#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 0.61 3.32 3.03 0.00 -1.26 -4.88 105.19 106.01 2f77 n GLY 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.78 1.26 0.17 1.61 -0.21 -1.26 -5.09 119.66 115.37 2f77 s GLN 3 Ca 0.00 -1.59 -0.33 0.00 0.02 0.00 0.00 55.36 53.46 2f77 s GLN 3 Cb 0.00 -0.81 -0.14 0.00 1.00 0.00 0.00 33.01 33.06 2f77 s GLN 3 CO 0.00 0.05 1.50 0.39 -2.12 0.00 0.00 175.29 175.11 2f77 n GLU 4 N -0.35 1.99 -3.25 2.91 1.02 -1.26 -4.92 120.64 116.78 2f77 n GLU 4 Ca -0.08 0.71 -0.44 0.00 -0.02 0.00 0.00 57.16 57.34 2f77 n GLU 4 Cb 0.62 -2.44 -0.07 0.00 -0.02 0.00 0.00 31.44 29.54 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 0.65 5.34 0.86 -4.62 1.43 -1.26 -5.01 118.68 116.07 2f77 s LEU 5 Ca 0.77 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2f77 s LEU 5 Cb -0.71 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.31 2f77 s LEU 5 CO 0.42 -0.81 1.16 -0.94 0.23 0.00 0.00 176.35 176.41 2f77 s SER 6 N 2.80 4.00 0.26 2.29 1.04 -1.26 -4.59 113.70 118.24 2f77 s SER 6 Ca 0.10 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.37 2f77 s SER 6 Cb -0.22 -1.37 0.56 0.00 0.10 0.00 0.00 66.02 65.09 2f77 s SER 6 CO 0.09 -2.23 1.73 1.56 0.98 0.00 0.00 173.24 175.37 2f77 h GLN 7 N -1.28 0.49 -0.05 4.02 4.20 -1.99 0.64 115.11 121.15 2f77 h GLN 7 Ca -0.48 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 2f77 h GLN 7 Cb 1.33 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 2f77 h GLN 7 CO 0.63 0.32 -0.02 1.25 -0.67 0.00 0.00 178.83 180.35 2f77 h HIS 8 N 0.50 0.12 -0.56 2.96 2.76 -2.01 -2.67 115.15 116.26 2f77 h HIS 8 Ca 0.47 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.61 2f77 h HIS 8 Cb 0.76 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 2f77 h HIS 8 CO -0.13 0.48 0.32 0.93 -1.30 0.00 0.00 177.93 178.23 2f77 h GLU 9 N -0.28 0.76 -0.83 5.26 5.08 -1.56 -1.90 114.58 121.11 2f77 h GLU 9 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2f77 h GLU 9 Cb 0.45 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2f77 h GLU 9 CO 0.01 0.55 0.50 0.00 -1.00 0.00 0.00 179.01 179.07 2f77 h ARG 10 N 0.77 1.13 -0.54 2.33 3.08 0.37 -1.56 114.38 119.96 2f77 h ARG 10 Ca 0.20 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2f77 h ARG 10 Cb -0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 2f77 h ARG 10 CO -0.04 0.79 0.26 -0.92 -1.07 0.00 0.00 179.97 179.00 2f77 h TYR 11 N 1.14 0.75 -0.46 3.04 3.20 -1.00 -2.42 116.97 121.23 2f77 h TYR 11 Ca 0.30 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2f77 h TYR 11 Cb -0.05 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2f77 h TYR 11 CO -0.00 0.56 0.29 0.28 -1.64 0.00 0.00 178.16 177.65 2f77 h VAL 12 N 0.76 1.13 -0.50 1.81 2.07 -1.00 -0.70 116.25 119.82 2f77 h VAL 12 Ca 0.19 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2f77 h VAL 12 Cb 0.08 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2f77 h VAL 12 CO -0.03 0.13 0.24 -0.08 0.02 0.00 0.00 177.57 177.85 2f77 h GLU 13 N 0.62 0.45 -0.79 1.57 4.81 -1.11 0.04 114.58 120.17 2f77 h GLU 13 Ca 0.17 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2f77 h GLU 13 Cb -0.04 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2f77 h GLU 13 CO -0.03 0.30 0.40 0.37 -0.73 0.00 0.00 179.01 179.31 2f77 h GLN 14 N 0.46 1.12 -0.62 1.92 4.15 -1.20 -1.94 115.11 119.01 2f77 h GLN 