#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 0.76 3.29 3.03 0.00 -1.26 -5.02 105.19 105.99 2f77 n GLY 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.25 1.18 0.40 1.61 -1.52 -1.26 -5.11 119.66 114.71 2f77 s GLN 3 Ca 0.00 -1.51 -0.26 0.00 -1.95 0.00 0.00 55.36 51.64 2f77 s GLN 3 Cb 0.00 -0.86 -0.11 0.00 -0.22 0.00 0.00 33.01 31.83 2f77 s GLN 3 CO 0.00 0.13 1.28 0.39 -0.25 0.00 0.00 175.29 176.84 2f77 n GLU 4 N -0.26 2.00 -3.26 2.91 1.02 -1.26 -4.93 120.64 116.85 2f77 n GLU 4 Ca -0.09 0.71 -0.44 0.00 -0.02 0.00 0.00 57.16 57.31 2f77 n GLU 4 Cb 0.60 -2.37 -0.07 0.00 -0.02 0.00 0.00 31.44 29.59 2f77 n GLU 4 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2f77 s LEU 5 N -1.48 5.27 0.79 -4.62 1.43 -1.26 -5.02 118.68 113.79 2f77 s LEU 5 Ca 0.59 -1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 2f77 s LEU 5 Cb -0.52 -2.32 0.10 0.00 0.03 0.00 0.00 46.19 43.47 2f77 s LEU 5 CO 0.59 -0.78 1.12 -0.94 0.23 0.00 0.00 176.35 176.58 2f77 s SER 6 N 2.65 4.32 0.17 2.29 1.04 -1.26 -4.76 113.70 118.14 2f77 s SER 6 Ca 0.10 0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 2f77 s SER 6 Cb -0.22 -0.87 0.12 0.00 0.10 0.00 0.00 66.02 65.15 2f77 s SER 6 CO 0.09 -1.95 1.76 1.56 0.98 0.00 0.00 173.24 175.69 2f77 h GLN 7 N -0.94 0.38 -0.35 4.02 4.20 -1.99 0.13 115.11 120.55 2f77 h GLN 7 Ca -0.44 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.18 2f77 h GLN 7 Cb 1.30 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2f77 h GLN 7 CO 0.55 0.25 -0.03 0.45 -0.67 0.00 0.00 178.83 179.38 2f77 h HIS 8 N 0.39 0.71 -0.87 2.96 3.86 -2.00 -2.46 115.15 117.73 2f77 h HIS 8 Ca 0.21 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2f77 h HIS 8 Cb 0.17 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 2f77 h HIS 8 CO -0.13 0.76 0.57 0.93 0.86 0.00 0.00 177.93 180.92 2f77 h GLU 9 N 0.45 1.16 -0.66 2.45 5.08 -1.77 -1.50 114.58 119.79 2f77 h GLU 9 Ca 0.10 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2f77 h GLU 9 Cb 0.50 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2f77 h GLU 9 CO 0.02 0.78 0.21 0.00 -1.00 0.00 0.00 179.01 179.02 2f77 h ARG 10 N 1.19 1.01 -0.98 2.33 3.08 -0.55 -2.46 114.38 118.00 2f77 h ARG 10 Ca 0.32 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2f77 h ARG 10 Cb -0.12 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.73 2f77 h ARG 10 CO -0.07 0.86 0.64 -0.92 -1.07 0.00 0.00 179.97 179.41 2f77 h TYR 11 N 0.97 1.24 -0.44 3.04 3.20 -0.81 -2.21 116.97 121.97 2f77 h TYR 11 Ca 0.22 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2f77 h TYR 11 Cb 0.27 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2f77 h TYR 11 CO 0.02 0.79 0.15 0.28 -1.64 0.00 0.00 178.16 177.76 2f77 h VAL 12 N 1.33 1.21 -0.87 1.81 2.07 -1.09 -1.47 116.25 119.24 2f77 h VAL 12 Ca 0.36 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2f77 h VAL 12 Cb -0.14 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2f77 h VAL 12 CO -0.08 0.25 0.53 -0.08 0.02 0.00 0.00 177.57 178.21 2f77 h GLU 13 N 0.56 0.89 -0.39 1.57 4.81 -1.07 0.30 114.58 121.27 2f77 h GLU 13 Ca 0.14 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2f77 h GLU 13 Cb 0.