#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 0.66 3.30 3.03 0.00 -1.26 -4.96 105.19 105.96 2f77 n GLY 2 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.98 1.23 0.22 1.61 -0.21 -1.26 -5.10 119.66 114.16 2f77 s GLN 3 Ca 0.00 -1.57 -0.31 0.00 0.02 0.00 0.00 55.36 53.50 2f77 s GLN 3 Cb 0.00 -0.75 -0.11 0.00 1.00 0.00 0.00 33.01 33.15 2f77 s GLN 3 CO 0.00 0.04 1.66 -1.21 -2.12 0.00 0.00 175.29 173.66 2f77 s GLU 4 N -3.76 4.15 -0.98 2.91 2.02 -1.26 -4.90 118.70 116.88 2f77 s GLU 4 Ca 0.22 2.54 -0.21 0.00 0.02 0.00 0.00 54.97 57.55 2f77 s GLU 4 Cb 0.03 -3.08 0.09 0.00 0.10 0.00 0.00 34.13 31.27 2f77 s GLU 4 CO 0.05 -0.69 1.29 -0.51 0.02 0.00 0.00 175.26 175.42 2f77 s LEU 5 N 0.77 4.32 0.85 1.80 1.43 -1.26 -4.88 118.68 121.71 2f77 s LEU 5 Ca 0.71 -1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 2f77 s LEU 5 Cb -0.48 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.40 2f77 s LEU 5 CO 0.35 -1.26 1.19 -0.94 0.23 0.00 0.00 176.35 175.92 2f77 s SER 6 N 4.25 3.88 0.28 2.29 1.04 -1.26 -4.64 113.70 119.54 2f77 s SER 6 Ca 0.39 0.30 0.01 0.00 0.48 0.00 0.00 55.95 57.13 2f77 s SER 6 Cb -0.02 -0.59 0.58 0.00 0.10 0.00 0.00 66.02 66.08 2f77 s SER 6 CO -0.09 -2.23 1.80 -0.61 0.98 0.00 0.00 173.24 173.08 2f77 h GLN 7 N -1.17 0.78 -0.27 4.02 5.75 -1.98 0.45 115.11 122.69 2f77 h GLN 7 Ca -0.43 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 57.92 2f77 h GLN 7 Cb 1.27 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 2f77 h GLN 7 CO 0.48 0.52 -0.21 0.45 -2.65 0.00 0.00 178.83 177.42 2f77 h HIS 8 N 0.81 0.72 -0.64 3.99 -0.00 -1.99 -1.68 115.15 116.36 2f77 h HIS 8 Ca 0.50 -0.20 -0.07 0.00 -0.00 0.00 0.00 60.37 60.59 2f77 h HIS 8 Cb 0.62 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.85 2f77 h HIS 8 CO -0.04 0.90 0.11 0.93 -0.00 0.00 0.00 177.93 179.83 2f77 h GLU 9 N 0.34 1.05 -0.43 2.45 4.39 -1.51 -2.53 114.58 118.34 2f77 h GLU 9 Ca 0.05 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.39 2f77 h GLU 9 Cb 0.75 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2f77 h GLU 9 CO 0.05 0.96 -0.07 0.00 -1.16 0.00 0.00 179.01 178.79 2f77 h ARG 10 N 0.99 0.75 -0.03 2.33 3.08 -0.10 -0.49 114.38 120.91 2f77 h ARG 10 Ca 0.20 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2f77 h ARG 10 Cb 0.42 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2f77 h ARG 10 CO 0.01 0.81 0.02 -0.92 -1.07 0.00 0.00 179.97 178.82 2f77 h TYR 11 N 0.69 0.03 -0.18 3.04 3.20 -0.89 0.45 116.97 123.31 2f77 h TYR 11 Ca 0.12 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 2f77 h TYR 11 Cb 0.53 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2f77 h TYR 11 CO 0.03 0.07 -0.40 -0.39 -1.64 0.00 0.00 178.16 175.83 2f77 h VAL 12 N -0.02 1.31 -0.36 1.81 -1.51 -1.38 -2.66 116.25 113.44 2f77 h VAL 12 Ca 0.01 -1.55 -0.07 0.00 -1.23 0.00 0.00 66.70 63.86 2f77 h VAL 12 Cb 0.05 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 2f77 h VAL 12 CO -0.00 0.48 -0.09 -0.08 -1.23 0.00 0.00 177.57 176.64 2f77 h GLU 13 N 0.34 0.60 -0.45 5.19 4.81 -0.73 -2.22 114.58 122.13 2f77 h GLU 13 Ca 0.03 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 2f77 h GLU 13 Cb 0.86 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2f77 h GLU 13 CO 0.07 0.69 -0.24 0.37 -0.73 0.00 0.00 179.01 179.18 2f77 h GLN 14 N 0.56 0.92 -0.81 1.92 5.75 -0.63 -2.56 115.11 120.26 2f77 h GLN 14 Ca 0.10 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 2f77 h GLN 14 Cb 0.49 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 2f77 h GLN 14 CO 0.03 1.06 0.45 1.25 -2.65 0.00 0.00 178.83 178.96 2f77 h LEU 15 N 0.79 1.00 -0.88 -2.39 5.85 -1.13 -2.17 115.31 116.38 2f77 h LEU 15 Ca 0.10 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2f77 h LEU 15 Cb 0.80 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2f77 h LEU 15 CO 0.07 0.80 0.51 0.50 -0.34 0.00 0.00 178.44 179.97 2f77 h LYS 16 N 1.12 1.22 -0.62 1.25 3.64 -1.18 -2.12 116.57 119.87 2f77 h LYS 16 Ca 0.28 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2f77 h LYS 16 Cb 0.01 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 31.53 2f77 h LYS 16 CO -0.05 0.87 0.32 1.96 -2.27 0.00 0.00 179.45 180.28 2f77 h GLN 17 N 1.22 0.57 -0.59 1.90 4.20 -0.99 -0.05 115.11 121.37 2f77 h GLN 17 Ca 0.31 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 2f77 h GLN 17 Cb -0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2f77 h GLN 17 CO -0.05 0.38 0.26 0.00 -0.67 0.00 0.00 178.83 178.74 2f77 h ALA 18 N 1.35 1.35 -0.70 3.87 0.00 -1.14 -1.83 119.26 122.16 2f77 h ALA 18 Ca 0.29 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2f77 h ALA 18 Cb 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2f77 h ALA 18 CO -0.20 0.50 0.26 -0.07 0.00 0.00 0.00 179.25 179.73 2f77 h LEU 19 N 0.83 0.97 -0.88 0.00 3.38 -0.44 -2.28 115.31 116.90 2f77 h LEU 19 Ca 0.20 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2f77 h LEU 19 Cb 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2f77 h LEU 19 CO -0.02 0.88 0.57 0.11 0.09 0.00 0.00 178.44 180.06 2f77 h LYS 20 N 1.02 1.06 -0.91 1.13 1.57 -0.34 -0.78 116.57 119.32 2f77 h LYS 20 Ca 0.23 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2f77 h LYS 20 Cb 0.23 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2f77 h LYS 20 CO -0.02 0.70 0.60 1.15 -0.57 0.00 0.00 179.45 181.31 2f77 h THR 21 N 1.09 1.24 0.00 -0.16 2.02 -1.18 0.56 112.91 116.48 2f77 h THR 21 Ca 0.35 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2f77 h THR 21 Cb 0.02 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 2f77 h THR 21 CO -0.12 0.23 0.00 0.03 0.37 0.00 0.00 175.52 176.03 2f77 h ARG 22 N 1.24 0.00 0.00 6.66 3.08 -0.88 -3.46 114.38 121.03 2f77 h ARG 22 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2f77 h ARG 22 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2f77 h ARG 22 CO -0.07 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.24 2f77 n GLY 23 N -0.06 0.68 3.20 0.04 0.00 0.19 -5.11 105.19 104.13 2f77 n GLY 23 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.88 1.84 -0.34 1.61 1.01 -0.88 -4.97 120.40 117.79 2f77 s VAL 24 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2f77 s VAL 24 Cb 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.92 2f77 s VAL 24 CO 0.00 0.51 0.15 -0.54 0.00 0.00 0.00 175.10 175.22 2f77 s LYS 25 N 0.09 0.70 0.18 2.72 1.02 -1.26 -4.22 119.74 118.97 2f77 s LYS 25 Ca -0.09 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 54.74 2f77 s LYS 25 Cb -0.15 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 2f77 s LYS 25 CO 0.05 -1.06 -0.02 0.14 -0.92 0.00 0.00 175.35 173.54 2f77 s VAL 26 N 1.38 0.85 0.45 3.17 -7.23 -1.26 -4.94 120.40 112.83 