#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 0.67 3.92 -5.12 0.00 -1.26 -5.04 105.19 98.36 2f77 n GLY 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.27 3.56 0.18 1.61 -0.21 -1.26 -5.00 119.66 118.27 2f77 s GLN 3 Ca 0.00 -0.03 -0.33 0.00 0.02 0.00 0.00 55.36 55.02 2f77 s GLN 3 Cb 0.00 -2.55 -0.15 0.00 1.00 0.00 0.00 33.01 31.31 2f77 s GLN 3 CO 0.00 0.05 1.41 0.39 -2.12 0.00 0.00 175.29 175.02 2f77 n GLU 4 N -1.68 1.77 -3.04 2.91 1.02 -1.26 -4.89 120.64 115.47 2f77 n GLU 4 Ca -0.02 0.63 -0.44 0.00 -0.02 0.00 0.00 57.16 57.32 2f77 n GLU 4 Cb 0.55 -2.30 -0.05 0.00 -0.02 0.00 0.00 31.44 29.62 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 0.51 4.85 0.86 -4.62 1.43 -1.26 -4.98 118.68 115.47 2f77 s LEU 5 Ca 0.75 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2f77 s LEU 5 Cb -0.75 -2.45 0.15 0.00 0.03 0.00 0.00 46.19 43.17 2f77 s LEU 5 CO 0.46 -1.12 1.20 -0.94 0.23 0.00 0.00 176.35 176.18 2f77 s SER 6 N 3.19 3.78 0.21 2.29 1.04 -1.26 -4.71 113.70 118.24 2f77 s SER 6 Ca 0.18 0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 2f77 s SER 6 Cb -0.19 -0.51 0.28 0.00 0.10 0.00 0.00 66.02 65.70 2f77 s SER 6 CO 0.11 -2.29 1.75 -0.61 0.98 0.00 0.00 173.24 173.17 2f77 h GLN 7 N -1.21 0.42 -0.40 4.02 4.15 -1.99 0.17 115.11 120.26 2f77 h GLN 7 Ca -0.43 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 2f77 h GLN 7 Cb 1.27 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2f77 h GLN 7 CO 0.46 0.28 0.02 1.25 -1.93 0.00 0.00 178.83 178.90 2f77 h HIS 8 N 0.43 0.76 -0.95 3.99 2.76 -2.00 -2.52 115.15 117.62 2f77 h HIS 8 Ca 0.31 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2f77 h HIS 8 Cb 0.36 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 2f77 h HIS 8 CO -0.16 0.77 0.63 0.93 -1.30 0.00 0.00 177.93 178.80 2f77 h GLU 9 N 0.54 1.26 -0.68 5.26 4.39 -1.60 -1.68 114.58 122.06 2f77 h GLU 9 Ca 0.12 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2f77 h GLU 9 Cb 0.45 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2f77 h GLU 9 CO 0.02 0.83 0.28 0.00 -1.16 0.00 0.00 179.01 178.98 2f77 h ARG 10 N 1.29 1.00 -0.52 2.33 3.08 -0.47 -1.95 114.38 119.13 2f77 h ARG 10 Ca 0.35 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2f77 h ARG 10 Cb -0.14 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.71 2f77 h ARG 10 CO -0.07 0.81 0.24 -0.92 -1.07 0.00 0.00 179.97 178.96 2f77 h TYR 11 N 0.98 0.73 -0.55 3.04 3.20 -0.88 -2.31 116.97 121.17 2f77 h TYR 11 Ca 0.23 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 2f77 h TYR 11 Cb 0.18 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2f77 h TYR 11 CO 0.01 0.55 0.28 0.28 -1.64 0.00 0.00 178.16 177.64 2f77 h VAL 12 N 0.74 1.19 -0.55 1.81 2.07 -0.97 0.20 116.25 120.75 2f77 h VAL 12 Ca 0.18 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2f77 h VAL 12 Cb 0.10 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2f77 h VAL 12 CO -0.02 0.22 0.35 -0.08 0.02 0.00 0.00 177.57 178.05 2f77 h GLU 13 N 0.75 0.69 -0.42 1.57 4.81 -1.23 0.21 114.58 120.96 2f77 h GLU 13 Ca 0.19 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2f77 h GLU 13 Cb 0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2f77 h GLU 13 CO -0.03 0.46 -0.20 0.37 -0.73 0.00 0.00 179.01 178.88 2f77 h GLN 14 N 0.71 0.82 -0.87 1.92 4.15 -1.08 -2.55 115.11 118.21 2f77 h GLN 14 