f77 h LYS 74 N -0.64 0.76 -1.93 2.33 1.79 -1.89 -3.40 116.57 113.59 2f77 h LYS 74 Ca -0.06 -0.15 -0.34 0.00 -2.18 0.00 0.00 60.65 57.91 2f77 h LYS 74 Cb 0.48 -0.11 -0.31 0.00 -1.58 0.00 0.00 32.23 30.71 2f77 h LYS 74 CO 0.10 0.70 -0.66 0.14 -1.08 0.00 0.00 179.45 178.65 2f77 s VAL 75 N -5.46 -0.39 0.00 0.50 -7.23 -1.11 -4.95 120.40 101.77 2f77 s VAL 75 Ca -0.13 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2f77 s VAL 75 Cb 0.11 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.34 2f77 s VAL 75 CO 0.78 -0.53 0.00 -0.81 -0.31 0.00 0.00 175.10 174.23 2f77 n PRO 76 N 4.48 0.52 0.07 4.82 -0.04 0.11 -4.46 135.00 140.49 2f77 n PRO 76 Ca 0.08 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 2f77 n PRO 76 Cb 0.46 0.00 0.42 0.00 -0.04 0.00 0.00 33.50 34.34 2f77 n PRO 76 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2f77 n VAL 77 N -1.23 0.86 0.07 0.52 0.24 -1.26 -2.53 118.33 115.00 2f77 n VAL 77 Ca 0.00 0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 62.50 2f77 n VAL 77 Cb 0.00 -1.05 0.28 0.00 -1.47 0.00 0.00 33.84 31.60 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2f77 h THR 78 N 0.00 1.24 -0.39 3.34 1.35 -1.95 -2.67 112.91 113.83 2f77 h THR 78 Ca 0.00 -1.09 0.04 0.00 -0.55 0.00 0.00 66.41 64.81 2f77 h THR 78 Cb 0.34 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 2f77 h THR 78 CO 0.00 0.34 0.16 0.00 -0.25 0.00 0.00 175.52 175.77 2f77 h ALA 79 N 1.47 0.46 -0.30 6.62 0.00 -1.84 0.29 119.26 125.96 2f77 h ALA 79 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2f77 h ALA 79 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2f77 h ALA 79 CO 0.04 -0.22 0.06 0.74 0.00 0.00 0.00 179.25 179.86 2f77 h PHE 80 N 0.33 0.52 -0.30 0.00 0.04 -1.69 0.37 116.94 116.21 2f77 h PHE 80 Ca 0.17 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.88 2f77 h PHE 80 Cb 0.13 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2f77 h PHE 80 CO -0.13 0.57 0.19 0.77 -0.60 0.00 0.00 178.31 179.11 2f77 h SER 81 N 0.32 0.32 -0.74 2.17 0.02 -1.10 -0.54 113.55 114.00 2f77 h SER 81 Ca 0.09 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2f77 h SER 81 Cb 0.32 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2f77 h SER 81 CO 0.00 0.24 0.30 1.88 -1.14 0.00 0.00 176.83 178.11 2f77 h TYR 82 N 0.39 1.12 -0.72 3.45 -1.99 -0.28 -2.34 116.97 116.59 2f77 h TYR 82 Ca 0.11 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2f77 h TYR 82 Cb -0.03 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.33 2f77 h TYR 82 CO -0.06 0.85 0.37 2.35 -0.00 0.00 0.00 178.16 181.67 2f77 h TRP 83 N 1.06 1.00 -0.80 4.88 2.91 -0.41 -1.88 115.95 122.71 2f77 h TRP 83 Ca 0.25 -0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.32 2f77 h TRP 83 Cb 0.20 -0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 28.47 2f77 h TRP 83 CO 0.02 0.71 0.47 -0.91 -1.03 0.00 0.00 178.44 177.69 2f77 h ASN 84 N 1.01 0.69 -0.67 2.65 2.35 -0.56 0.13 115.58 121.18 2f77 h ASN 84 Ca 0.25 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 2f77 h ASN 84 Cb 0.06 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2f77 h ASN 84 CO -0.04 0.42 0.26 -0.07 -1.65 0.00 0.00 177.43 176.35 2f77 h LEU 85 N 0.82 0.93 -0.50 1.61 3.38 -1.19 -2.74 115.31 117.62 2f77 h LEU 85 Ca 0.37 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2f77 h LEU 85 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2f77 h LEU 85 CO -0.21 0.85 0.17 0.40 0.09 0.00 0.00 178.44 179.74 2f77 h ILE 86 N 0.96 1.22 -0.94 1.22 1.08 -0.70 -2.34 117.51 118.01 2f77 h ILE 86 Ca 0.22 -0.73 0.18 0.00 -0.39 0.00 0.00 64.86 64.14 2f77 h ILE 86 Cb 0.22 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 34.65 2f77 h ILE 86 CO -0.02 0.27 0.60 0.50 -0.69 0.00 0.00 