2f77 s VAL 26 Ca 0.12 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 2f77 s VAL 26 Cb -0.19 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 2f77 s VAL 26 CO -0.18 -0.48 1.08 -0.54 -0.31 0.00 0.00 175.10 174.66 2f77 s LYS 27 N -3.87 3.88 0.21 4.82 1.02 -1.26 -4.94 119.74 119.60 2f77 s LYS 27 Ca 0.24 1.53 -0.08 0.00 0.02 0.00 0.00 55.97 57.68 2f77 s LYS 27 Cb 0.05 -2.31 0.14 0.00 -0.52 0.00 0.00 37.83 35.19 2f77 s LYS 27 CO 0.05 -0.39 1.75 1.88 -0.92 0.00 0.00 175.35 177.71 2f77 h TYR 28 N 1.97 1.21 -0.48 3.18 0.05 -2.00 -2.06 116.97 118.84 2f77 h TYR 28 Ca -0.49 -0.12 0.10 0.00 0.05 0.00 0.00 58.73 58.28 2f77 h TYR 28 Cb 1.23 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 2f77 h TYR 28 CO 0.56 0.95 0.33 0.00 -1.05 0.00 0.00 178.16 178.95 2f77 h ALA 29 N 1.14 2.20 -0.79 3.88 0.00 -1.93 -0.28 119.26 123.49 2f77 h ALA 29 Ca 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2f77 h ALA 29 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2f77 h ALA 29 CO -0.01 -0.32 0.52 0.22 0.00 0.00 0.00 179.25 179.66 2f77 h ASP 30 N 0.19 0.90 -0.61 0.00 1.82 -1.74 0.75 116.42 117.73 2f77 h ASP 30 Ca 0.23 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.82 2f77 h ASP 30 Cb 0.64 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 2f77 h ASP 30 CO -0.04 0.65 0.31 -0.07 -1.61 0.00 0.00 179.24 178.48 2f77 h LEU 31 N 1.07 0.78 -0.65 2.28 -0.00 -1.10 0.64 115.31 118.34 2f77 h LEU 31 Ca 0.29 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.88 58.00 2f77 h LEU 31 Cb -0.12 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.31 2f77 h LEU 31 CO -0.06 0.68 0.18 -0.07 -0.00 0.00 0.00 178.44 179.17 2f77 h LEU 32 N 0.83 0.96 -1.09 1.67 3.38 -1.17 -2.35 115.31 117.53 2f77 h LEU 32 Ca 0.21 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2f77 h LEU 32 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2f77 h LEU 32 CO -0.03 0.92 -0.09 0.11 0.09 0.00 0.00 178.44 179.44 2f77 h LYS 33 N 0.94 0.53 -0.12 1.13 1.57 -0.36 -2.35 116.57 117.92 2f77 h LYS 33 Ca 0.21 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2f77 h LYS 33 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2f77 h LYS 33 CO -0.00 0.63 0.08 0.35 -0.57 0.00 0.00 179.45 179.93 2f77 h PHE 34 N 0.50 0.14 -0.41 -1.35 3.57 -0.36 0.37 116.94 119.41 2f77 h PHE 34 Ca 0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2f77 h PHE 34 Cb 0.46 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2f77 h PHE 34 CO 0.02 0.09 0.20 0.74 -2.23 0.00 0.00 178.31 177.13 2f77 h PHE 35 N 0.16 0.58 -0.59 0.41 0.04 -1.30 -1.39 116.94 114.84 2f77 h PHE 35 Ca 0.04 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2f77 h PHE 35 Cb -0.02 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2f77 h PHE 35 CO -0.07 0.47 0.13 -0.44 -0.60 0.00 0.00 178.31 177.80 2f77 h ASP 36 N 0.52 0.86 -0.38 2.17 3.32 -1.12 -1.87 116.42 119.92 2f77 h ASP 36 Ca 0.14 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2f77 h ASP 36 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2f77 h ASP 36 CO -0.02 0.85 0.19 0.15 -1.72 0.00 0.00 179.24 178.69 2f77 h PHE 37 N 0.88 0.54 -0.14 4.55 3.57 0.20 0.37 116.94 126.90 2f77 h PHE 37 Ca 0.19 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2f77 h PHE 37 Cb 0.33 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2f77 h PHE 37 CO 