Ca 0.21 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2f77 h GLN 14 Cb -0.05 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2f77 h GLN 14 CO -0.06 0.95 0.47 1.25 -1.93 0.00 0.00 178.83 179.51 2f77 h LEU 15 N 0.72 1.10 -0.75 -2.39 5.85 0.15 -2.22 115.31 117.77 2f77 h LEU 15 Ca 0.10 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2f77 h LEU 15 Cb 0.72 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2f77 h LEU 15 CO 0.06 0.89 0.35 0.50 -0.34 0.00 0.00 178.44 179.90 2f77 h LYS 16 N 1.22 1.09 -0.60 1.25 3.64 -0.70 -1.77 116.57 120.71 2f77 h LYS 16 Ca 0.31 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2f77 h LYS 16 Cb 0.04 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 2f77 h LYS 16 CO -0.05 0.86 0.34 1.96 -2.27 0.00 0.00 179.45 180.29 2f77 h GLN 17 N 1.07 0.63 -0.77 1.90 4.20 -1.01 0.72 115.11 121.84 2f77 h GLN 17 Ca 0.26 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2f77 h GLN 17 Cb 0.14 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2f77 h GLN 17 CO -0.03 0.42 0.37 0.00 -0.67 0.00 0.00 178.83 178.91 2f77 h ALA 18 N 1.29 0.99 -0.62 3.87 0.00 -1.06 -2.23 119.26 121.51 2f77 h ALA 18 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2f77 h ALA 18 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2f77 h ALA 18 CO -0.14 0.55 0.17 -0.07 0.00 0.00 0.00 179.25 179.76 2f77 h LEU 19 N 1.08 0.89 -0.72 0.00 3.38 -0.41 -2.45 115.31 117.08 2f77 h LEU 19 Ca 0.26 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2f77 h LEU 19 Cb 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2f77 h LEU 19 CO -0.03 0.85 0.45 0.50 0.09 0.00 0.00 178.44 180.30 2f77 h LYS 20 N 0.91 0.86 -0.10 1.13 3.64 -0.31 -0.56 116.57 122.14 2f77 h LYS 20 Ca 0.20 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2f77 h LYS 20 Cb 0.30 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2f77 h LYS 20 CO -0.00 0.57 -0.10 1.79 -2.27 0.00 0.00 179.45 179.44 2f77 h THR 21 N 0.88 1.13 0.00 1.00 1.35 -1.06 -0.26 112.91 115.96 2f77 h THR 21 Ca 0.29 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2f77 h THR 21 Cb 0.02 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2f77 h THR 21 CO -0.11 0.18 0.00 0.03 -0.25 0.00 0.00 175.52 175.37 2f77 h ARG 22 N 0.15 0.00 0.00 4.72 3.08 -0.76 -3.46 114.38 118.11 2f77 h ARG 22 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2f77 h ARG 22 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 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 0.49 0.83 3.21 0.04 0.00 -0.11 -5.11 105.19 104.54 2f77 n GLY 23 Ca 0.03 0.00 -0.30 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 -0.92 1.82 -0.37 1.61 1.01 -0.88 -4.98 120.40 117.69 2f77 s VAL 24 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2f77 s VAL 24 Cb 0.00 -1.55 0.13 0.00 0.00 0.00 0.00 36.38 34.96 2f77 s VAL 24 CO 0.00 0.51 0.19 -0.54 0.00 0.00 0.00 175.10 175.26 2f77 s LYS 25 N 0.01 0.88 0.13 2.72 1.02 -1.26 -4.14 119.74 119.10 2f77 s LYS 25 Ca -0.06 -1.50 0.03 0.00 0.02 0.00 0.00 55.97 54.45 2f77 s LYS 25 Cb -0.14 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2f77 s LYS 25 CO 0.04 -1.12 -0.07 0.14 -0.92 0.00 0.00 175.35 173.42 2f77 s VAL 26 N 0.97 0.89 0.36 3.17 -7.23 -1.26 -5.01 120.40 112.28 2f77 s VAL 26 Ca 0.15 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.07 2f77 s VAL 26 