#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 3.25 3.03 0.00 -1.26 -5.02 105.19 105.76 2f77 n GLY 2 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.60 1.07 0.40 1.61 -0.21 -1.26 -5.13 119.66 114.55 2f77 s GLN 3 Ca 0.00 -1.36 -0.25 0.00 0.02 0.00 0.00 55.36 53.78 2f77 s GLN 3 Cb 0.00 -0.81 -0.08 0.00 1.00 0.00 0.00 33.01 33.11 2f77 s GLN 3 CO 0.00 0.13 1.12 -1.21 -2.12 0.00 0.00 175.29 173.21 2f77 s GLU 4 N -3.19 4.08 -0.80 2.91 2.02 -1.26 -4.96 118.70 117.50 2f77 s GLU 4 Ca 0.13 1.69 -0.20 0.00 0.02 0.00 0.00 54.97 56.61 2f77 s GLU 4 Cb -0.02 -2.60 0.10 0.00 0.10 0.00 0.00 34.13 31.71 2f77 s GLU 4 CO 0.02 -0.26 1.05 -0.51 0.02 0.00 0.00 175.26 175.58 2f77 s LEU 5 N -2.59 4.74 0.96 1.80 1.43 -1.26 -4.95 118.68 118.82 2f77 s LEU 5 Ca 0.58 -1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 51.98 2f77 s LEU 5 Cb -0.27 -2.41 0.19 0.00 0.03 0.00 0.00 46.19 43.73 2f77 s LEU 5 CO 0.34 -1.24 1.26 -0.94 0.23 0.00 0.00 176.35 176.00 2f77 s SER 6 N 3.70 3.08 0.20 2.29 1.04 -1.26 -4.67 113.70 118.09 2f77 s SER 6 Ca 0.27 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 57.04 2f77 s SER 6 Cb -0.11 -0.61 0.25 0.00 0.10 0.00 0.00 66.02 65.66 2f77 s SER 6 CO -0.00 -2.77 1.75 1.56 0.98 0.00 0.00 173.24 174.76 2f77 h GLN 7 N -1.66 0.40 -0.50 4.02 4.20 -2.00 0.12 115.11 119.68 2f77 h GLN 7 Ca -0.45 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.17 2f77 h GLN 7 Cb 1.26 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2f77 h GLN 7 CO 0.43 0.26 0.07 1.25 -0.67 0.00 0.00 178.83 180.17 2f77 h HIS 8 N 0.41 0.90 -0.95 2.96 2.76 -2.00 -2.72 115.15 116.50 2f77 h HIS 8 Ca 0.29 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2f77 h HIS 8 Cb 0.34 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 2f77 h HIS 8 CO -0.16 0.82 0.60 0.93 -1.30 0.00 0.00 177.93 178.82 2f77 h GLU 9 N 0.72 1.27 -0.79 5.26 4.39 -1.57 -2.01 114.58 121.85 2f77 h GLU 9 Ca 0.15 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2f77 h GLU 9 Cb 0.42 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2f77 h GLU 9 CO 0.01 0.87 0.52 0.00 -1.16 0.00 0.00 179.01 179.25 2f77 h ARG 10 N 1.30 1.01 -0.57 2.33 3.08 -0.54 -1.29 114.38 119.70 2f77 h ARG 10 Ca 0.34 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.36 2f77 h ARG 10 Cb -0.10 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.69 2f77 h ARG 10 CO -0.07 0.67 0.38 -0.92 -1.07 0.00 0.00 179.97 178.96 2f77 h TYR 11 N 1.04 0.67 -0.52 3.04 3.20 -1.08 -1.86 116.97 121.47 2f77 h TYR 11 Ca 0.30 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2f77 h TYR 11 Cb -0.09 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 2f77 h TYR 11 CO -0.02 0.41 0.33 0.28 -1.64 0.00 0.00 178.16 177.52 2f77 h VAL 12 N 0.71 1.15 -0.39 1.81 2.07 -0.92 0.15 116.25 120.83 2f77 h VAL 12 Ca 0.22 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2f77 h VAL 12 Cb 0.02 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2f77 h VAL 12 CO -0.06 0.14 0.11 -0.08 0.02 0.00 0.00 177.57 177.71 2f77 h GLU 13 N 0.70 0.24 -0.42 1.57 4.57 -1.11 0.90 114.58 121.03 2f77 h GLU 13 Ca 0.19 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.26 2f77 h GLU 13 Cb -0.05 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2f77 h GLU 13 CO -0.04 0.16 -0.12 0.37 -1.18 0.00 0.00 179.01 178.20 2f77 h GLN 14 N 0.25 0.77 -0.68 1.92 5.75 -1.22 -2.47 115.11 119.43 