14 Ca 0.23 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2f77 h GLN 14 Cb 0.16 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 2f77 h GLN 14 CO -0.18 0.85 0.33 1.25 -1.93 0.00 0.00 178.83 179.15 2f77 h LEU 15 N 1.12 0.78 -1.06 -2.39 5.85 0.28 -2.17 115.31 117.71 2f77 h LEU 15 Ca 0.28 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2f77 h LEU 15 Cb 0.08 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2f77 h LEU 15 CO -0.04 0.66 0.45 0.50 -0.34 0.00 0.00 178.44 179.67 2f77 h LYS 16 N 0.84 1.10 -0.33 1.25 3.64 -0.45 -1.02 116.57 121.61 2f77 h LYS 16 Ca 0.22 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2f77 h LYS 16 Cb 0.06 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2f77 h LYS 16 CO -0.03 0.80 0.20 1.96 -2.27 0.00 0.00 179.45 180.10 2f77 h GLN 17 N 1.11 0.40 -0.66 1.90 4.20 -0.75 0.34 115.11 121.65 2f77 h GLN 17 Ca 0.28 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.90 2f77 h GLN 17 Cb 0.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2f77 h GLN 17 CO -0.05 0.26 0.15 0.00 -0.67 0.00 0.00 178.83 178.52 2f77 h ALA 18 N 1.14 1.01 -0.52 3.87 0.00 -1.00 -2.45 119.26 121.30 2f77 h ALA 18 Ca 0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2f77 h ALA 18 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2f77 h ALA 18 CO -0.05 0.64 -0.09 -0.07 0.00 0.00 0.00 179.25 179.68 2f77 h LEU 19 N 1.00 0.98 -0.83 0.00 3.38 -0.59 -2.68 115.31 116.58 2f77 h LEU 19 Ca 0.21 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2f77 h LEU 19 Cb 0.37 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2f77 h LEU 19 CO 0.00 1.10 0.51 0.50 0.09 0.00 0.00 178.44 180.64 2f77 h LYS 20 N 0.85 0.91 -0.27 1.13 3.64 0.01 -0.74 116.57 122.09 2f77 h LYS 20 Ca 0.14 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2f77 h LYS 20 Cb 0.65 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2f77 h LYS 20 CO 0.04 0.60 -0.10 1.79 -2.27 0.00 0.00 179.45 179.52 2f77 h THR 21 N 0.93 1.21 0.00 1.00 1.35 -1.22 -1.04 112.91 115.15 2f77 h THR 21 Ca 0.36 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2f77 h THR 21 Cb 0.16 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2f77 h THR 21 CO -0.17 0.30 0.00 0.03 -0.25 0.00 0.00 175.52 175.43 2f77 h ARG 22 N 0.42 0.00 0.00 4.72 3.08 -0.83 -3.45 114.38 118.32 2f77 h ARG 22 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2f77 h ARG 22 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 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 0.12 0.90 3.21 0.04 0.00 -0.40 -5.11 105.19 103.95 2f77 n GLY 23 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.55 1.85 -0.32 1.61 1.01 -0.89 -4.97 120.40 118.14 2f77 s VAL 24 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2f77 s VAL 24 Cb 0.00 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.90 2f77 s VAL 24 CO 0.00 0.52 0.11 -0.54 0.00 0.00 0.00 175.10 175.19 2f77 s LYS 25 N 0.05 0.75 0.13 2.72 1.02 -1.26 -4.17 119.74 118.98 2f77 s LYS 25 Ca -0.08 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 54.77 2f77 s LYS 25 Cb -0.14 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2f77 s LYS 25 CO 0.05 -1.01 0.00 0.14 -0.92 0.00 0.00 175.35 173.61 2f77 s VAL 26 N 1.51 0.45 0.42 3.17 -7.23 -1.26 -4.92 120.40 112.54 2f77 s VAL 26 Ca 0.11 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.13 2f77 s VAL 