Cb -0.22 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 2f77 s VAL 26 CO -0.08 -0.74 1.09 -0.54 -0.31 0.00 0.00 175.10 174.52 2f77 s LYS 27 N -3.81 4.32 0.27 4.82 1.02 -1.26 -4.93 119.74 120.17 2f77 s LYS 27 Ca 0.16 1.68 -0.03 0.00 0.02 0.00 0.00 55.97 57.80 2f77 s LYS 27 Cb 0.04 -2.80 0.35 0.00 -0.52 0.00 0.00 37.83 34.90 2f77 s LYS 27 CO -0.01 -0.05 1.89 -0.92 -0.92 0.00 0.00 175.35 175.34 2f77 h TYR 28 N 3.01 1.06 -0.63 3.18 3.20 -2.01 -1.56 116.97 123.22 2f77 h TYR 28 Ca -0.48 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.47 2f77 h TYR 28 Cb 1.22 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 2f77 h TYR 28 CO 0.58 0.75 0.42 0.00 -1.64 0.00 0.00 178.16 178.26 2f77 h ALA 29 N 1.37 2.02 -0.72 1.82 0.00 -2.01 0.09 119.26 121.83 2f77 h ALA 29 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2f77 h ALA 29 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2f77 h ALA 29 CO -0.04 -0.17 0.39 -0.44 0.00 0.00 0.00 179.25 178.99 2f77 h ASP 30 N 0.42 0.90 -0.49 0.00 3.32 -1.66 -1.24 116.42 117.66 2f77 h ASP 30 Ca 0.29 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2f77 h ASP 30 Cb 0.58 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2f77 h ASP 30 CO -0.08 0.73 0.27 -0.07 -1.72 0.00 0.00 179.24 178.37 2f77 h LEU 31 N 1.01 0.62 -0.50 1.55 -0.00 -1.00 -0.15 115.31 116.84 2f77 h LEU 31 Ca 0.26 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 58.01 2f77 h LEU 31 Cb 0.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 2f77 h LEU 31 CO -0.04 0.53 0.19 -0.07 -0.00 0.00 0.00 178.44 179.05 2f77 h LEU 32 N 0.65 0.69 -1.11 1.67 3.38 -1.25 -2.38 115.31 116.96 2f77 h LEU 32 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2f77 h LEU 32 Cb 0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2f77 h LEU 32 CO -0.03 0.68 0.31 0.11 0.09 0.00 0.00 178.44 179.60 2f77 h LYS 33 N 0.67 0.93 -0.36 1.13 1.57 -0.91 -2.50 116.57 117.09 2f77 h LYS 33 Ca 0.17 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2f77 h LYS 33 Cb 0.21 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 2f77 h LYS 33 CO -0.01 0.73 0.08 0.35 -0.57 0.00 0.00 179.45 180.02 2f77 h PHE 34 N 0.93 0.13 -0.80 -1.35 3.57 -0.51 0.19 116.94 119.09 2f77 h PHE 34 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2f77 h PHE 34 Cb 0.11 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2f77 h PHE 34 CO 0.01 0.02 0.48 0.74 -2.23 0.00 0.00 178.31 177.33 2f77 h PHE 35 N 0.20 1.06 -0.66 0.41 0.04 -1.22 -1.25 116.94 115.53 2f77 h PHE 35 Ca 0.17 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 2f77 h PHE 35 Cb 0.20 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2f77 h PHE 35 CO -0.19 0.71 0.11 -0.44 -0.60 0.00 0.00 178.31 177.90 2f77 h ASP 36 N 1.10 1.05 -0.65 2.17 3.32 -0.91 -2.07 116.42 120.42 2f77 h ASP 36 Ca 0.29 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2f77 h ASP 36 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2f77 h ASP 36 CO -0.05 1.04 0.34 0.15 -1.72 0.00 0.00 179.24 179.00 2f77 h PHE 37 N 1.01 0.91 -0.36 4.55 3.57 -0.09 -0.49 116.94 126.04 2f77 h PHE 37 Ca 0.20 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2f77 h PHE 37 Cb 0.44 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2f77 h PHE 37 CO 0.03 0.66 0.20 0.28 -2.23 0.00 0.00 178.31 177.25 2f77 h VAL 38 N 0.89 1.13 -0.15 1.41 2.07 -0.92 -1.64 116.25 119.04 2f77 h VAL 38 Ca 0.23 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2f77 h VAL 38 Cb 0.06 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2f77 h VAL 38 CO -0.03 0.14 -0.12 0.11 0.02 0.00 0.00 177.57 177.69 2f77 h LYS 39 N 0.46 0.23 0.00 1.57 1.57 -1.10 -1.02 116.57 118.27 2f77 h LYS 39 Ca 0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2f77 h LYS 39 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2f77 h LYS 39 CO -0.02 0.36 0.00 -0.44 -0.57 0.00 0.00 179.45 178.78 2f77 h ASP 40 N 0.22 0.00 -0.03 0.86 3.32 -0.23 -2.47 116.42 118.09 2f77 h ASP 40 Ca 0.05 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2f77 h ASP 40 Cb 0.35 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2f77 h ASP 40 CO 0.02 0.00 -0.20 0.74 -1.72 0.00 0.00 179.24 178.08 2f77 h THR 41 N 0.00 0.53 0.00 0.35 2.02 -0.30 -2.92 112.91 112.59 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 0.51 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2f77 h THR 41 CO 0.00 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 2f77 h PRO 43 N -0.23 0.07 0.00 0.00 0.11 -1.67 -3.43 132.00 126.85 2f77 h PRO 43 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2f77 h PRO 43 Cb 0.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2f77 h PRO 43 CO 0.00 0.05 0.00 0.91 -0.21 0.00 0.00 178.00 178.75 2f77 n TRP 44 N -5.24 0.00 0.00 0.65 8.01 -1.12 -5.00 117.44 114.75 2f77 n TRP 44 Ca 0.35 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.54 2f77 n TRP 44 Cb 1.17 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.47 2f77 n TRP 44 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2f77 n PHE 45 N 0.00 0.00 -0.17 -5.99 3.72 -1.10 -4.30 117.46 109.63 2f77 n PHE 45 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 2f77 n PHE 45 Cb 0.00 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 38.96 2f77 n PHE 45 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2f77 h PRO 46 N 0.00 0.57 -6.54 -1.08 0.11 -1.99 -3.41 132.00 119.66 2f77 h PRO 46 Ca 0.00 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.55 2f77 h PRO 46 Cb 0.00 -0.13 0.03 0.00 0.11 0.00 0.00 31.00 31.01 2f77 h PRO 46 CO 0.00 0.38 0.93 -0.65 -0.21 0.00 0.00 178.00 178.45 2f77 s GLN 47 N -5.55 4.21 0.19 1.05 -1.52 -1.26 -4.99 119.66 111.79 2f77 s GLN 47 Ca -0.09 2.35 -0.03 0.00 -1.95 0.00 0.00 55.36 55.64 2f77 s GLN 47 Cb 0.20 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 2f77 s GLN 47 CO 0.77 -0.66 0.18 -1.21 -0.25 0.00 0.00 175.29 174.11 2f77 s GLU 48 N 1.76 1.20 0.13 2.91 2.02 -1.26 -4.99 118.70 120.46 2f77 s GLU 48 Ca 0.72 -1.51 -0.25 0.00 0.02 0.00 0.00 54.97 53.94 2f77 s GLU 48 Cb -0.42 0.30 0.07 0.00 0.10 0.00 0.00 34.13 34.18 2f77 s GLU 48 CO 0.32 -0.40 0.85 0.20 0.02 0.00 0.00 175.26 176.25 2f77 s GLY 49 N -3.11 -0.33 0.38 -1.39 0.00 -1.26 -5.14 107.32 96.47 2f77 s GLY 49 Ca 0.33 0.37 -0.27 0.00 0.00 0.00 0.00 44.72 45.15 2f77 s GLY 49 CO 0.09 0.11 1.36 -1.59 0.00 0.00 0.00 173.10 173.07 2f77 s THR 50 N -3.40 2.46 -0.03 0.90 2.01 -1.26 -5.02 115.64 111.30 2f77 s THR 50 Ca 0.08 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.55 2f77 s THR 50 Cb -0.02 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2f77 s THR 50 CO -0.02 0.08 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.36 2f77 s ILE 51 N -1.19 