2f77 h GLN 14 Ca 0.18 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2f77 h GLN 14 Cb 0.19 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2f77 h GLN 14 CO -0.21 0.85 0.39 1.25 -2.65 0.00 0.00 178.83 178.47 2f77 h LEU 15 N 0.69 0.84 -0.71 -2.39 5.85 0.47 -2.36 115.31 117.71 2f77 h LEU 15 Ca 0.12 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2f77 h LEU 15 Cb 0.60 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2f77 h LEU 15 CO 0.04 0.67 0.37 0.50 -0.34 0.00 0.00 178.44 179.69 2f77 h LYS 16 N 0.94 1.00 -0.38 1.25 3.64 -0.56 -1.10 116.57 121.35 2f77 h LYS 16 Ca 0.24 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 2f77 h LYS 16 Cb 0.01 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.56 2f77 h LYS 16 CO -0.04 0.76 -0.09 1.96 -2.27 0.00 0.00 179.45 179.77 2f77 h GLN 17 N 0.98 0.01 -0.43 1.90 4.20 -0.98 0.17 115.11 120.95 2f77 h GLN 17 Ca 0.25 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 2f77 h GLN 17 Cb 0.06 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2f77 h GLN 17 CO -0.04 0.01 0.08 0.00 -0.67 0.00 0.00 178.83 178.20 2f77 h ALA 18 N 1.38 1.32 -0.90 3.87 0.00 -1.20 -2.27 119.26 121.45 2f77 h ALA 18 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2f77 h ALA 18 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2f77 h ALA 18 CO -0.38 0.47 0.52 1.25 0.00 0.00 0.00 179.25 181.11 2f77 h LEU 19 N 0.64 1.10 -0.95 0.00 5.85 0.50 -1.90 115.31 120.55 2f77 h LEU 19 Ca 0.14 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2f77 h LEU 19 Cb 0.29 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2f77 h LEU 19 CO 0.00 0.86 0.61 0.11 -0.34 0.00 0.00 178.44 179.68 2f77 h LYS 20 N 1.25 1.09 -0.48 1.25 1.57 -0.23 -0.31 116.57 120.71 2f77 h LYS 20 Ca 0.32 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 2f77 h LYS 20 Cb -0.02 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 2f77 h LYS 20 CO -0.06 0.72 0.32 1.15 -0.57 0.00 0.00 179.45 181.01 2f77 h THR 21 N 1.13 1.02 0.00 -0.16 2.02 -1.19 0.31 112.91 116.04 2f77 h THR 21 Ca 0.40 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.41 2f77 h THR 21 Cb 0.12 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2f77 h THR 21 CO -0.16 0.09 0.00 0.54 0.37 0.00 0.00 175.52 176.36 2f77 n ARG 22 N -4.48 0.00 0.00 6.66 1.74 -0.14 -4.82 116.66 115.63 2f77 n ARG 22 Ca 0.06 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2f77 n ARG 22 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2f77 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f77 n GLY 23 N -0.02 0.79 3.22 -0.13 0.00 0.11 -5.11 105.19 104.04 2f77 n GLY 23 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.56 1.81 -0.37 1.61 1.01 -1.16 -5.01 120.40 116.74 2f77 s VAL 24 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2f77 s VAL 24 Cb 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.96 2f77 s VAL 24 CO 0.00 0.51 0.17 -0.54 0.00 0.00 0.00 175.10 175.24 2f77 s LYS 25 N -0.08 0.96 0.18 2.72 1.02 -1.26 -4.15 119.74 119.13 2f77 s LYS 25 Ca -0.04 -1.51 0.03 0.00 0.02 0.00 0.00 55.97 54.47 2f77 s LYS 25 Cb -0.13 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 2f77 s LYS 25 CO 0.03 -1.08 -0.04 0.14 -0.92 0.00 0.00 175.35 173.48 2f77 s VAL 26 N 1.01 0.94 0.46 3.17 -7.23 -1.26 -5.09 120.40 112.40 2f77 s VAL 26 Ca 0.14 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 2f77 s VAL 