0.02 0.44 0.07 0.28 -2.23 0.00 0.00 178.31 176.90 2f77 h VAL 38 N 0.48 1.11 -0.16 1.41 2.07 -0.93 -1.68 116.25 118.55 2f77 h VAL 38 Ca 0.13 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2f77 h VAL 38 Cb 0.10 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2f77 h VAL 38 CO -0.02 0.10 -0.24 0.11 0.02 0.00 0.00 177.57 177.54 2f77 h LYS 39 N 0.12 0.29 0.00 1.57 1.57 -1.18 -1.90 116.57 117.04 2f77 h LYS 39 Ca 0.05 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f77 h LYS 39 Cb 0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2f77 h LYS 39 CO -0.01 0.52 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.94 2f77 h ASP 40 N 0.26 0.00 0.33 0.86 3.32 0.21 -2.74 116.42 118.66 2f77 h ASP 40 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2f77 h ASP 40 Cb 0.58 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2f77 h ASP 40 CO 0.04 0.02 -0.40 0.74 -1.72 0.00 0.00 179.24 177.92 2f77 h THR 41 N 0.00 0.19 0.00 0.35 2.02 -0.46 -3.27 112.91 111.74 2f77 h THR 41 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2f77 h THR 41 Cb 0.43 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2f77 h THR 41 CO 0.00 0.00 -0.56 0.00 0.37 0.00 0.00 175.52 175.33 2f77 h PRO 43 N -0.51 0.11 0.00 0.00 0.11 -1.72 -3.43 132.00 126.57 2f77 h PRO 43 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2f77 h PRO 43 Cb 0.54 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2f77 h PRO 43 CO -0.01 0.07 0.00 0.91 -0.21 0.00 0.00 178.00 178.77 2f77 n TRP 44 N -5.26 0.00 -2.66 0.65 8.01 -1.16 -5.02 117.44 112.00 2f77 n TRP 44 Ca 0.30 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.45 2f77 n TRP 44 Cb 0.99 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.32 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 -1.00 -0.23 -5.99 7.35 -1.23 -4.28 117.46 112.07 2f77 n PHE 45 Ca 0.00 -1.06 0.00 0.00 -0.76 0.00 0.00 57.45 55.63 2f77 n PHE 45 Cb 0.00 1.29 0.00 0.00 0.35 0.00 0.00 39.48 41.12 2f77 n PHE 45 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2f77 n PRO 46 N -0.55 -0.46 -2.81 -7.13 -0.04 -1.26 -4.97 135.00 117.78 2f77 n PRO 46 Ca -0.19 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.87 2f77 n PRO 46 Cb 0.70 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.10 2f77 n PRO 46 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2f77 s GLN 47 N -1.93 4.75 0.17 0.54 -0.21 -1.26 -5.01 119.66 116.71 2f77 s GLN 47 Ca 0.00 1.38 -0.30 0.00 0.02 0.00 0.00 55.36 56.46 2f77 s GLN 47 Cb 0.00 -3.21 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 2f77 s GLN 47 CO 0.00 0.50 1.14 -1.21 -2.12 0.00 0.00 175.29 173.61 2f77 s GLU 48 N -1.29 4.54 0.66 2.91 2.02 -1.26 -5.04 118.70 121.24 2f77 s GLU 48 Ca 0.41 1.78 -0.02 0.00 0.02 0.00 0.00 54.97 57.16 2f77 s GLU 48 Cb -0.24 -3.27 0.13 0.00 0.10 0.00 0.00 34.13 30.85 2f77 s GLU 48 CO 0.29 -0.02 0.90 0.41 0.02 0.00 0.00 175.26 176.87 2f77 n GLY 49 N 2.20 0.42 3.77 -1.39 0.00 -1.26 -5.04 105.19 103.89 2f77 n GLY 49 Ca 0.04 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.75 3.19 -0.05 2.61 2.01 -1.26 -5.03 115.64 114.36 2f77 s THR 50 Ca 0.58 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.73 2f77 s THR 50 Cb -0.03 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2f77 s THR 50 CO 0.39 0.20 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.87 2f77 