1.01 0.28 1.82 -1.16 -1.26 -5.04 121.20 115.66 2f77 s ILE 51 Ca 0.54 -0.48 -0.29 0.00 -0.51 0.00 0.00 60.65 59.91 2f77 s ILE 51 Cb -0.41 -0.89 -0.10 0.00 0.61 0.00 0.00 42.46 41.67 2f77 s ILE 51 CO 0.54 0.31 1.28 -1.81 -2.81 0.00 0.00 174.94 172.45 2f77 s ASP 52 N 0.19 6.89 0.47 4.50 1.11 -1.26 -4.90 116.67 123.67 2f77 s ASP 52 Ca -0.04 2.54 0.24 0.00 0.18 0.00 0.00 52.55 55.47 2f77 s ASP 52 Cb -0.10 -2.63 1.15 0.00 1.07 0.00 0.00 42.92 42.40 2f77 s ASP 52 CO 0.01 -0.47 1.94 0.40 1.18 0.00 0.00 175.17 178.23 2f77 h ILE 53 N 3.26 0.65 -0.66 0.77 2.04 -1.97 -2.73 117.51 118.86 2f77 h ILE 53 Ca -0.47 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 2f77 h ILE 53 Cb 1.22 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2f77 h ILE 53 CO 0.69 0.19 0.13 0.11 0.00 0.00 0.00 178.15 179.28 2f77 h LYS 54 N 0.00 1.08 0.00 2.37 1.57 -1.90 -2.36 116.57 117.32 2f77 h LYS 54 Ca -0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2f77 h LYS 54 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2f77 h LYS 54 CO 0.03 0.98 0.00 0.35 -0.57 0.00 0.00 179.45 180.24 2f77 h PHE 55 N 1.00 0.00 -0.96 -1.35 3.57 -1.87 -3.17 116.94 114.15 2f77 h PHE 55 Ca 0.20 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.83 2f77 h PHE 55 Cb 0.41 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 2f77 h PHE 55 CO 0.03 0.00 0.61 2.35 -2.23 0.00 0.00 178.31 179.07 2f77 h TRP 56 N 0.00 1.05 -0.73 0.41 7.01 -1.25 -0.25 115.95 122.18 2f77 h TRP 56 Ca 0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2f77 h TRP 56 Cb 0.76 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2f77 h TRP 56 CO 0.00 0.42 0.33 0.00 -2.79 0.00 0.00 178.44 176.40 2f77 h ARG 57 N 0.91 1.07 -0.50 2.65 3.08 -1.65 -1.61 114.38 118.32 2f77 h ARG 57 Ca 0.48 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 2f77 h ARG 57 Cb 0.53 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2f77 h ARG 57 CO -0.24 0.85 -0.09 0.00 -1.07 0.00 0.00 179.97 179.42 2f77 h ARG 58 N 1.03 0.91 -0.48 0.04 3.08 -1.27 -2.54 114.38 115.15 2f77 h ARG 58 Ca 0.25 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2f77 h ARG 58 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2f77 h ARG 58 CO -0.03 0.95 0.19 0.28 -1.07 0.00 0.00 179.97 180.30 2f77 h VAL 59 N 0.82 1.21 -0.16 2.04 2.07 -0.76 0.98 116.25 122.45 2f77 h VAL 59 Ca 0.14 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2f77 h VAL 59 Cb 0.61 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2f77 h VAL 59 CO 0.04 0.25 0.08 1.23 0.02 0.00 0.00 177.57 179.19 2f77 h GLY 60 N 0.64 0.21 1.34 2.17 0.00 -1.12 0.55 103.07 106.85 2f77 h GLY 60 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 2f77 h GLY 60 CO -0.01 0.05 -0.08 -0.55 0.00 0.00 0.00 176.54 175.95 2f77 h ASP 61 N 0.17 0.78 0.02 0.19 3.32 -1.27 0.09 116.42 119.72 2f77 h ASP 61 Ca 0.06 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2f77 h ASP 61 Cb 0.01 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2f77 h ASP 61 CO -0.04 0.89 -0.01 0.00 -1.72 0.00 0.00 179.24 178.36 2f77 h PHE 63 N -0.53 0.87 -1.00 0.00 -1.00 0.13 -2.11 116.94 113.31 2f77 h PHE 63 Ca -0.00 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.79 2f77 h PHE 63 Cb 0.50 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 2f77 h PHE 63 CO 0.09 0.60 0.66 0.37 -1.61 0.00 0.00 178.31 178.42 