26 Cb -0.21 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.58 2f77 s VAL 26 CO -0.11 -0.55 1.08 -0.54 -0.31 0.00 0.00 175.10 174.67 2f77 s LYS 27 N -3.84 3.86 0.27 4.82 1.02 -1.26 -4.92 119.74 119.69 2f77 s LYS 27 Ca 0.22 1.53 -0.03 0.00 0.02 0.00 0.00 55.97 57.71 2f77 s LYS 27 Cb 0.05 -2.30 0.38 0.00 -0.52 0.00 0.00 37.83 35.44 2f77 s LYS 27 CO 0.04 -0.41 1.93 -0.92 -0.92 0.00 0.00 175.35 175.07 2f77 h TYR 28 N 1.94 1.16 -0.43 3.18 3.20 -2.02 -0.25 116.97 123.75 2f77 h TYR 28 Ca -0.49 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.53 2f77 h TYR 28 Cb 1.23 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 2f77 h TYR 28 CO 0.56 0.69 0.32 0.00 -1.64 0.00 0.00 178.16 178.08 2f77 h ALA 29 N 1.44 2.37 -0.60 1.82 0.00 -1.99 -0.27 119.26 122.03 2f77 h ALA 29 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2f77 h ALA 29 Cb -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2f77 h ALA 29 CO -0.10 -0.54 0.35 0.22 0.00 0.00 0.00 179.25 179.18 2f77 h ASP 30 N 0.00 0.74 -0.42 0.00 3.58 -1.40 0.13 116.42 119.05 2f77 h ASP 30 Ca 0.20 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2f77 h ASP 30 Cb 0.83 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2f77 h ASP 30 CO -0.00 0.59 0.23 -0.07 -2.88 0.00 0.00 179.24 177.11 2f77 h LEU 31 N 0.82 0.53 -0.61 2.28 -0.00 -1.10 0.67 115.31 117.90 2f77 h LEU 31 Ca 0.22 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.96 2f77 h LEU 31 Cb 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.50 2f77 h LEU 31 CO -0.04 0.47 0.21 -0.07 -0.00 0.00 0.00 178.44 179.01 2f77 h LEU 32 N 0.55 0.87 -1.10 1.67 3.38 -1.27 -2.41 115.31 117.00 2f77 h LEU 32 Ca 0.15 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2f77 h LEU 32 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2f77 h LEU 32 CO -0.02 0.83 0.07 0.11 0.09 0.00 0.00 178.44 179.52 2f77 h LYS 33 N 0.86 0.71 -0.42 1.13 1.57 -0.35 -2.07 116.57 118.00 2f77 h LYS 33 Ca 0.20 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2f77 h LYS 33 Cb 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2f77 h LYS 33 CO -0.01 0.67 0.20 0.35 -0.57 0.00 0.00 179.45 180.09 2f77 h PHE 34 N 0.68 0.36 -0.51 -1.35 3.57 -0.37 0.34 116.94 119.66 2f77 h PHE 34 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2f77 h PHE 34 Cb 0.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2f77 h PHE 34 CO 0.02 0.18 0.01 0.74 -2.23 0.00 0.00 178.31 177.02 2f77 h PHE 35 N 0.40 0.98 -0.47 0.41 0.04 -1.26 -1.52 116.94 115.52 2f77 h PHE 35 Ca 0.18 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2f77 h PHE 35 Cb 0.11 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 2f77 h PHE 35 CO -0.11 0.91 0.18 -0.44 -0.60 0.00 0.00 178.31 178.25 2f77 h ASP 36 N 0.77 0.66 -0.59 2.17 3.32 -0.71 -1.84 116.42 120.18 2f77 h ASP 36 Ca 0.15 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2f77 h ASP 36 Cb 0.51 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2f77 h ASP 36 CO 0.02 0.65 0.34 0.15 -1.72 0.00 0.00 179.24 178.68 2f77 h PHE 37 N 0.62 0.80 -0.28 4.55 3.57 -0.17 0.26 116.94 126.30 2f77 h PHE 37 Ca 0.16 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2f77 h PHE 37 Cb 0.20 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2f77 h PHE 37 CO 0.00 0.57 0.16 0.28 -2.23 0.00 0.00 178.31 177.10 2f77 h VAL 38 N 0.80 1.04 -0.35 1.41 2.07 -0.98 0.11 116.25 120.35 2f77 h VAL 38 Ca 0.21 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 2f77 h VAL 38 Cb 0.