s ILE 51 N -1.27 1.24 0.23 1.82 -1.16 -1.26 -4.95 121.20 115.86 2f77 s ILE 51 Ca 0.51 -0.59 -0.30 0.00 -0.51 0.00 0.00 60.65 59.76 2f77 s ILE 51 Cb -0.33 -1.09 -0.09 0.00 0.61 0.00 0.00 42.46 41.56 2f77 s ILE 51 CO 0.42 0.37 1.20 -0.62 -2.81 0.00 0.00 174.94 173.51 2f77 s ASP 52 N 0.27 7.06 0.57 4.50 -1.08 -1.26 -4.89 116.67 121.83 2f77 s ASP 52 Ca -0.08 2.34 0.35 0.00 -0.52 0.00 0.00 52.55 54.64 2f77 s ASP 52 Cb -0.12 -2.62 1.63 0.00 -1.46 0.00 0.00 42.92 40.35 2f77 s ASP 52 CO 0.03 -0.36 2.09 0.40 0.52 0.00 0.00 175.17 177.85 2f77 h ILE 53 N 3.47 0.16 -0.69 4.11 2.04 -2.00 -2.49 117.51 122.11 2f77 h ILE 53 Ca -0.46 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 2f77 h ILE 53 Cb 1.21 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 2f77 h ILE 53 CO 0.72 0.04 0.13 0.11 0.00 0.00 0.00 178.15 179.15 2f77 h LYS 54 N 0.00 1.13 -0.00 2.37 1.79 -1.92 -2.40 116.57 117.54 2f77 h LYS 54 Ca -0.00 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2f77 h LYS 54 Cb 0.36 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2f77 h LYS 54 CO 0.01 1.02 -0.21 0.34 -1.08 0.00 0.00 179.45 179.52 2f77 n PHE 55 N -4.22 0.00 -0.36 -1.35 7.35 -0.96 -3.86 117.46 114.06 2f77 n PHE 55 Ca 0.05 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.83 2f77 n PHE 55 Cb 0.28 -0.38 0.27 0.00 0.35 0.00 0.00 39.48 40.00 2f77 n PHE 55 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 2f77 h TRP 56 N 0.04 1.12 -0.63 -5.13 7.01 -1.18 0.74 115.95 117.92 2f77 h TRP 56 Ca 0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 2f77 h TRP 56 Cb 0.49 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 2f77 h TRP 56 CO 0.00 0.39 0.28 0.00 -2.79 0.00 0.00 178.44 176.32 2f77 h ARG 57 N 0.92 0.90 -0.34 2.65 2.47 -1.71 -1.56 114.38 117.70 2f77 h ARG 57 Ca 0.52 -0.13 -0.10 0.00 -1.26 0.00 0.00 59.98 59.02 2f77 h ARG 57 Cb 0.61 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2f77 h ARG 57 CO -0.29 0.71 -0.16 0.00 0.56 0.00 0.00 179.97 180.79 2f77 h ARG 58 N 0.89 0.71 -0.45 0.04 2.47 -1.12 -1.55 114.38 115.37 2f77 h ARG 58 Ca 0.22 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2f77 h ARG 58 Cb 0.13 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 2f77 h ARG 58 CO -0.02 0.91 0.25 0.28 0.56 0.00 0.00 179.97 181.95 2f77 h VAL 59 N 0.49 1.16 -0.46 2.04 2.07 -0.92 0.23 116.25 120.86 2f77 h VAL 59 Ca 0.08 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2f77 h VAL 59 Cb 0.70 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2f77 h VAL 59 CO 0.05 0.16 0.21 1.23 0.02 0.00 0.00 177.57 179.24 2f77 h GLY 60 N 0.59 0.72 1.00 2.17 0.00 -1.22 0.24 103.07 106.57 2f77 h GLY 60 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 2f77 h GLY 60 CO -0.03 0.35 0.04 -0.55 0.00 0.00 0.00 176.54 176.35 2f77 h ASP 61 N 0.60 0.84 0.04 0.19 3.32 -0.94 0.16 116.42 120.63 2f77 h ASP 61 Ca 0.16 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2f77 h ASP 61 Cb 0.