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2f77 h GLU 13 CO -0.01 0.59 -0.12 0.37 -0.73 0.00 0.00 179.01 179.12 2f77 h GLN 14 N 0.92 0.68 -0.70 1.92 4.15 -1.00 -2.57 115.11 118.52 2f77 h GLN 14 Ca 0.40 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 2f77 h GLN 14 Cb 0.28 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2f77 h GLN 14 CO -0.21 0.78 0.26 1.25 -1.93 0.00 0.00 178.83 178.98 2f77 h LEU 15 N 0.62 0.98 -0.76 -2.39 5.85 0.06 -2.56 115.31 117.11 2f77 h LEU 15 Ca 0.11 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2f77 h LEU 15 Cb 0.56 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2f77 h LEU 15 CO 0.04 0.90 0.35 0.50 -0.34 0.00 0.00 178.44 179.88 2f77 h LYS 16 N 1.01 1.12 -0.54 1.25 3.64 -0.87 -0.40 116.57 121.78 2f77 h LYS 16 Ca 0.23 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2f77 h LYS 16 Cb 0.24 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2f77 h LYS 16 CO -0.02 0.88 0.29 1.96 -2.27 0.00 0.00 179.45 180.30 2f77 h GLN 17 N 1.09 0.55 -0.49 1.90 1.08 -1.08 0.37 115.11 118.52 2f77 h GLN 17 Ca 0.26 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2f77 h GLN 17 Cb 0.15 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2f77 h GLN 17 CO -0.03 0.36 -0.13 0.00 -0.95 0.00 0.00 178.83 178.08 2f77 h ALA 18 N 1.28 0.68 -0.67 3.87 0.00 -1.13 -2.63 119.26 120.66 2f77 h ALA 18 Ca 0.24 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2f77 h ALA 18 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2f77 h ALA 18 CO -0.15 0.60 0.20 -0.07 0.00 0.00 0.00 179.25 179.84 2f77 h LEU 19 N 0.81 0.96 -1.42 0.00 3.38 -0.32 -2.09 115.31 116.63 2f77 h LEU 19 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2f77 h LEU 19 Cb 0.69 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2f77 h LEU 19 CO 0.05 0.90 0.34 0.50 0.09 0.00 0.00 178.44 180.31 2f77 h LYS 20 N 0.99 0.73 -0.59 1.13 3.64 -0.04 -1.56 116.57 120.86 2f77 h LYS 20 Ca 0.22 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2f77 h LYS 20 Cb 0.29 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2f77 h LYS 20 CO -0.01 0.50 -0.01 1.15 -2.27 0.00 0.00 179.45 178.82 2f77 h THR 21 N 0.74 1.26 0.00 1.00 2.02 -1.03 -2.05 112.91 114.85 2f77 h THR 21 Ca 0.20 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2f77 h THR 21 Cb -0.04 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2f77 h THR 21 CO -0.04 0.42 0.00 0.03 0.37 0.00 0.00 175.52 176.30 2f77 h ARG 22 N 0.95 0.00 0.00 6.66 3.08 -0.97 -3.45 114.38 120.64 2f77 h ARG 22 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2f77 h ARG 22 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2f77 h ARG 22 CO 0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2f77 n GLY 23 N -0.15 0.88 3.15 0.04 0.00 -0.77 -5.12 105.19 103.22 2f77 n GLY 23 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.24 1.74 -0.31 1.61 1.01 -0.80 -4.97 120.40 118.45 2f77 s VAL 24 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2f77 s VAL 24 Cb 0.00 -1.53 0.09 0.00 0.00 0.00 0.00 36.38 34.94 2f77 s VAL 24 CO 0.00 0.49 0.06 -0.54 0.00 0.00 0.00 175.10 175.11 2f77 s LYS 25 N 0.47 1.12 0.13 2.72 -0.14 -1.26 -4.06 119.74 118.72 2f77 s LYS 25 Ca -0.17 -1.34 0.01 0.00 -1.36 0.00 0.00 55.97 53.12 2f77 s LYS 25 Cb -0.17 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 