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2f77 h VAL 38 CO -0.04 0.06 -0.24 0.11 0.02 0.00 0.00 177.57 177.48 2f77 h LYS 39 N 0.34 0.69 0.00 1.57 1.57 -1.04 -2.30 116.57 117.40 2f77 h LYS 39 Ca 0.11 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2f77 h LYS 39 Cb -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2f77 h LYS 39 CO -0.05 0.87 0.00 -0.44 -0.57 0.00 0.00 179.45 179.27 2f77 h ASP 40 N 0.60 0.00 -0.44 0.86 3.32 0.13 -2.44 116.42 118.45 2f77 h ASP 40 Ca 0.08 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.20 2f77 h ASP 40 Cb 0.73 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 2f77 h ASP 40 CO 0.06 0.00 0.09 0.74 -1.72 0.00 0.00 179.24 178.40 2f77 h THR 41 N 0.00 0.76 0.00 0.35 2.02 -0.19 -2.96 112.91 112.90 2f77 h THR 41 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2f77 h THR 41 Cb 0.45 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2f77 h THR 41 CO 0.00 0.04 -0.02 0.00 0.37 0.00 0.00 175.52 175.91 2f77 h PRO 43 N -0.02 0.02 -1.37 0.00 0.11 -1.66 -3.32 132.00 125.76 2f77 h PRO 43 Ca 0.00 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2f77 h PRO 43 Cb 0.02 -0.00 -0.25 0.00 0.11 0.00 0.00 31.00 30.88 2f77 h PRO 43 CO 0.00 0.01 -0.45 -1.58 -0.21 0.00 0.00 178.00 175.77 2f77 s TRP 44 N -5.12 -1.41 0.13 0.65 0.51 -1.15 -4.99 118.94 107.55 2f77 s TRP 44 Ca -0.07 0.75 -0.11 0.00 -2.12 0.00 0.00 56.10 54.55 2f77 s TRP 44 Cb 0.29 0.10 -0.08 0.00 -0.81 0.00 0.00 33.47 32.96 2f77 s TRP 44 CO 0.85 -1.02 1.41 0.74 -0.51 0.00 0.00 176.95 178.42 2f77 h PHE 45 N 8.08 1.11 -0.41 -1.98 0.04 -1.62 -3.21 116.94 118.94 2f77 h PHE 45 Ca -0.06 -0.39 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 2f77 h PHE 45 Cb 1.15 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 2f77 h PHE 45 CO 0.25 1.23 0.22 -1.35 -0.60 0.00 0.00 178.31 178.06 2f77 h PRO 46 N 0.68 0.56 -6.43 1.51 0.11 -1.95 -3.42 132.00 123.06 2f77 h PRO 46 Ca 0.02 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.54 2f77 h PRO 46 Cb 1.15 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 32.16 2f77 h PRO 46 CO 0.12 0.42 0.98 -0.65 -0.21 0.00 0.00 178.00 178.66 2f77 s GLN 47 N -5.40 4.21 0.29 1.05 -0.21 -1.21 -4.98 119.66 113.41 2f77 s GLN 47 Ca -0.08 2.28 -0.01 0.00 0.02 0.00 0.00 55.36 57.56 2f77 s GLN 47 Cb 0.17 -3.62 -0.02 0.00 1.00 0.00 0.00 33.01 30.54 2f77 s GLN 47 CO 0.74 -0.72 0.33 -1.21 -2.12 0.00 0.00 175.29 172.31 2f77 s GLU 48 N 2.70 1.63 0.22 2.91 2.02 -1.26 -4.82 118.70 122.10 2f77 s GLU 48 Ca 0.73 -1.72 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 2f77 s GLU 48 Cb -0.38 0.37 0.04 0.00 0.10 0.00 0.00 34.13 34.26 2f77 s GLU 48 CO 0.31 -0.63 0.63 0.20 0.02 0.00 0.00 175.26 175.80 2f77 s GLY 49 N -3.22 -0.25 0.26 -1.39 0.00 -1.26 -5.09 107.32 96.38 2f77 s GLY 49 Ca 0.34 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 2f77 s GLY 49 CO 0.18 -0.06 1.26 -1.59 0.00 0.00 0.00 173.10 172.89 2f77 s THR 50 N -3.86 3.13 -0.02 0.90 2.01 -1.26 -5.02 115.64 111.52 2f77 s THR 50 Ca 0.08 1.03 0.06 0.00 0.31 0.00 0.00 61.69 63.17 2f77 s THR 50 Cb -0.03 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2f77 s THR 50 CO -0.02 0.21 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.28 2f77 s ILE 51 N -0.59 1.68 -0.09 1.82 -1.09 -1.26 -5.07 