2f77 h GLN 64 N 0.88 1.28 -0.40 1.51 4.15 -0.97 -0.79 115.11 120.78 2f77 h GLN 64 Ca 0.23 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2f77 h GLN 64 Cb -0.00 -0.29 -0.02 0.00 0.21 0.00 0.00 27.48 27.38 2f77 h GLN 64 CO -0.04 0.85 0.24 0.22 -1.93 0.00 0.00 178.83 178.17 2f77 h ASP 65 N 1.32 0.47 -0.25 -0.69 3.58 -0.69 -1.97 116.42 118.19 2f77 h ASP 65 Ca 0.37 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.72 2f77 h ASP 65 Cb -0.11 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2f77 h ASP 65 CO -0.09 0.38 -0.02 1.88 -2.88 0.00 0.00 179.24 178.50 2f77 h TYR 66 N 0.52 0.61 0.43 0.28 0.05 -0.91 -1.25 116.97 116.71 2f77 h TYR 66 Ca 0.14 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2f77 h TYR 66 Cb -0.01 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 2f77 h TYR 66 CO -0.04 0.61 -0.24 -0.92 -1.05 0.00 0.00 178.16 176.52 2f77 h TYR 67 N 0.55 -0.62 -0.49 4.88 3.20 -0.44 0.41 116.97 124.46 2f77 h TYR 67 Ca 0.11 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 2f77 h TYR 67 Cb 0.39 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2f77 h TYR 67 CO 0.01 -0.37 0.06 -0.97 -1.64 0.00 0.00 178.16 175.25 2f77 h ASN 68 N -0.62 0.73 -0.25 -2.11 -1.24 -1.29 2.57 115.58 113.37 2f77 h ASN 68 Ca -0.05 -0.15 -0.06 0.00 0.71 0.00 0.00 56.30 56.75 2f77 h ASN 68 Cb 0.50 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2f77 h ASN 68 CO 0.07 0.77 -0.08 0.74 -1.29 0.00 0.00 177.43 177.64 2f77 h THR 69 N 0.74 1.29 0.00 -3.57 2.02 -0.83 -3.40 112.91 109.16 2f77 h THR 69 Ca 0.15 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 2f77 h THR 69 Cb 0.37 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2f77 h THR 69 CO 0.01 0.35 -1.26 0.49 0.37 0.00 0.00 175.52 175.48 2f77 n PHE 70 N -4.53 0.00 0.00 3.16 3.72 0.14 -5.08 117.46 114.87 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 0.31 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 2.50 0.91 0.31 1.37 0.00 0.86 -4.84 105.19 106.30 2f77 n GLY 71 Ca -0.15 -1.95 0.20 0.00 0.00 0.00 0.00 46.02 44.11 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 6.75 0.00 0.17 1.61 0.11 -1.79 -3.15 132.00 135.70 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 0.00 -0.28 0.93 -0.21 0.00 0.00 178.00 178.45 2f77 h GLU 73 N 0.00 -0.50 -0.52 1.05 5.08 -1.93 0.47 114.58 118.23 2f77 h GLU 73 Ca -0.00 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2f77 h GLU 73 Cb 0.29 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2f77 h GLU 73 CO 0.00 -0.33 0.15 0.87 -1.00 0.00 0.00 179.01 178.70 2f77 h LYS 74 N -0.52 0.82 -1.77 2.33 1.79 -1.89 -3.40 116.57 113.93 2f77 h LYS 74 Ca 0.02 -0.18 -0.30 0.00 -2.18 0.00 0.00 60.65 58.01 2f77 h LYS 74 Cb 0.52 -0.11 -0.29 0.00 -1.58 0.00 0.00 32.23 30.77 2f77 h LYS 74 CO -0.13 0.76 -0.63 0.14 -1.08 0.00 0.00 179.45 178.52 2f77 s VAL 75 N -5.37 -0.47 0.94 0.50 -7.23 -0.96 -4.95 120.40 102.86 2f77 s VAL 75 Ca -0.13 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.16 2f77 s VAL 75 Cb 0.12 -0.59 0.21 0.00 0.56 0.00 0.00 36.38 36.68 2f77 s VAL 75 CO 0.79 -0.46 1.28 -2.16 -0.31 0.00 0.00 175.10 174.25 2f77 s PRO 76 N 1.62 0.59 0.62 4.82 0.04 0.16 -4.48 135.00 138.37 2f77 s PRO 76 Ca 0.16 -0.70 0.32 0.00 0.04 0.00 0.00 61.00 60.82 2f77 s PRO 76 Cb -0.13 -1.94 1.81 0.00 0.04 0.00 0.00 34.50 34.28 2f77 s PRO 76 