26 Cb -0.18 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 2f77 s VAL 26 CO -0.23 -0.62 0.97 -0.54 -0.31 0.00 0.00 175.10 174.37 2f77 s LYS 27 N -3.94 4.22 0.16 4.82 1.02 -1.26 -4.96 119.74 119.81 2f77 s LYS 27 Ca 0.19 1.22 -0.13 0.00 0.02 0.00 0.00 55.97 57.27 2f77 s LYS 27 Cb 0.07 -2.29 0.05 0.00 -0.52 0.00 0.00 37.83 35.14 2f77 s LYS 27 CO -0.00 -0.05 1.70 1.88 -0.92 0.00 0.00 175.35 177.96 2f77 h TYR 28 N 2.10 0.86 -0.74 3.18 -1.99 -2.01 -2.21 116.97 116.17 2f77 h TYR 28 Ca -0.49 -0.08 0.17 0.00 2.00 0.00 0.00 58.73 60.33 2f77 h TYR 28 Cb 1.19 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 2f77 h TYR 28 CO 0.61 0.72 0.50 0.00 -0.00 0.00 0.00 178.16 180.00 2f77 h ALA 29 N 1.05 2.29 -0.90 3.88 0.00 -1.92 0.95 119.26 124.60 2f77 h ALA 29 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2f77 h ALA 29 Cb 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2f77 h ALA 29 CO -0.01 -0.50 0.52 0.22 0.00 0.00 0.00 179.25 179.48 2f77 h ASP 30 N 0.28 1.10 -0.36 0.00 1.82 -1.73 -0.23 116.42 117.30 2f77 h ASP 30 Ca 0.36 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 2f77 h ASP 30 Cb 1.02 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 2f77 h ASP 30 CO -0.09 0.87 0.18 -0.07 -1.61 0.00 0.00 179.24 178.52 2f77 h LEU 31 N 1.25 0.46 -0.67 2.28 -0.00 -0.84 0.21 115.31 117.99 2f77 h LEU 31 Ca 0.32 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 2f77 h LEU 31 Cb -0.01 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.50 2f77 h LEU 31 CO -0.06 0.44 0.28 -0.07 -0.00 0.00 0.00 178.44 179.03 2f77 h LEU 32 N 0.44 0.93 -0.85 1.67 3.38 -1.25 -2.48 115.31 117.14 2f77 h LEU 32 Ca 0.12 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2f77 h LEU 32 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2f77 h LEU 32 CO -0.02 0.84 -0.22 0.11 0.09 0.00 0.00 178.44 179.25 2f77 h LYS 33 N 0.95 0.61 -0.26 1.13 1.57 -0.67 -2.78 116.57 117.12 2f77 h LYS 33 Ca 0.23 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2f77 h LYS 33 Cb 0.20 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2f77 h LYS 33 CO -0.02 0.78 -0.08 0.35 -0.57 0.00 0.00 179.45 179.91 2f77 h PHE 34 N 0.54 -0.18 -0.80 -1.35 3.57 -0.14 0.29 116.94 118.87 2f77 h PHE 34 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2f77 h PHE 34 Cb 0.67 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 2f77 h PHE 34 CO 0.03 -0.14 0.48 0.74 -2.23 0.00 0.00 178.31 177.19 2f77 h PHE 35 N -0.03 1.07 -0.76 0.41 0.04 -1.37 -2.06 116.94 114.24 2f77 h PHE 35 Ca 0.13 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 2f77 h PHE 35 Cb 0.22 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2f77 h PHE 35 CO -0.28 0.72 0.27 -0.44 -0.60 0.00 0.00 178.31 177.99 2f77 h ASP 36 N 1.11 1.08 -0.46 2.17 3.32 -0.99 -2.45 116.42 120.19 2f77 h ASP 36 Ca 0.29 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2f77 h ASP 36 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2f77 h ASP 36 CO -0.05 0.98 0.29 0.15 -1.72 0.00 0.00 179.24 178.88 2f77 h PHE 37 N 1.12 0.55 -0.16 4.55 3.57 0.20 0.17 116.94 126.94 2f77 h PHE 37 Ca 0.25 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2f77 h PHE 37 Cb 0.26 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2f77 h PHE 37 CO 0.02 0.33 0.03 0.28 -2.23 0.00 0.00 178.31 176.74 2f77 h VAL 38 N 0.59 0.93 -0.11 1.41 2.07 -1.06 -1.09 116.25 118.98 2f77 h VAL 38 Ca 0.18 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 2f77 h VAL 38 Cb -0.02 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2f77 h VAL 38 CO -0.06 0.02 -0.13 0.11 0.02 0.00 0.00 177.57 177.52 2f77 h LYS 39 N 0.10 0.18 0.00 1.57 1.57 -1.08 -1.14 116.57 117.76 2f77 h LYS 39 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2f77 h LYS 39 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2f77 h LYS 39 CO -0.09 0.32 0.00 -0.44 -0.57 0.00 0.00 179.45 178.67 2f77 h ASP 40 N 0.17 0.00 -0.42 0.86 3.32 0.57 -2.28 116.42 118.64 2f77 h ASP 40 Ca 0.03 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.16 2f77 h ASP 40 Cb 0.35 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2f77 h ASP 40 CO 0.02 0.00 0.03 0.74 -1.72 0.00 0.00 179.24 178.31 2f77 h THR 41 N 0.00 0.72 0.00 0.35 2.02 -0.40 -3.29 112.91 112.31 2f77 h THR 41 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2f77 h THR 41 Cb 0.37 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2f77 h THR 41 CO 0.00 0.03 -0.03 0.00 0.37 0.00 0.00 175.52 175.88 2f77 h PRO 43 N 0.00 0.04 -3.23 0.00 0.11 -1.63 -3.35 132.00 123.93 2f77 h PRO 43 Ca 0.00 -0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.67 2f77 h PRO 43 Cb 0.03 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 30.73 2f77 h PRO 43 CO 0.00 0.03 -0.75 -1.58 -0.21 0.00 0.00 178.00 175.49 2f77 s TRP 44 N -5.96 0.29 0.14 0.65 0.51 -1.09 -5.00 118.94 108.48 2f77 s TRP 44 Ca -0.12 -0.20 -0.14 0.00 -2.12 0.00 0.00 56.10 53.51 2f77 s TRP 44 Cb 0.29 -0.68 0.00 0.00 -0.81 0.00 0.00 33.47 32.27 2f77 s TRP 44 CO 0.78 -0.42 1.63 0.35 -0.51 0.00 0.00 176.95 178.78 2f77 h PHE 45 N 8.40 0.76 -2.40 -1.98 3.57 -1.71 -3.37 116.94 120.20 2f77 h PHE 45 Ca -0.15 -0.10 -0.57 0.00 3.53 0.00 0.00 57.97 60.68 2f77 h PHE 45 Cb 1.14 -0.21 0.06 0.00 2.79 0.00 0.00 35.95 39.73 2f77 h PHE 45 CO 0.29 0.71 0.80 -2.30 -2.23 0.00 0.00 178.31 175.58 2f77 n PRO 46 N -4.50 2.22 -5.18 6.41 -0.02 -1.26 -4.93 135.00 127.75 2f77 n PRO 46 Ca 0.00 0.80 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 2f77 n PRO 46 Cb 0.23 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 30.98 2f77 n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2f77 s GLN 47 N 0.72 2.78 -0.06 -0.52 -0.21 -1.26 -4.93 119.66 116.19 2f77 s GLN 47 Ca 0.76 -0.86 -0.02 0.00 0.02 0.00 0.00 55.36 55.26 2f77 s GLN 47 Cb -0.65 -2.26 0.04 0.00 1.00 0.00 0.00 33.01 31.13 2f77 s GLN 47 CO 0.39 0.32 0.12 -1.21 -2.12 0.00 0.00 175.29 172.79 2f77 s GLU 48 N 0.01 0.04 0.00 2.91 0.41 -1.26 -5.12 118.70 115.69 2f77 s GLU 48 Ca -0.08 0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 2f77 s GLU 48 Cb -0.15 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 31.97 2f77 s GLU 48 CO 0.05 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.03 2f77 n GLY 49 N 4.46 4.56 3.82 -1.39 0.00 -1.26 -5.06 105.19 110.32 2f77 n GLY 49 Ca -0.22 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.77 4.74 -0.11 2.61 2.01 -1.26 -5.07 115.64 116.78 2f77 s THR 50 Ca 0.00 1.08 0.02 0.00 0.31 0.00 0.00 61.69 63.10 2f77 s THR 50 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2f77 s THR 50 CO 0.00 0.33 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.57 2f77 s ILE 51 N -1.37 2.54 0.23 1.82 -1.16 -1.26 -4.87 121.20 117.13 2f77 s ILE 51 Ca 0.36 -0.85 -0.30 0.00 -0.51 0.00 0.00 60.65 59.36 2f77 s ILE 51 Cb -0.17 -2.02 -0.09 0.00 0.61 0.00 0.00 42.46 40.79 2f77 s ILE 51 CO 0.20 0.54 1.21 -0.62 -2.81 0.00 0.00 174.94 173.46 2f77 s ASP 52 N 0.32 7.06 0.51 4.50 2.15 -1.26 -4.90 116.67 125.05 2f77 s ASP 52 Ca -0.14 2.33 0.26 0.00 0.43 0.00 0.00 52.55 55.42 2f77 s ASP 52 Cb -0.17 -2.62 1.39 0.00 -0.30 0.00 0.00 42.92 41.23 2f77 s ASP 52 CO 0.07 -0.36 2.06 0.40 -0.17 0.00 0.00 175.17 177.17 2f77 h ILE 53 N 3.50 0.63 -0.60 4.11 2.04 -1.91 -2.23 117.51 123.05 2f77 h ILE 53 Ca -0.46 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 2f77 h ILE 53 Cb 1.21 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2f77 h ILE 53 CO 0.72 0.13 0.08 0.11 0.00 0.00 0.00 178.15 179.19 2f77 h LYS 54 N 0.00 0.98 0.00 2.37 1.57 -1.84 -2.40 116.57 117.26 2f77 h LYS 54 Ca -0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2f77 h LYS 54 Cb 0.34 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2f77 h LYS 54 CO 0.02 0.92 -0.26 0.35 -0.57 0.00 0.00 179.45 179.91 2f77 h PHE 55 N 0.92 0.00 -0.84 -1.35 3.57 -1.77 -3.28 116.94 114.19 2f77 h PHE 55 Ca 0.18 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 2f77 h PHE 55 Cb 0.42 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2f77 h PHE 55 CO 0.03 0.00 0.55 2.35 -2.23 0.00 0.00 178.31 179.01 2f77 h TRP 56 N 0.00 1.06 -0.70 0.41 7.01 -0.89 -1.68 115.95 121.17 2f77 h TRP 56 Ca 0.00 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.08 2f77 h TRP 56 Cb 0.94 -0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 27.59 2f77 h TRP 56 CO 0.00 0.68 0.40 0.00 -2.79 0.00 0.00 178.44 176.73 2f77 h ARG 57 N 1.14 0.71 -0.43 2.65 2.47 -1.61 0.39 114.38 119.71 2f77 h ARG 57 Ca 0.31 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.84 2f77 h ARG 57 Cb -0.12 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.03 2f77 h ARG 57 CO -0.06 0.47 -0.28 0.00 0.56 0.00 0.00 179.97 180.65 2f77 h ARG 58 N 0.74 0.93 -0.31 0.04 3.08 -1.58 -2.78 114.38 114.50 2f77 h ARG 58 Ca 0.31 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2f77 h ARG 58 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2f77 h ARG 58 CO -0.18 1.09 0.17 0.28 -1.07 0.00 0.00 179.97 180.26 2f77 h VAL 59 N 0.79 1.13 -0.33 2.04 2.07 -0.43 0.11 116.25 121.63 2f77 h VAL 59 Ca 0.09 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2f77 h VAL 59 Cb 0.86 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2f77 h VAL 59 CO 0.08 0.13 0.04 1.23 0.02 0.00 0.00 177.57 179.07 2f77 h GLY 60 N 0.39 0.36 1.64 2.17 0.00 -0.88 0.30 103.07 107.04 2f77 h GLY 60 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2f77 h GLY 60 CO -0.02 -0.04 -0.18 -0.55 0.00 0.00 0.00 176.54 175.75 2f77 h ASP 61 N 0.14 0.43 0.22 0.19 3.32 -1.20 0.11 116.42 119.63 2f77 h ASP 61 Ca 0.16 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2f77 h ASP 61 Cb 0.