121.20 116.60 2f77 s ILE 51 Ca 0.51 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 2f77 s ILE 51 Cb -0.36 -1.40 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 2f77 s ILE 51 CO 0.44 0.48 0.37 -0.62 -1.23 0.00 0.00 174.94 174.37 2f77 s ASP 52 N -0.47 6.62 0.62 3.58 2.15 -1.26 -4.93 116.67 122.98 2f77 s ASP 52 Ca 0.07 0.74 0.26 0.00 0.43 0.00 0.00 52.55 54.05 2f77 s ASP 52 Cb -0.08 -2.23 1.25 0.00 -0.30 0.00 0.00 42.92 41.56 2f77 s ASP 52 CO -0.01 0.16 1.69 0.40 -0.17 0.00 0.00 175.17 177.24 2f77 h ILE 53 N 4.34 0.17 -0.45 4.11 1.08 -1.99 0.33 117.51 125.10 2f77 h ILE 53 Ca -0.45 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 63.96 2f77 h ILE 53 Cb 1.19 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 2f77 h ILE 53 CO 0.70 0.00 0.05 0.11 -0.69 0.00 0.00 178.15 178.32 2f77 h LYS 54 N 0.00 0.75 0.00 2.37 1.57 -2.01 -2.57 116.57 116.68 2f77 h LYS 54 Ca 0.21 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f77 h LYS 54 Cb 1.53 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2f77 h LYS 54 CO -0.00 0.79 0.00 0.74 -0.57 0.00 0.00 179.45 180.41 2f77 h PHE 55 N 0.61 0.00 -0.71 -1.35 0.04 -0.75 -3.27 116.94 111.51 2f77 h PHE 55 Ca 0.13 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.92 2f77 h PHE 55 Cb 0.41 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 2f77 h PHE 55 CO 0.03 0.00 0.46 2.35 -0.60 0.00 0.00 178.31 180.55 2f77 h TRP 56 N 0.00 0.87 -0.80 -0.55 7.01 -0.99 0.27 115.95 121.76 2f77 h TRP 56 Ca 0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.04 2f77 h TRP 56 Cb 0.81 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.54 2f77 h TRP 56 CO 0.00 0.52 0.53 0.00 -2.79 0.00 0.00 178.44 176.70 2f77 h ARG 57 N 0.92 1.04 -0.10 2.65 2.47 -1.61 0.75 114.38 120.50 2f77 h ARG 57 Ca 0.27 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.86 2f77 h ARG 57 Cb -0.05 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.04 2f77 h ARG 57 CO -0.08 0.69 -0.21 0.00 0.56 0.00 0.00 179.97 180.92 2f77 h ARG 58 N 1.07 0.32 -0.15 0.04 3.08 -1.54 -2.08 114.38 115.12 2f77 h ARG 58 Ca 0.30 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2f77 h ARG 58 Cb -0.10 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2f77 h ARG 58 CO -0.07 0.81 0.04 0.28 -1.07 0.00 0.00 179.97 179.96 2f77 h VAL 59 N -0.12 1.19 -0.44 2.04 2.07 -0.19 0.11 116.25 120.92 2f77 h VAL 59 Ca 0.00 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2f77 h VAL 59 Cb 0.80 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 2f77 h VAL 59 CO 0.05 0.18 0.16 1.23 0.02 0.00 0.00 177.57 179.21 2f77 h GLY 60 N 0.06 0.57 1.30 2.17 0.00 0.47 0.16 103.07 107.80 2f77 h GLY 60 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2f77 h GLY 60 CO -0.00 0.03 -0.07 -1.80 0.00 0.00 0.00 176.54 174.70 2f77 h ASP 61 N 0.33 0.82 0.51 0.19 3.58 -1.20 0.46 116.42 121.11 2f77 h ASP 61 Ca 0.20 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2f77 h ASP 61 Cb 0.19 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2f77 h ASP 61 CO -0.20 0.93 -0.24 0.00 -2.88 0.00 0.00 179.24 176.84 2f77 h PHE 63 N -0.88 0.66 -0.58 0.00 -1.00 -0.70 -1.89 116.94 112.54 2f77 h PHE 63 Ca -0.07 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 2f77 h PHE 63 Cb 0.60 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 2f77 h PHE 63 CO -0.00 0.47 0.22 0.37 -1.61 0.00 0.00 178.31 177.76 2f77 