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2f77 h ASP 61 CO -0.02 0.91 -0.02 0.00 -1.72 0.00 0.00 179.24 178.39 2f77 h PHE 63 N -0.41 0.66 -0.57 0.00 -1.00 -0.50 -1.91 116.94 113.22 2f77 h PHE 63 Ca -0.01 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.77 2f77 h PHE 63 Cb 0.37 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 2f77 h PHE 63 CO 0.04 0.48 0.38 0.37 -1.61 0.00 0.00 178.31 177.97 2f77 h GLN 64 N 0.64 0.74 -0.27 1.51 4.15 -0.64 -1.01 115.11 120.23 2f77 h GLN 64 Ca 0.17 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2f77 h GLN 64 Cb 0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 2f77 h GLN 64 CO -0.03 0.49 0.06 -0.44 -1.93 0.00 0.00 178.83 176.98 2f77 h ASP 65 N 0.76 0.42 -0.32 -0.69 3.32 -0.43 -2.40 116.42 117.08 2f77 h ASP 65 Ca 0.21 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2f77 h ASP 65 Cb -0.08 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2f77 h ASP 65 CO -0.05 0.55 0.00 1.88 -1.72 0.00 0.00 179.24 179.90 2f77 h TYR 66 N 0.27 0.70 0.29 4.55 0.05 -0.85 -0.94 116.97 121.05 2f77 h TYR 66 Ca 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2f77 h TYR 66 Cb 0.29 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2f77 h TYR 66 CO 0.01 0.67 -0.17 -0.92 -1.05 0.00 0.00 178.16 176.70 2f77 h TYR 67 N 0.63 -0.44 -0.43 4.88 3.20 -0.89 0.24 116.97 124.17 2f77 h TYR 67 Ca 0.13 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2f77 h TYR 67 Cb 0.39 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2f77 h TYR 67 CO 0.02 -0.26 0.02 -0.97 -1.64 0.00 0.00 178.16 175.32 2f77 h ASN 68 N -0.44 0.65 -0.32 -2.11 -0.73 -1.30 1.83 115.58 113.16 2f77 h ASN 68 Ca -0.03 -0.14 -0.04 0.00 1.87 0.00 0.00 56.30 57.96 2f77 h ASN 68 Cb 0.35 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2f77 h ASN 68 CO 0.04 0.71 0.06 0.74 -0.37 0.00 0.00 177.43 178.61 2f77 h THR 69 N 0.65 1.23 0.00 -3.57 2.02 -0.67 -3.41 112.91 109.16 2f77 h THR 69 Ca 0.13 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2f77 h THR 69 Cb 0.38 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2f77 h THR 69 CO 0.01 0.26 -0.80 0.49 0.37 0.00 0.00 175.52 175.86 2f77 n PHE 70 N -4.62 -0.01 0.00 3.16 3.72 0.79 -5.08 117.46 115.42 2f77 n PHE 70 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f77 n PHE 70 Cb 0.21 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 3.07 0.95 0.29 1.37 0.00 0.62 -4.84 105.19 106.66 2f77 n GLY 71 Ca 0.00 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 3.27 0.00 0.14 1.61 0.11 -1.78 -3.16 132.00 132.19 2f77 h PRO 72 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2f77 h PRO 72 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2f77 h PRO 72 CO 0.00 0.02 -0.22 0.93 -0.21 0.00 0.00 178.00 178.52 2f77 h GLU 73 N 0.00 -0.41 -0.48 1.05 5.08 -1.94 1.94 114.58 119.81 2f77 h GLU 73 Ca -0.00 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2f77 h GLU 73 Cb 0.34 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2f77 h GLU 73 CO 0.00 -0.27 -0.01 0.87 -1.00 0.00 0.00 179.01 178.59 2f77 h LYS 74 N -0.43 0.81 -2.14 2.33 1.79 -1.89 -3.37 116.57 113.68 2f77 h LYS 74 Ca 0.02 -0.23 -0.51 0.00 -2.18 0.00 0.00 60.65 57.75 2f77 h LYS 74 Cb 0.44 -0.09 -0.34 0.00 -1.58 0.00 0.00 32.23 30.66 2f77 h LYS 74 CO -0.11 0.83 -0.88 0.14 -1.08 0.00 0.00 179.45 178.35 2f77 s VAL 75 N -4.96 0.07 0.79 0.50 -7.23 -0.82 -4.94 120.40 103.81 2f77 s VAL 75 Ca -0.10 -2.24 -0.14 0.00 -1.81 0.00 0.00 61.98 57.70 2f77 s VAL 75 Cb 0.14 -1.01 0.06 0.00 0.56 0.00 0.00 36.38 36.13 2f77 s VAL 75 CO 0.82 -0.99 1.14 -2.65 -0.31 0.00 0.00 175.10 173.10 2f77 n PRO 76 N 3.01 0.29 0.02 4.82 -0.02 0.65 -4.46 135.00 139.32 2f77 n PRO 76 Ca 0.26 0.17 