CO -0.07 -2.38 2.12 -0.24 0.04 0.00 0.00 177.00 176.46 2f77 h VAL 77 N -1.52 0.27 -0.47 -0.36 3.04 -1.99 -0.05 116.25 115.17 2f77 h VAL 77 Ca -0.42 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 2f77 h VAL 77 Cb 1.22 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 2f77 h VAL 77 CO 0.32 0.00 0.26 0.71 -1.01 0.00 0.00 177.57 177.86 2f77 h THR 78 N 0.00 1.14 -0.98 3.17 1.35 -1.95 -1.77 112.91 113.88 2f77 h THR 78 Ca 0.05 -0.35 0.10 0.00 -0.55 0.00 0.00 66.41 65.66 2f77 h THR 78 Cb 0.44 0.50 -0.08 0.00 -1.73 0.00 0.00 68.15 67.28 2f77 h THR 78 CO -0.00 0.16 0.62 0.00 -0.25 0.00 0.00 175.52 176.04 2f77 h ALA 79 N 1.64 1.42 -0.30 6.62 0.00 -1.33 -0.63 119.26 126.68 2f77 h ALA 79 Ca 0.17 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2f77 h ALA 79 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2f77 h ALA 79 CO -0.03 0.29 -0.42 0.74 0.00 0.00 0.00 179.25 179.83 2f77 h PHE 80 N 1.03 0.88 -0.31 0.00 -1.00 -1.47 -2.48 116.94 113.59 2f77 h PHE 80 Ca 0.46 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.98 2f77 h PHE 80 Cb 0.36 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 2f77 h PHE 80 CO -0.01 1.03 0.20 1.03 -1.61 0.00 0.00 178.31 178.95 2f77 h SER 81 N 0.60 0.35 -0.88 2.17 0.87 -0.86 0.10 113.55 115.90 2f77 h SER 81 Ca 0.05 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2f77 h SER 81 Cb 0.97 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 2f77 h SER 81 CO 0.09 0.25 0.46 1.88 -0.53 0.00 0.00 176.83 178.98 2f77 h TYR 82 N 0.41 1.23 -0.39 2.24 0.05 -1.23 -2.16 116.97 117.12 2f77 h TYR 82 Ca 0.11 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 2f77 h TYR 82 Cb -0.04 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.29 2f77 h TYR 82 CO -0.06 0.86 -0.10 2.35 -1.05 0.00 0.00 178.16 180.16 2f77 h TRP 83 N 1.23 0.73 -0.86 4.88 2.91 -0.92 -2.57 115.95 121.36 2f77 h TRP 83 Ca 0.31 -0.12 0.04 0.00 1.13 0.00 0.00 58.89 60.25 2f77 h TRP 83 Cb 0.06 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 28.46 2f77 h TRP 83 CO 0.01 0.75 0.54 -0.91 -1.03 0.00 0.00 178.44 177.81 2f77 h ASN 84 N 0.62 0.88 -0.56 2.65 -0.26 -0.17 -0.88 115.58 117.86 2f77 h ASN 84 Ca 0.11 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.79 2f77 h ASN 84 Cb 0.54 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 2f77 h ASN 84 CO 0.03 0.59 0.11 -0.07 -1.06 0.00 0.00 177.43 177.04 2f77 h LEU 85 N 1.03 0.90 -0.62 1.61 3.38 -1.19 -2.67 115.31 117.75 2f77 h LEU 85 Ca 0.36 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2f77 h LEU 85 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2f77 h LEU 85 CO -0.14 0.90 0.29 0.40 0.09 0.00 0.00 178.44 179.97 2f77 h ILE 86 N 0.90 1.22 -0.71 1.22 1.08 -0.88 -1.31 117.51 119.03 2f77 h ILE 86 Ca 0.19 -0.63 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 2f77 h ILE 86 Cb 0.37 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2f77 h ILE 86 CO 0.01 0.26 0.43 0.11 -0.69 0.00 0.00 178.15 178.26 2f77 h LYS 87 N 0.85 0.78 -0.37 2.37 1.57 -0.91 -0.33 116.57 120.55 2f77 h LYS 87 Ca 0.21 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 2f77 h LYS 87 Cb 0.14 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2f77 h LYS 87 CO -0.02 0.52 -0.20 0.93 -0.57 0.00 0.00 179.45 180.11 2f77 h GLU 88 N 0.81 0.70 0.15 3.15 5.08 -1.17 0.42 114.58 123.71 2f77 h GLU 