h GLN 64 N 0.65 0.85 -0.26 1.51 4.15 -0.86 -0.56 115.11 120.60 2f77 h GLN 64 Ca 0.17 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2f77 h GLN 64 Cb 0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2f77 h GLN 64 CO -0.03 0.71 0.14 -0.44 -1.93 0.00 0.00 178.83 177.27 2f77 h ASP 65 N 0.84 0.32 0.43 -0.69 3.32 0.33 -2.11 116.42 118.86 2f77 h ASP 65 Ca 0.20 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2f77 h ASP 65 Cb 0.18 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2f77 h ASP 65 CO -0.02 0.32 -0.39 1.88 -1.72 0.00 0.00 179.24 179.31 2f77 h TYR 66 N 0.30 0.00 0.45 4.55 0.05 -1.00 -1.44 116.97 119.88 2f77 h TYR 66 Ca 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2f77 h TYR 66 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2f77 h TYR 66 CO -0.03 0.39 -0.22 -0.92 -1.05 0.00 0.00 178.16 176.33 2f77 h TYR 67 N 0.00 -0.56 -0.26 4.88 3.20 -0.47 0.19 116.97 123.94 2f77 h TYR 67 Ca -0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2f77 h TYR 67 Cb 0.71 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2f77 h TYR 67 CO 0.00 -0.29 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.06 2f77 h ASN 68 N -0.73 0.51 0.10 -2.11 2.35 -1.36 1.20 115.58 115.54 2f77 h ASN 68 Ca -0.06 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2f77 h ASN 68 Cb 0.53 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2f77 h ASN 68 CO 0.10 0.77 -0.05 0.74 -1.65 0.00 0.00 177.43 177.34 2f77 h THR 69 N 0.45 1.08 0.00 2.81 2.02 -1.08 -3.40 112.91 114.79 2f77 h THR 69 Ca 0.06 -0.69 -0.20 0.00 0.77 0.00 0.00 66.41 66.36 2f77 h THR 69 Cb 0.69 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2f77 h THR 69 CO 0.05 0.17 -1.54 0.49 0.37 0.00 0.00 175.52 175.06 2f77 n PHE 70 N -5.00 0.00 0.00 3.16 3.72 0.64 -5.08 117.46 114.90 2f77 n PHE 70 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2f77 n PHE 70 Cb 0.20 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 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 2.11 0.98 0.20 1.37 0.00 0.41 -4.85 105.19 105.41 2f77 n GLY 71 Ca -0.25 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.02 2f77 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f77 h PRO 72 N 1.74 0.00 0.09 1.61 0.13 -1.80 -3.28 132.00 130.48 2f77 h PRO 72 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2f77 h PRO 72 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2f77 h PRO 72 CO 0.00 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 178.57 2f77 h GLU 73 N 0.00 -0.25 -0.66 0.86 5.08 -1.94 1.86 114.58 119.53 2f77 h GLU 73 Ca 0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2f77 h GLU 73 Cb 0.66 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2f77 h GLU 73 CO 0.00 -0.17 0.13 0.87 -1.00 0.00 0.00 179.01 178.84 2f77 h LYS 74 N -0.26 1.07 -2.08 2.33 1.79 -1.90 -3.37 116.57 114.14 2f77 h LYS 74 Ca 0.02 -0.27 -0.50 0.00 -2.18 0.00 0.00 60.65 57.72 2f77 h LYS 74 Cb 0.27 -0.13 -0.34 0.00 -1.58 0.00 0.00 32.23 30.45 2f77 h LYS 74 CO -0.06 0.96 -0.89 1.33 -1.08 0.00 0.00 179.45 179.71 2f77 n VAL 75 N -4.22 -0.98 -1.18 0.50 0.24 -0.90 -5.02 118.33 106.77 2f77 n VAL 75 Ca 0.05 -2.96 -0.35 0.00 -2.04 0.00 0.00 64.34 59.03 2f77 n VAL 75 Cb 0.27 -1.14 0.10 0.00 -1.47 0.00 0.00 33.84 31.61 2f77 n VAL 75 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2f77 n PRO 76 N 2.82 0.25 0.00 7.34 -0.02 0.63 -4.56 135.00 141.46 2f77 n PRO 76 Ca 0.27 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2f77 n PRO 76 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2f77 n PRO 76 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2f77 n VAL 77 N -2.84 0.81 0.02 -1.45 0.24 -1.26 -1.29 118.33 112.56 2f77 n VAL 77 Ca 0.11 0.29 0.03 0.00 -2.04 0.00 0.00 64.34 62.74 2f77 n VAL 77 Cb 0.50 -1.29 0.40 0.00 -1.47 0.00 0.00 33.84 31.98 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 1.13 -0.33 3.34 1.35 -1.95 -1.73 112.91 114.71 2f77 h THR 78 Ca 0.00 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.39 2f77 h THR 78 Cb 0.18 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2f77 h THR 78 CO 0.00 0.14 -0.29 0.00 -0.25 0.00 0.00 175.52 175.13 2f77 h ALA 79 N 1.69 0.88 -0.58 6.62 0.00 -1.51 -2.61 119.26 123.75 2f77 h ALA 79 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2f77 h ALA 79 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2f77 h ALA 79 CO -0.02 0.63 0.30 0.74 0.00 0.00 0.00 179.25 180.90 2f77 h PHE 80 N 0.59 0.81 -0.08 0.00 -1.00 -1.51 0.26 116.94 116.02 2f77 h PHE 80 Ca 0.07 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 2f77 h PHE 80 Cb 0.79 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 2f77 h PHE 80 CO 0.04 0.61 0.04 1.03 -1.61 0.00 0.00 178.31 178.41 2f77 h SER 81 N 0.78 0.10 -0.56 2.17 0.87 -1.33 0.41 113.55 115.98 2f77 h SER 81 Ca 0.20 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2f77 h SER 81 Cb 0.08 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2f77 h SER 81 CO -0.03 0.17 0.12 1.88 -0.53 0.00 0.00 176.83 178.43 2f77 h TYR 82 N 0.03 0.97 -0.26 2.24 0.05 -1.25 -2.59 116.97 116.15 2f77 h TYR 82 Ca 0.03 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.59 2f77 h TYR 82 Cb 0.09 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 2f77 h TYR 82 CO -0.04 0.84 -0.23 2.35 -1.05 0.00 0.00 178.16 180.03 2f77 h TRP 83 N 0.81 0.55 -0.71 4.88 2.91 -0.25 -2.44 115.95 121.70 2f77 h TRP 83 Ca 0.17 -0.11 0.04 0.00 1.13 0.00 0.00 58.89 60.13 2f77 h TRP 83 Cb 0.38 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.84 2f77 h TRP 83 CO 0.03 0.69 0.43 -0.91 -1.03 0.00 0.00 178.44 177.65 2f77 h ASN 84 N 0.44 0.69 -0.37 2.65 2.35 0.19 0.21 115.58 121.74 2f77 h ASN 84 Ca 0.07 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2f77 h ASN 84 Cb 0.65 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2f77 h ASN 84 CO 0.05 0.46 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.04 2f77 h LEU 85 N 0.82 0.85 -0.40 1.61 3.38 -1.26 -2.69 115.31 117.62 2f77 h LEU 85 Ca 0.30 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2f77 h LEU 85 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2f77 h LEU 85 CO -0.14 1.02 0.06 0.40 0.09 0.00 0.00 178.44 179.87 2f77 h ILE 86 N 0.74 1.24 -0.68 1.22 1.08 -0.80 0.02 117.51 120.34 2f77 h ILE 86 Ca 0.11 -0.88 0.05 0.00 -0.39 0.00 0.00 64.86 63.75 2f77 h ILE 86 Cb 0.70 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 2f77 h ILE 86 CO 0.05 0.30 0.39 0.50 -0.69 0.00 0.00 178.15 178.71 2f77 h LYS 87 N 0.52 0.72 -0.21 2.37 3.64 -0.51 0.84 116.57 123.93 2f77 h LYS 87 Ca 0.12 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 2f77 h LYS 87 Cb 0.38 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2f77 h LYS 87 CO 0.01 0.48 -0.52 0.93 -2.27 0.00 0.00 179.45 178.08 2f77 h GLU 