2f77 s LYS 25 CO 0.07 -0.90 -0.02 0.14 -0.76 0.00 0.00 175.35 173.87 2f77 s VAL 26 N 1.33 0.63 0.37 3.17 -7.23 -1.26 -5.08 120.40 112.33 2f77 s VAL 26 Ca 0.08 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.04 2f77 s VAL 26 Cb -0.18 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.75 2f77 s VAL 26 CO -0.16 -0.66 1.03 -0.54 -0.31 0.00 0.00 175.10 174.46 2f77 s LYS 27 N -3.89 4.31 0.27 4.82 1.02 -1.26 -4.93 119.74 120.08 2f77 s LYS 27 Ca 0.18 1.49 -0.04 0.00 0.02 0.00 0.00 55.97 57.62 2f77 s LYS 27 Cb 0.06 -2.66 0.34 0.00 -0.52 0.00 0.00 37.83 35.04 2f77 s LYS 27 CO -0.00 -0.00 1.94 -0.92 -0.92 0.00 0.00 175.35 175.45 2f77 h TYR 28 N 2.78 1.18 -0.38 3.18 3.20 -2.02 -1.20 116.97 123.71 2f77 h TYR 28 Ca -0.48 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.47 2f77 h TYR 28 Cb 1.21 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 2f77 h TYR 28 CO 0.59 0.74 0.26 0.00 -1.64 0.00 0.00 178.16 178.11 2f77 h ALA 29 N 1.42 1.96 -0.97 1.82 0.00 -1.96 -1.00 119.26 120.52 2f77 h ALA 29 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2f77 h ALA 29 Cb -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2f77 h ALA 29 CO -0.08 -0.02 0.64 -0.44 0.00 0.00 0.00 179.25 179.36 2f77 h ASP 30 N 0.32 1.12 -0.51 0.00 3.32 -1.59 -0.59 116.42 118.48 2f77 h ASP 30 Ca 0.16 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2f77 h ASP 30 Cb 0.25 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2f77 h ASP 30 CO -0.04 0.81 0.22 -0.07 -1.72 0.00 0.00 179.24 178.44 2f77 h LEU 31 N 1.32 0.70 -0.67 1.55 -0.00 -1.20 -0.40 115.31 116.60 2f77 h LEU 31 Ca 0.36 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 58.03 2f77 h LEU 31 Cb -0.15 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.30 2f77 h LEU 31 CO -0.08 0.66 0.25 -0.07 -0.00 0.00 0.00 178.44 179.21 2f77 h LEU 32 N 0.68 0.94 -0.86 1.67 3.38 -1.25 -2.44 115.31 117.44 2f77 h LEU 32 Ca 0.17 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2f77 h LEU 32 Cb 0.18 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2f77 h LEU 32 CO -0.02 0.87 0.14 0.11 0.09 0.00 0.00 178.44 179.63 2f77 h LYS 33 N 0.96 0.99 -0.19 1.13 1.57 -0.79 -1.27 116.57 118.98 2f77 h LYS 33 Ca 0.22 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2f77 h LYS 33 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2f77 h LYS 33 CO -0.01 0.89 0.04 0.35 -0.57 0.00 0.00 179.45 180.14 2f77 h PHE 34 N 0.94 0.07 -0.32 -1.35 3.57 -0.62 0.24 116.94 119.47 2f77 h PHE 34 Ca 0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2f77 h PHE 34 Cb 0.35 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2f77 h PHE 34 CO 0.02 0.02 0.10 0.74 -2.23 0.00 0.00 178.31 176.97 2f77 h PHE 35 N 0.12 0.51 -0.72 0.41 -1.00 -1.24 -0.38 116.94 114.63 2f77 h PHE 35 Ca 0.08 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.84 2f77 h PHE 35 Cb 0.08 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 39.44 2f77 h PHE 35 CO -0.14 0.52 0.45 -0.44 -1.61 0.00 0.00 178.31 177.09 2f77 h ASP 36 N 0.35 0.74 -0.39 2.17 3.32 -0.80 -0.01 116.42 121.81 2f77 h ASP 36 Ca 0.10 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 2f77 h ASP 36 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2f77 h ASP 36 CO -0.00 0.51 -0.01 0.15 -1.72 0.00 0.00 179.24 178.16 2f77 h PHE 37 N 0.88 0.77 -0.40 4.55 3.57 -0.28 0.24 116.94 126.26 2f77 h PHE 37 Ca 0.29 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2f77 h PHE 37 Cb 0.03 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2f77 h PHE 37 CO -0.04 0.79 0.26 0.28 -2.23 0.00 0.00 178.31 177.37 2f77 h VAL 38 N 0.53 1.12 -0.17 1.41 2.07 -0.50 -1.39 116.25 119.31 2f77 h VAL 38 Ca 0.11 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 2f77 h VAL 38 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2f77 h VAL 38 CO 0.02 0.12 -0.25 0.50 0.02 0.00 0.00 177.57 177.98 2f77 h LYS 39 N 0.54 0.31 0.00 1.57 3.64 -0.88 -1.91 116.57 119.84 2f77 h LYS 39 Ca 0.15 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2f77 h LYS 39 Cb -0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2f77 h LYS 39 CO -0.03 0.54 0.00 -0.44 -2.27 0.00 0.00 179.45 177.25 2f77 h ASP 40 N 0.28 0.00 0.36 4.20 3.32 -0.10 -2.71 116.42 121.76 2f77 h ASP 40 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2f77 h ASP 40 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2f77 h ASP 40 CO 0.04 0.00 -0.45 0.74 -1.72 0.00 0.00 179.24 177.85 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 -0.43 -3.09 112.91 111.75 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 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2f77 h THR 41 CO 0.00 0.00 -0.68 0.00 0.37 0.00 0.00 175.52 175.21 2f77 h PRO 43 N -0.68 -0.02 0.00 0.00 0.11 -1.70 -3.44 132.00 126.27 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 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2f77 h PRO 43 CO 0.00 -0.01 0.00 0.91 -0.21 0.00 0.00 178.00 178.69 2f77 n TRP 44 N -5.53 0.00 0.00 0.65 8.01 -1.12 -5.01 117.44 114.43 2f77 n TRP 44 Ca 0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 2f77 n TRP 44 Cb 0.43 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 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 0.00 0.01 -5.99 -0.00 -1.17 -4.29 117.46 106.02 2f77 n PHE 45 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 2f77 n PHE 45 Cb 0.00 0.00 0.59 0.00 -0.00 0.00 0.00 39.48 40.07 2f77 n PHE 45 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2f77 h PRO 46 N 0.00 0.19 -6.43 -7.13 0.11 -1.98 -3.41 132.00 113.35 2f77 h PRO 46 Ca 0.00 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.56 2f77 h PRO 46 Cb 0.00 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 31.08 2f77 h PRO 46 CO 0.00 0.13 0.96 -0.65 -0.21 0.00 0.00 178.00 178.23 2f77 s GLN 47 N -5.20 4.22 0.14 1.05 -0.21 -1.26 -5.00 119.66 113.39 2f77 s GLN 47 Ca -0.06 2.25 0.04 0.00 0.02 0.00 0.00 55.36 57.61 2f77 s GLN 47 Cb 0.19 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 2f77 s GLN 47 CO 0.73 -0.70 -0.10 -1.21 -2.12 0.00 0.00 175.29 171.89 2f77 s GLU 48 N 2.61 1.01 0.08 2.91 2.02 -1.26 -5.02 118.70 121.04 2f77 s GLU 48 Ca 0.72 -1.41 -0.26 0.00 0.02 0.00 0.00 54.97 54.04 2f77 s GLU 48 Cb -0.38 -0.57 0.07 0.00 0.10 0.00 0.00 34.13 33.35 2f77 s GLU 48 CO 0.31 0.07 0.65 0.20 0.02 0.00 0.00 175.26 176.50 2f77 s GLY 49 N -3.08 -0.59 0.42 -1.39 0.00 -1.26 -5.14 107.32 96.28 2f77 s GLY 49 Ca 0.15 0.82 -0.26 0.00 0.00 0.00 0.00 44.72 45.43 2f77 s GLY 49 CO -0.00 0.45 