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2f77 h ASP 61 CO -0.23 0.63 -0.11 0.00 -1.72 0.00 0.00 179.24 177.81 2f77 h PHE 63 N -0.76 0.81 -0.20 0.00 -1.00 -0.43 -2.22 116.94 113.13 2f77 h PHE 63 Ca -0.03 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 2f77 h PHE 63 Cb 0.50 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2f77 h PHE 63 CO 0.05 0.71 0.06 0.37 -1.61 0.00 0.00 178.31 177.89 2f77 h GLN 64 N 0.67 0.28 -0.30 1.51 4.15 -0.81 0.18 115.11 120.79 2f77 h GLN 64 Ca 0.16 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2f77 h GLN 64 Cb 0.29 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2f77 h GLN 64 CO -0.00 0.26 0.08 0.22 -1.93 0.00 0.00 178.83 177.45 2f77 h ASP 65 N 0.28 0.45 0.71 -0.69 1.82 -0.51 -2.58 116.42 115.91 2f77 h ASP 65 Ca 0.07 -0.22 -0.12 0.00 -0.39 0.00 0.00 57.03 56.37 2f77 h ASP 65 Cb 0.10 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 2f77 h ASP 65 CO -0.00 0.56 -0.56 1.88 -1.61 0.00 0.00 179.24 179.50 2f77 h TYR 66 N 0.32 0.00 0.35 0.28 0.05 -1.11 -2.24 116.97 114.62 2f77 h TYR 66 Ca 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2f77 h TYR 66 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2f77 h TYR 66 CO 0.01 0.56 -0.17 -0.92 -1.05 0.00 0.00 178.16 176.60 2f77 h TYR 67 N 0.00 -0.43 -0.23 4.88 3.20 -0.65 0.84 116.97 124.58 2f77 h TYR 67 Ca -0.01 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 2f77 h TYR 67 Cb 1.07 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2f77 h TYR 67 CO 0.00 -0.27 -0.41 -0.91 -1.64 0.00 0.00 178.16 174.94 2f77 h ASN 68 N -0.47 0.58 -0.36 -2.11 -0.26 -1.48 2.09 115.58 113.56 2f77 h ASN 68 Ca -0.05 -0.26 -0.01 0.00 -0.56 0.00 0.00 56.30 55.43 2f77 h ASN 68 Cb 0.36 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2f77 h ASN 68 CO 0.08 0.92 0.18 0.74 -1.06 0.00 0.00 177.43 178.29 2f77 h THR 69 N 0.45 1.16 0.00 2.81 2.02 -1.11 -3.39 112.91 114.84 2f77 h THR 69 Ca 0.04 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 2f77 h THR 69 Cb 0.90 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2f77 h THR 69 CO 0.08 0.16 -1.16 0.49 0.37 0.00 0.00 175.52 175.46 2f77 n PHE 70 N -4.74 0.00 0.00 3.16 3.72 0.26 -5.08 117.46 114.78 2f77 n PHE 70 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2f77 n PHE 70 Cb 0.10 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 2.72 0.90 0.09 1.37 0.00 0.71 -4.83 105.19 106.15 2f77 n GLY 71 Ca -0.10 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.17 2f77 n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f77 n PRO 72 N 0.00 0.20 0.09 1.61 -0.04 -1.26 -3.68 135.00 131.92 2f77 n PRO 72 Ca 0.00 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2f77 n PRO 72 Cb 0.00 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 31.61 2f77 n PRO 72 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2f77 h GLU 73 N 0.00 -0.18 -0.67 0.54 4.39 -1.93 1.06 114.58 117.79 2f77 h GLU 73 Ca 0.00 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 2f77 h GLU 73 Cb 0.58 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2f77 h GLU 73 CO 0.00 0.00 0.18 0.87 -1.16 0.00 0.00 179.01 178.91 2f77 h LYS 74 N -0.33 1.06 -2.10 2.33 1.79 -1.91 -3.38 116.57 114.04 2f77 h LYS 74 Ca -0.02 -0.25 -0.47 0.00 -2.18 0.00 0.00 60.65 57.73 2f77 h LYS 74 Cb 0.27 -0.15 -0.33 0.00 -1.58 0.00 0.00 32.23 30.44 2f77 h LYS 74 CO 0.03 0.94 -0.82 0.14 -1.08 0.00 0.00 179.45 178.66 2f77 s VAL 75 N -5.35 -0.05 0.76 0.50 -7.23 -1.10 -5.03 120.40 102.91 2f77 s VAL 75 Ca -0.12 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 2f77 s VAL 75 Cb 0.14 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 36.18 2f77 s VAL 75 CO 0.83 -0.87 0.86 -2.65 -0.31 0.00 0.00 175.10 172.96 2f77 n PRO 76 N 3.36 0.32 0.00 4.82 -0.02 0.37 -4.53 135.00 139.32 2f77 n PRO 76 Ca 0.21 