88 Ca 0.30 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2f77 h GLU 88 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2f77 h GLU 88 CO -0.15 0.84 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.57 2f77 h LEU 89 N 0.62 -0.17 -0.25 1.33 4.07 -0.20 0.15 115.31 120.85 2f77 h LEU 89 Ca 0.09 -0.19 -0.17 0.00 0.08 0.00 0.00 57.88 57.70 2f77 h LEU 89 Cb 0.67 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2f77 h LEU 89 CO 0.05 0.09 -0.50 0.16 -1.08 0.00 0.00 178.44 177.16 2f77 h ILE 90 N -0.44 1.29 0.16 1.22 3.07 -1.05 -0.25 117.51 121.50 2f77 h ILE 90 Ca -0.02 -1.70 -0.01 0.00 1.55 0.00 0.00 64.86 64.68 2f77 h ILE 90 Cb 0.35 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2f77 h ILE 90 CO 0.03 0.55 -0.08 0.44 -1.05 0.00 0.00 178.15 178.04 2f77 h ASP 91 N 0.54 -0.18 -0.60 2.16 3.32 -0.14 -2.92 116.42 118.60 2f77 h ASP 91 Ca 0.01 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2f77 h ASP 91 Cb 1.11 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2f77 h ASP 91 CO 0.11 -0.07 0.04 0.11 -1.72 0.00 0.00 179.24 177.72 2f77 h LYS 92 N -0.28 1.03 -6.74 3.56 1.57 -0.73 -3.42 116.57 111.56 2f77 h LYS 92 Ca -0.02 -0.31 -0.50 0.00 -1.87 0.00 0.00 60.65 57.95 2f77 h LYS 92 Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2f77 h LYS 92 CO 0.04 0.99 0.42 0.15 -0.57 0.00 0.00 179.45 180.48 2f77 s LYS 93 N -5.10 4.72 -0.79 3.15 1.02 -0.11 -4.98 119.74 117.65 2f77 s LYS 93 Ca -0.12 1.64 -0.18 0.00 0.02 0.00 0.00 55.97 57.33 2f77 s LYS 93 Cb 0.13 -3.26 0.13 0.00 -0.52 0.00 0.00 37.83 34.32 2f77 s LYS 93 CO 0.84 0.30 0.93 -1.21 -0.92 0.00 0.00 175.35 175.30 2f77 s GLU 94 N -1.02 3.39 0.00 1.68 0.41 -1.26 -4.76 118.70 117.14 2f77 s GLU 94 Ca 0.44 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.34 2f77 s GLU 94 Cb -0.29 -4.57 0.00 0.00 -1.78 0.00 0.00 34.13 27.49 2f77 s GLU 94 CO 0.36 -1.63 0.00 1.55 -0.49 0.00 0.00 175.26 175.05 2f77 n VAL 95 N 5.27 0.00 -3.78 2.63 3.14 -1.26 -5.09 118.33 119.24 2f77 n VAL 95 Ca 0.10 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.20 2f77 n VAL 95 Cb 0.46 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.13 2f77 n VAL 95 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2f77 s ASN 96 N 1.00 3.99 -0.04 6.55 3.84 -1.26 -4.92 114.94 124.10 2f77 s ASN 96 Ca 0.00 -3.53 -0.14 0.00 0.21 0.00 0.00 52.86 49.41 2f77 s ASN 96 Cb 0.00 -1.34 -0.31 0.00 -0.55 0.00 0.00 41.25 39.05 2f77 s ASN 96 CO 0.00 -0.13 0.74 1.55 -2.79 0.00 0.00 177.10 176.47 2f77 h PRO 97 N 5.64 0.40 -6.35 0.43 0.13 -1.93 -3.47 132.00 126.85 2f77 h PRO 97 Ca 0.14 -0.69 -0.48 0.00 -0.87 0.00 0.00 66.00 64.11 2f77 h PRO 97 Cb 0.81 0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2f77 h PRO 97 CO 0.62 1.33 -0.26 -0.65 -0.23 0.00 0.00 178.00 178.81 2f77 s GLN 98 N -2.56 2.56 -1.29 0.86 -0.21 -1.26 -4.16 119.66 113.60 2f77 s GLN 98 Ca -0.15 -1.51 -0.18 0.00 0.02 0.00 0.00 55.36 53.54 2f77 s GLN 98 Cb 0.05 -2.55 0.04 0.00 1.00 0.00 0.00 33.01 31.55 2f77 s GLN 98 CO 0.86 -0.42 1.82 0.28 -2.12 0.00 0.00 175.29 175.71 2f77 n VAL 99 N -1.84 3.58 -1.60 1.09 0.31 -1.26 -5.13 118.33 113.48 2f77 n VAL 99 Ca 0.07 -3.66 0.00 0.00 -0.01 0.00 0.00 64.34 60.74 2f77 n VAL 99 Cb 0.61 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2f77 n VAL 99 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31