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2f77 n PRO 76 Cb 0.48 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 2f77 n PRO 76 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2f77 n VAL 77 N -3.07 1.11 0.05 -1.45 0.31 -1.26 -0.73 118.33 113.29 2f77 n VAL 77 Ca 0.13 0.53 0.03 0.00 -0.01 0.00 0.00 64.34 65.02 2f77 n VAL 77 Cb 0.50 -1.53 0.39 0.00 -0.91 0.00 0.00 33.84 32.29 2f77 n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2f77 h THR 78 N 0.00 1.14 -0.52 2.52 1.03 -1.95 -2.37 112.91 112.77 2f77 h THR 78 Ca 0.00 -0.51 0.02 0.00 -0.01 0.00 0.00 66.41 65.91 2f77 h THR 78 Cb 0.43 0.84 -0.03 0.00 -1.07 0.00 0.00 68.15 68.32 2f77 h THR 78 CO 0.00 0.18 0.32 0.00 -0.01 0.00 0.00 175.52 176.01 2f77 h ALA 79 N 1.66 0.67 -0.52 0.00 0.00 -1.24 0.72 119.26 120.54 2f77 h ALA 79 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2f77 h ALA 79 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2f77 h ALA 79 CO -0.00 0.04 0.20 0.74 0.00 0.00 0.00 179.25 180.23 2f77 h PHE 80 N 0.64 0.80 -0.38 0.00 -1.00 -1.63 0.31 116.94 115.69 2f77 h PHE 80 Ca 0.21 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 2f77 h PHE 80 Cb 0.00 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 2f77 h PHE 80 CO -0.06 0.67 0.20 1.03 -1.61 0.00 0.00 178.31 178.54 2f77 h SER 81 N 0.71 0.49 -0.47 2.17 0.87 -1.08 -0.81 113.55 115.43 2f77 h SER 81 Ca 0.17 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2f77 h SER 81 Cb 0.21 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2f77 h SER 81 CO -0.01 0.45 0.08 1.88 -0.53 0.00 0.00 176.83 178.70 2f77 h TYR 82 N 0.48 0.87 -0.40 2.24 0.05 -0.65 -2.20 116.97 117.37 2f77 h TYR 82 Ca 0.13 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2f77 h TYR 82 Cb 0.08 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2f77 h TYR 82 CO -0.02 0.76 -0.01 2.35 -1.05 0.00 0.00 178.16 180.20 2f77 h TRP 83 N 0.80 0.67 -0.65 4.88 2.91 -0.43 -2.28 115.95 121.85 2f77 h TRP 83 Ca 0.17 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2f77 h TRP 83 Cb 0.37 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 2f77 h TRP 83 CO 0.02 0.64 0.42 -0.91 -1.03 0.00 0.00 178.44 177.59 2f77 h ASN 84 N 0.60 0.75 -0.67 2.65 2.35 -0.52 0.03 115.58 120.78 2f77 h ASN 84 Ca 0.12 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2f77 h ASN 84 Cb 0.39 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2f77 h ASN 84 CO 0.01 0.55 0.19 -0.07 -1.65 0.00 0.00 177.43 176.47 2f77 h LEU 85 N 0.88 1.00 -0.65 1.61 3.38 -1.29 -2.47 115.31 117.76 2f77 h LEU 85 Ca 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2f77 h LEU 85 Cb -0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2f77 h LEU 85 CO -0.05 0.95 0.32 0.40 0.09 0.00 0.00 178.44 180.15 2f77 h ILE 86 N 1.02 1.22 -0.75 1.22 1.08 -0.77 -1.75 117.51 118.78 2f77 h ILE 86 Ca 0.22 -0.61 0.08 0.00 -0.39 0.00 0.00 64.86 64.16 2f77 h ILE 86 Cb 0.32 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 2f77 h ILE 86 CO -0.00 0.25 0.42 0.11 -0.69 0.00 0.00 178.15 178.24 2f77 h LYS 87 N 0.90 0.72 -0.29 2.37 1.57 -0.57 -0.42 116.57 120.85 2f77 h LYS 87 Ca 0.23 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 2f77 h LYS 87 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2f77 h LYS 87 CO -0.03 0.47 -0.26 0.93 -0.57 0.00 0.00 179.45 179.99 2f77 h GLU 88 N 0.74 0.58 -0.06 3.15 5.08 -1.20 0.18 114.58 123.05 2f77 h GLU 88 Ca 0.35 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2f77 h GLU 88 Cb 0.27 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2f77 h GLU 88 CO -0.22 0.79 0.01 1.25 -1.00 0.00 0.00 179.01 179.85 2f77 h LEU 89 N 0.51 0.09 -0.23 1.33 5.85 -0.26 0.55 115.31 123.15 2f77 h LEU 89 Ca 0.07 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.37 2f77 h LEU 89 Cb 0.72 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2f77 h LEU 89 CO 0.06 0.30 -0.56 0.16 -0.34 0.00 0.00 178.44 178.05 2f77 h ILE 90 N -0.13 1.29 -0.33 4.05 3.07 -1.08 -1.42 117.51 122.96 2f77 h ILE 90 Ca 0.02 -1.77 -0.05 0.00 1.55 0.00 0.00 64.86 64.61 2f77 h ILE 90 Cb 0.25 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 38.58 2f77 h ILE 90 CO 0.00 0.56 -0.01 0.44 -1.05 0.00 0.00 178.15 178.10 2f77 h ASP 91 N 0.52 0.57 -0.49 2.16 3.32 -0.60 -3.07 116.42 118.84 2f77 h ASP 91 Ca -0.01 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 2f77 h ASP 91 Cb 1.18 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2f77 h ASP 91 CO 0.12 0.75 0.12 0.50 -1.72 0.00 0.00 179.24 179.02 2f77 h LYS 92 N 0.39 0.79 -6.31 3.56 3.64 0.10 -3.41 116.57 115.32 2f77 h LYS 92 Ca 0.09 -0.19 -0.55 0.00 -1.27 0.00 0.00 60.65 58.73 2f77 h LYS 92 Cb 0.46 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2f77 h LYS 92 CO 0.02 0.76 0.59 0.21 -2.27 0.00 0.00 179.45 178.76 2f77 s LYS 93 N -5.32 4.41 0.04 1.90 2.20 -0.54 -4.99 119.74 117.46 2f77 s LYS 93 Ca -0.13 1.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.70 2f77 s LYS 93 Cb 0.11 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2f77 s LYS 93 CO 0.79 -0.33 1.32 -1.21 -0.36 0.00 0.00 175.35 175.56 2f77 s GLU 94 N 1.91 4.34 0.29 4.03 2.02 -1.26 -4.80 118.70 125.23 2f77 s GLU 94 Ca 0.52 1.90 0.02 0.00 0.02 0.00 0.00 54.97 57.44 2f77 s GLU 94 Cb -0.22 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 2f77 s GLU 94 CO 0.21 -0.43 0.08 0.54 0.02 0.00 0.00 175.26 175.69 2f77 s VAL 95 N 1.63 0.79 -0.57 2.63 0.11 -1.26 -5.11 120.40 118.62 2f77 s VAL 95 Ca 0.62 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.71 2f77 s VAL 95 Cb -0.32 -2.69 0.15 0.00 -1.53 0.00 0.00 36.38 32.00 2f77 s VAL 95 CO 0.28 0.00 0.37 0.21 -3.33 0.00 0.00 175.10 172.62 2f77 s ASN 96 N -3.39 4.10 0.59 3.54 3.04 -1.26 -5.10 114.94 116.47 2f77 s ASN 96 Ca 0.37 -3.32 -0.20 0.00 0.04 0.00 0.00 52.86 49.76 2f77 s ASN 96 Cb 0.08 -1.39 -0.04 0.00 -1.54 0.00 0.00 41.25 38.36 2f77 s ASN 96 CO 0.14 -0.17 1.23 -2.65 -3.04 0.00 0.00 177.10 172.61 2f77 n PRO 97 N 2.66 1.27 -0.33 0.43 -0.02 -1.25 -4.88 135.00 132.89 2f77 n PRO 97 Ca 0.15 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 2f77 n PRO 97 Cb 0.35 -2.44 0.27 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.86 0.70 -4.20 -0.52 1.08 -1.99 -3.33 115.11 107.71 2f77 h GLN 98 Ca -0.50 -0.04 -0.61 0.00 -1.45 0.00 0.00 58.65 56.05 2f77 h GLN 98 Cb 1.33 -0.16 -0.39 0.00 -0.05 0.00 0.00 27.48 28.22 2f77 h GLN 98 CO 0.54 0.46 -0.77 0.54 -0.95 0.00 0.00 178.83 178.66 2f77 s VAL 99 N -5.92 1.47 0.00 -0.54 0.11 -1.26 -5.24 120.40 109.02 2f77 s VAL 99 Ca -0.12 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 2f77 s VAL 99 Cb 0.23 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2f77 s VAL 99 CO 0.79 -0.32 0.00 0.23 -3.33 0.00 0.00 175.10 172.47