1.34 -1.59 0.00 0.00 0.00 173.10 173.30 2f77 s THR 50 N -2.81 2.44 -0.05 0.90 2.01 -1.26 -5.01 115.64 111.86 2f77 s THR 50 Ca -0.03 0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.40 2f77 s THR 50 Cb -0.01 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2f77 s THR 50 CO -0.05 0.06 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.27 2f77 s ILE 51 N -1.25 1.35 0.20 1.82 -1.16 -1.26 -5.07 121.20 115.84 2f77 s ILE 51 Ca 0.58 -0.65 -0.30 0.00 -0.51 0.00 0.00 60.65 59.78 2f77 s ILE 51 Cb -0.40 -1.18 -0.08 0.00 0.61 0.00 0.00 42.46 41.41 2f77 s ILE 51 CO 0.51 0.40 1.21 -1.81 -2.81 0.00 0.00 174.94 172.44 2f77 s ASP 52 N 0.26 7.06 0.55 4.50 1.01 -1.26 -4.89 116.67 123.89 2f77 s ASP 52 Ca -0.08 2.28 0.32 0.00 0.71 0.00 0.00 52.55 55.78 2f77 s ASP 52 Cb -0.13 -2.61 1.56 0.00 1.01 0.00 0.00 42.92 42.75 2f77 s ASP 52 CO 0.03 -0.38 2.09 0.40 0.21 0.00 0.00 175.17 177.51 2f77 h ILE 53 N 3.66 0.33 -0.65 0.77 2.04 -1.99 -2.46 117.51 119.21 2f77 h ILE 53 Ca -0.45 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 2f77 h ILE 53 Cb 1.21 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2f77 h ILE 53 CO 0.74 0.08 0.18 0.11 0.00 0.00 0.00 178.15 179.26 2f77 h LYS 54 N 0.00 1.03 0.00 2.37 1.57 -1.99 -2.41 116.57 117.14 2f77 h LYS 54 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2f77 h LYS 54 Cb 0.35 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2f77 h LYS 54 CO 0.01 0.91 -0.13 0.35 -0.57 0.00 0.00 179.45 180.02 2f77 h PHE 55 N 0.96 0.00 -0.79 -1.35 3.57 -1.85 -3.26 116.94 114.22 2f77 h PHE 55 Ca 0.21 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2f77 h PHE 55 Cb 0.33 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 2f77 h PHE 55 CO 0.02 0.00 0.52 2.35 -2.23 0.00 0.00 178.31 178.97 2f77 h TRP 56 N 0.00 0.92 -0.67 0.41 7.01 -1.04 -1.51 115.95 121.06 2f77 h TRP 56 Ca 0.00 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.04 2f77 h TRP 56 Cb 0.87 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 2f77 h TRP 56 CO 0.00 0.52 0.43 0.00 -2.79 0.00 0.00 178.44 176.60 2f77 h ARG 57 N 0.94 0.83 -0.39 2.65 2.47 -1.60 -0.96 114.38 118.32 2f77 h ARG 57 Ca 0.32 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.89 2f77 h ARG 57 Cb 0.10 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 2f77 h ARG 57 CO -0.10 0.55 -0.17 0.00 0.56 0.00 0.00 179.97 180.81 2f77 h ARG 58 N 0.86 0.74 -0.53 0.04 3.08 -1.50 -2.71 114.38 114.36 2f77 h ARG 58 Ca 0.26 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2f77 h ARG 58 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2f77 h ARG 58 CO -0.09 0.87 0.19 0.28 -1.07 0.00 0.00 179.97 180.15 2f77 h VAL 59 N 0.66 1.23 -0.27 2.04 2.07 -0.55 0.19 116.25 121.61 2f77 h VAL 59 Ca 0.10 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2f77 h VAL 59 Cb 0.66 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2f77 h VAL 59 CO 0.05 0.27 0.17 1.23 0.02 0.00 0.00 177.57 179.31 2f77 h GLY 60 N 0.72 0.38 1.09 2.17 0.00 -1.03 0.39 103.07 106.80 2f77 h GLY 60 Ca 0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 2f77 h GLY 60 CO -0.01 0.12 -0.19 -0.55 0.00 0.00 0.00 176.54 175.91 2f77 h ASP 61 N 0.34 1.00 0.02 0.19 3.32 -1.25 -1.17 116.42 118.88 2f77 h ASP 61 Ca 0.10 