88 N 0.74 0.59 0.05 1.90 5.08 -1.28 0.76 114.58 122.43 2f77 h GLU 88 Ca 0.29 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2f77 h GLU 88 Cb 0.13 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2f77 h GLU 88 CO -0.16 0.97 -0.03 1.25 -1.00 0.00 0.00 179.01 180.05 2f77 h LEU 89 N 0.46 -0.06 -0.27 1.33 5.85 -0.06 0.17 115.31 122.73 2f77 h LEU 89 Ca 0.02 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.39 2f77 h LEU 89 Cb 1.06 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2f77 h LEU 89 CO 0.10 0.18 -0.35 0.16 -0.34 0.00 0.00 178.44 178.18 2f77 h ILE 90 N -0.30 1.30 -0.23 4.05 3.07 -0.88 -0.84 117.51 123.68 2f77 h ILE 90 Ca -0.01 -1.54 -0.00 0.00 1.55 0.00 0.00 64.86 64.86 2f77 h ILE 90 Cb 0.27 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.47 2f77 h ILE 90 CO 0.01 0.49 0.13 0.44 -1.05 0.00 0.00 178.15 178.17 2f77 h ASP 91 N 0.45 0.29 -0.58 2.16 3.32 -0.80 -2.61 116.42 118.63 2f77 h ASP 91 Ca 0.03 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 2f77 h ASP 91 Cb 0.94 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 2f77 h ASP 91 CO 0.08 0.29 0.08 0.11 -1.72 0.00 0.00 179.24 178.08 2f77 h LYS 92 N 0.27 1.00 -6.71 3.56 1.57 -0.65 -3.42 116.57 112.19 2f77 h LYS 92 Ca 0.08 -0.26 -0.52 0.00 -1.87 0.00 0.00 60.65 58.08 2f77 h LYS 92 Cb 0.06 -0.12 0.03 0.00 0.08 0.00 0.00 32.23 32.29 2f77 h LYS 92 CO -0.01 0.93 0.63 0.21 -0.57 0.00 0.00 179.45 180.64 2f77 s LYS 93 N -5.15 4.41 -0.39 3.15 2.20 -0.32 -4.97 119.74 118.68 2f77 s LYS 93 Ca -0.11 2.04 -0.22 0.00 -0.36 0.00 0.00 55.97 57.31 2f77 s LYS 93 Cb 0.15 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 2f77 s LYS 93 CO 0.84 -0.19 0.74 -1.21 -0.36 0.00 0.00 175.35 175.16 2f77 s GLU 94 N -0.46 3.63 0.08 4.03 2.02 -1.26 -4.86 118.70 121.87 2f77 s GLU 94 Ca 0.54 0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.67 2f77 s GLU 94 Cb -0.36 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 2f77 s GLU 94 CO 0.40 -0.89 -0.08 0.54 0.02 0.00 0.00 175.26 175.25 2f77 s VAL 95 N 3.03 0.74 -0.53 2.63 0.11 -1.26 -5.11 120.40 120.01 2f77 s VAL 95 Ca 0.29 -1.52 0.04 0.00 -2.93 0.00 0.00 61.98 57.85 2f77 s VAL 95 Cb -0.13 -1.19 0.15 0.00 -1.53 0.00 0.00 36.38 33.68 2f77 s VAL 95 CO 0.18 -0.58 0.33 0.21 -3.33 0.00 0.00 175.10 171.91 2f77 s ASN 96 N -2.30 3.83 0.00 3.54 3.84 -1.26 -5.03 114.94 117.56 2f77 s ASN 96 Ca 0.02 -3.14 0.00 0.00 0.21 0.00 0.00 52.86 49.95 2f77 s ASN 96 Cb -0.03 -1.25 0.00 0.00 -0.55 0.00 0.00 41.25 39.42 2f77 s ASN 96 CO -0.01 -0.19 0.00 -2.65 -2.79 0.00 0.00 177.10 171.46 2f77 n PRO 97 N 2.88 1.86 -0.30 0.43 -0.02 -1.26 -4.84 135.00 133.76 2f77 n PRO 97 Ca 0.14 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.57 2f77 n PRO 97 Cb 0.36 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.91 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 1.20 -4.87 -0.52 4.20 -2.00 -3.41 115.11 109.71 2f77 h GLN 98 Ca 0.00 -0.20 -0.56 0.00 0.06 0.00 0.00 58.65 57.95 2f77 h GLN 98 Cb 0.00 -0.20 -0.33 0.00 0.30 0.00 0.00 27.48 27.25 2f77 h GLN 98 CO 0.00 0.95 -0.83 0.08 -0.67 0.00 0.00 178.83 178.36 2f77 s VAL 99 N -5.62 1.39 -2.16 -0.54 1.01 -1.26 -5.29 120.40 107.93 2f77 s VAL 99 Ca -0.12 -0.64 0.31 0.00 0.00 0.00 0.00 61.98 61.52 2f77 s VAL 99 Cb 0.16 -1.23 0.79 0.00 0.00 0.00 0.00 36.38 36.10 2f77 s VAL 99 CO 0.84 0.41 2.07 0.80 0.00 0.00 0.00 175.10 179.22