178.15 178.81 2f77 h LYS 87 N 0.67 0.64 -0.28 2.37 3.64 -0.52 -0.38 116.57 122.71 2f77 h LYS 87 Ca 0.16 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 2f77 h LYS 87 Cb 0.25 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2f77 h LYS 87 CO -0.01 0.42 -0.33 0.93 -2.27 0.00 0.00 179.45 178.19 2f77 h GLU 88 N 0.65 0.72 -0.18 1.90 5.08 -1.19 0.13 114.58 121.69 2f77 h GLU 88 Ca 0.50 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2f77 h GLU 88 Cb 0.90 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2f77 h GLU 88 CO -0.26 1.02 0.10 -0.07 -1.00 0.00 0.00 179.01 178.81 2f77 h LEU 89 N 0.46 0.23 -0.38 1.33 4.07 -0.74 0.29 115.31 120.57 2f77 h LEU 89 Ca 0.04 -0.07 -0.19 0.00 0.08 0.00 0.00 57.88 57.74 2f77 h LEU 89 Cb 0.91 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.60 2f77 h LEU 89 CO 0.08 0.23 -0.68 0.16 -1.08 0.00 0.00 178.44 177.15 2f77 h ILE 90 N 0.20 1.33 -0.79 1.22 3.07 -1.26 -2.88 117.51 118.40 2f77 h ILE 90 Ca 0.06 -1.98 -0.04 0.00 1.55 0.00 0.00 64.86 64.45 2f77 h ILE 90 Cb 0.05 1.96 -0.04 0.00 -0.27 0.00 0.00 36.82 38.52 2f77 h ILE 90 CO -0.01 0.61 0.32 0.44 -1.05 0.00 0.00 178.15 178.46 2f77 h ASP 91 N 0.40 1.08 -0.71 2.16 5.19 -0.48 -2.56 116.42 121.51 2f77 h ASP 91 Ca -0.02 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.18 2f77 h ASP 91 Cb 1.26 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.46 2f77 h ASP 91 CO 0.13 0.96 0.25 0.11 -3.12 0.00 0.00 179.24 177.57 2f77 h LYS 92 N 1.15 1.07 -5.61 3.56 1.79 -0.86 -3.39 116.57 114.28 2f77 h LYS 92 Ca 0.26 -0.21 -0.61 0.00 -2.18 0.00 0.00 60.65 57.91 2f77 h LYS 92 Cb 0.21 -0.16 -0.11 0.00 -1.58 0.00 0.00 32.23 30.58 2f77 h LYS 92 CO -0.02 0.91 0.25 0.21 -1.08 0.00 0.00 179.45 179.71 2f77 s LYS 93 N -5.48 3.94 0.29 3.15 2.20 -0.96 -5.02 119.74 117.85 2f77 s LYS 93 Ca -0.12 0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.63 2f77 s LYS 93 Cb 0.14 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 2f77 s LYS 93 CO 0.83 -0.60 1.31 -1.83 -0.36 0.00 0.00 175.35 174.69 2f77 s GLU 94 N 2.74 4.37 0.12 4.03 -1.05 -1.26 -4.83 118.70 122.82 2f77 s GLU 94 Ca 0.28 2.17 0.01 0.00 -0.15 0.00 0.00 54.97 57.28 2f77 s GLU 94 Cb -0.15 -3.11 -0.04 0.00 -0.44 0.00 0.00 34.13 30.39 2f77 s GLU 94 CO 0.12 -0.20 -0.02 0.54 0.95 0.00 0.00 175.26 176.65 2f77 s VAL 95 N -0.73 0.51 -0.60 1.83 0.11 -1.26 -5.11 120.40 115.16 2f77 s VAL 95 Ca 0.52 -1.93 0.04 0.00 -2.93 0.00 0.00 61.98 57.68 2f77 s VAL 95 Cb -0.39 -1.87 0.16 0.00 -1.53 0.00 0.00 36.38 32.75 2f77 s VAL 95 CO 0.48 -0.68 0.41 0.21 -3.33 0.00 0.00 175.10 172.19 2f77 s ASN 96 N -3.07 3.94 0.00 3.54 2.47 -1.26 -5.03 114.94 115.53 2f77 s ASN 96 Ca 0.17 -3.48 0.00 0.00 0.42 0.00 0.00 52.86 49.98 2f77 s ASN 96 Cb 0.06 -1.32 0.00 0.00 -1.45 0.00 0.00 41.25 38.55 2f77 s ASN 96 CO -0.01 -0.14 0.00 -2.65 -3.72 0.00 0.00 177.10 170.58 2f77 n PRO 97 N 2.43 2.35 -0.00 0.43 -0.02 -1.23 -4.85 135.00 134.11 2f77 n PRO 97 Ca 0.19 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 2f77 n PRO 97 Cb 0.37 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.77 2f77 n PRO 97 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2f77 h GLN 98 N 0.00 0.04 -5.01 -0.52 4.20 -1.98 -3.42 115.11 108.41 2f77 h GLN 98 Ca 0.00 -0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.09 2f77 h GLN 98 Cb 0.00 -0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.45 2f77 h GLN 98 CO 0.00 0.32 -0.85 0.08 -0.67 0.00 0.00 178.83 177.71 2f77 s VAL 99 N -5.02 1.64 0.00 -0.54 1.01 -1.26 -5.25 120.40 110.98 2f77 s VAL 99 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2f77 s VAL 99 Cb 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2f77 s VAL 99 CO 0.68 0.47 0.00 0.23 0.00 0.00 0.00 175.10 176.47