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2f77 n PRO 76 Cb 0.47 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2f77 n PRO 76 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2f77 n VAL 77 N -2.73 0.80 -0.30 -1.45 3.14 -1.26 -1.50 118.33 115.03 2f77 n VAL 77 Ca 0.12 0.30 -0.04 0.00 -2.96 0.00 0.00 64.34 61.75 2f77 n VAL 77 Cb 0.50 -1.30 0.07 0.00 -1.06 0.00 0.00 33.84 32.05 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2f77 h THR 78 N 0.00 1.24 -0.58 1.55 1.35 -1.95 -2.31 112.91 112.21 2f77 h THR 78 Ca 0.00 -0.55 0.07 0.00 -0.55 0.00 0.00 66.41 65.39 2f77 h THR 78 Cb 0.20 0.11 -0.06 0.00 -1.73 0.00 0.00 68.15 66.67 2f77 h THR 78 CO 0.00 0.25 0.25 0.00 -0.25 0.00 0.00 175.52 175.77 2f77 h ALA 79 N 1.25 0.74 -0.68 6.62 0.00 -1.59 0.14 119.26 125.76 2f77 h ALA 79 Ca 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2f77 h ALA 79 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2f77 h ALA 79 CO -0.05 -0.14 0.39 0.74 0.00 0.00 0.00 179.25 180.19 2f77 h PHE 80 N 0.46 0.90 -0.27 0.00 -1.00 -1.63 0.14 116.94 115.53 2f77 h PHE 80 Ca 0.28 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 2f77 h PHE 80 Cb 0.28 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2f77 h PHE 80 CO -0.14 0.62 0.11 0.77 -1.61 0.00 0.00 178.31 178.06 2f77 h SER 81 N 0.92 0.37 -0.67 2.17 0.02 -0.71 -0.94 113.55 114.72 2f77 h SER 81 Ca 0.24 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2f77 h SER 81 Cb -0.00 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2f77 h SER 81 CO -0.04 0.44 0.27 1.88 -1.14 0.00 0.00 176.83 178.23 2f77 h TYR 82 N 0.29 1.01 -0.69 3.45 0.05 -0.44 -2.36 116.97 118.28 2f77 h TYR 82 Ca 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2f77 h TYR 82 Cb 0.18 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 2f77 h TYR 82 CO -0.01 0.79 0.37 2.35 -1.05 0.00 0.00 178.16 180.61 2f77 h TRP 83 N 0.94 0.94 -0.67 4.88 2.91 -0.46 -1.94 115.95 122.56 2f77 h TRP 83 Ca 0.22 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.30 2f77 h TRP 83 Cb 0.20 -0.30 -0.06 0.00 -0.51 0.00 0.00 29.16 28.49 2f77 h TRP 83 CO 0.01 0.66 0.36 -0.91 -1.03 0.00 0.00 178.44 177.53 2f77 h ASN 84 N 0.97 0.50 -0.64 2.65 -0.26 -0.63 0.13 115.58 118.29 2f77 h ASN 84 Ca 0.24 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.94 2f77 h ASN 84 Cb 0.04 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 2f77 h ASN 84 CO -0.04 0.31 0.06 -0.07 -1.06 0.00 0.00 177.43 176.63 2f77 h LEU 85 N 0.64 1.07 -0.74 1.61 3.38 -1.23 -2.76 115.31 117.28 2f77 h LEU 85 Ca 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2f77 h LEU 85 Cb 0.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2f77 h LEU 85 CO -0.22 1.08 0.40 0.40 0.09 0.00 0.00 178.44 180.20 2f77 h ILE 86 N 1.01 1.22 -1.00 1.22 1.08 -0.47 -1.29 117.51 119.28 2f77 h ILE 86 Ca 0.19 -0.56 0.05 0.00 -0.39 0.00 0.00 64.86 64.15 2f77 h ILE 86 Cb 0.50 0.25 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2f77 h ILE 86 CO 0.02 0.25 0.65 0.50 -0.69 0.00 0.00 178.15 178.88 2f77 h LYS 87 N 1.02 1.19 -0.21 2.37 3.64 -0.53 -0.38 116.57 123.66 2f77 h LYS 87 Ca 0.26 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 2f77 h LYS 87 Cb 0.04 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2f77 h LYS 87 CO -0.04 0.78 -0.54 0.93 -2.27 0.00 0.00 179.45 178.32 2f77 h GLU 88 N 1.22 0.60 -0.44 1.90 5.08 -1.15 -0.08 114.58 121.72 2f77 h GLU 88 Ca 0.42 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2f77 h GLU 88 Cb 0.09 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2f77 h GLU 88 CO -0.15 0.99 0.04 -0.07 -1.00 0.00 0.00 179.01 178.81 2f77 h LEU 89 N 0.47 0.72 -0.16 1.33 4.07 -0.25 -2.66 115.31 118.84 2f77 h LEU 89 Ca 0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 2f77 h LEU 89 Cb 1.09 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.63 2f77 h LEU 89 CO 0.10 0.83 -0.07 0.16 -1.08 0.00 0.00 178.44 178.38 2f77 h ILE 90 N 0.59 0.12 0.01 1.22 3.07 -1.07 -3.23 117.51 118.23 2f77 h ILE 90 Ca 0.13 -1.12 -0.00 0.00 1.55 0.00 0.00 64.86 65.42 2f77 h ILE 90 Cb 0.44 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 2f77 h ILE 90 CO 0.02 0.07 -0.00 -0.78 -1.05 0.00 0.00 178.15 176.40 2f77 h ASP 91 N 0.00 -0.01 -0.72 2.16 1.82 -0.64 -2.83 116.42 116.20 2f77 h ASP 91 Ca -0.00 -0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 2f77 h ASP 91 Cb 1.00 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 2f77 h ASP 91 CO 0.01 0.11 0.31 0.11 -1.61 0.00 0.00 179.24 178.17 2f77 h LYS 92 N -0.13 1.06 -6.81 0.28 1.57 -1.59 -3.42 116.57 107.53 2f77 h LYS 92 Ca -0.00 -0.18 -0.51 0.00 -1.87 0.00 0.00 60.65 58.09 2f77 h LYS 92 Cb 0.12 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.28 2f77 h LYS 92 CO 0.00 0.86 0.52 0.15 -0.57 0.00 0.00 179.45 180.41 2f77 s LYS 93 N -5.60 4.56 -0.91 3.15 1.02 -1.07 -4.93 119.74 115.98 2f77 s LYS 93 Ca -0.13 1.90 -0.24 0.00 0.02 0.00 0.00 55.97 57.52 2f77 s LYS 93 Cb 0.15 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2f77 s LYS 93 CO 0.82 0.10 1.62 -1.21 -0.92 0.00 0.00 175.35 175.76 2f77 s GLU 94 N -1.41 3.12 0.38 1.68 8.01 -1.26 -4.87 118.70 124.34 2f77 s GLU 94 Ca 0.46 -0.58 0.08 0.00 0.01 0.00 0.00 54.97 54.94 2f77 s GLU 94 Cb -0.34 -5.02 -0.04 0.00 -4.31 0.00 0.00 34.13 24.42 2f77 s GLU 94 CO 0.43 -2.62 0.21 0.54 0.01 0.00 0.00 175.26 173.84 2f77 s VAL 95 N 7.06 2.75 -0.28 2.63 0.11 -1.26 -5.02 120.40 126.37 2f77 s VAL 95 Ca 0.54 -1.61 -0.29 0.00 -2.93 0.00 0.00 61.98 57.69 2f77 s VAL 95 Cb -0.04 -3.00 -0.06 0.00 -1.53 0.00 0.00 36.38 31.75 2f77 s VAL 95 CO -0.01 -0.09 2.26 -3.20 -3.33 0.00 0.00 175.10 170.73 2f77 n ASN 96 N -1.27 2.95 -3.40 3.54 4.05 -1.26 -4.94 115.26 114.93 2f77 n ASN 96 Ca -0.01 0.12 0.00 0.00 0.45 0.00 0.00 54.58 55.14 2f77 n ASN 96 Cb 0.62 -1.52 0.00 0.00 1.23 0.00 0.00 39.78 40.11 2f77 n ASN 96 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2f77 n PRO 97 N 8.73 -0.34 -0.25 1.20 -0.02 -1.26 -4.46 135.00 138.60 2f77 n PRO 97 Ca 0.33 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.74 2f77 n PRO 97 Cb 0.43 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.96 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 1.08 -4.68 -0.52 4.20 -1.95 -3.43 115.11 109.81 2f77 h GLN 98 Ca 0.00 -0.23 -0.50 0.00 0.06 0.00 0.00 58.65 57.99 2f77 h GLN 98 Cb 0.00 -0.16 -0.32 0.00 0.30 0.00 0.00 27.48 27.30 2f77 h GLN 98 CO 0.00 0.93 -0.81 0.08 -0.67 0.00 0.00 178.83 178.36 2f77 s VAL 99 N -5.43 1.07 -2.00 -0.54 1.01 -1.26 -4.96 120.40 108.29 2f77 s VAL 99 Ca -0.12 -0.48 0.30 0.00 0.00 0.00 0.00 61.98 61.68 2f77 s VAL 99 Cb 0.14 -0.96 0.85 0.00 0.00 0.00 0.00 36.38 36.41 2f77 s VAL 99 CO 0.83 0.33 2.11 0.80 0.00 0.00 0.00 175.10 179.17