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2f77 h ASP 61 Cb -0.01 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.26 2f77 h ASP 61 CO -0.04 1.17 -0.01 0.00 -1.72 0.00 0.00 179.24 178.63 2f77 h PHE 63 N -0.32 0.86 -0.30 0.00 -1.00 -0.21 -1.23 116.94 114.74 2f77 h PHE 63 Ca -0.00 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2f77 h PHE 63 Cb 0.30 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 2f77 h PHE 63 CO 0.02 0.53 0.09 0.37 -1.61 0.00 0.00 178.31 177.72 2f77 h GLN 64 N 0.92 0.43 -0.48 1.51 4.15 -1.10 -0.83 115.11 119.72 2f77 h GLN 64 Ca 0.26 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 2f77 h GLN 64 Cb -0.09 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2f77 h GLN 64 CO -0.06 0.39 0.08 0.22 -1.93 0.00 0.00 178.83 177.52 2f77 h ASP 65 N 0.43 0.76 0.06 -0.69 3.58 -0.03 -2.35 116.42 118.17 2f77 h ASP 65 Ca 0.10 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.16 2f77 h ASP 65 Cb 0.14 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2f77 h ASP 65 CO -0.01 0.82 -0.45 1.88 -2.88 0.00 0.00 179.24 178.61 2f77 h TYR 66 N 0.66 0.56 0.49 0.28 0.05 -0.83 -1.09 116.97 117.09 2f77 h TYR 66 Ca 0.15 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2f77 h TYR 66 Cb 0.38 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2f77 h TYR 66 CO 0.03 0.83 -0.23 -0.92 -1.05 0.00 0.00 178.16 176.82 2f77 h TYR 67 N 0.38 -0.61 -0.39 4.88 3.20 -0.92 0.20 116.97 123.73 2f77 h TYR 67 Ca 0.03 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2f77 h TYR 67 Cb 0.93 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2f77 h TYR 67 CO 0.03 -0.37 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.13 2f77 h ASN 68 N -0.67 0.69 -0.21 -2.11 -0.26 -1.43 2.06 115.58 113.66 2f77 h ASN 68 Ca -0.07 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 2f77 h ASN 68 Cb 0.51 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2f77 h ASN 68 CO 0.11 0.85 0.05 0.74 -1.06 0.00 0.00 177.43 178.12 2f77 h THR 69 N 0.63 1.21 0.00 2.81 2.02 -0.93 -3.39 112.91 115.25 2f77 h THR 69 Ca 0.10 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.49 2f77 h THR 69 Cb 0.60 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2f77 h THR 69 CO 0.04 0.21 -1.25 0.49 0.37 0.00 0.00 175.52 175.38 2f77 n PHE 70 N -4.76 0.00 -0.16 3.16 3.72 0.69 -5.08 117.46 115.03 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 0.17 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 2.46 0.91 0.11 1.37 0.00 0.69 -4.85 105.19 105.89 2f77 n GLY 71 Ca -0.16 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 0.02 1.61 -0.04 -1.26 -3.48 135.00 132.05 2f77 n PRO 72 Ca 0.00 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2f77 n PRO 72 Cb 0.00 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 31.57 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 0.03 -0.20 0.54 4.39 -1.93 0.20 114.58 117.61 2f77 h GLU 73 Ca 0.00 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2f77 h GLU 73 Cb 0.48 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2f77 h GLU 73 CO 0.00 0.09 -0.05 0.87 -1.16 0.00 0.00 179.01 178.76 2f77 h LYS 74 N -0.04 0.38 -2.00 2.33 1.79 -1.90 -3.40 116.57 113.72 2f77 h LYS 74 Ca 0.01 -0.15 -0.39 0.00 -2.18 0.00 0.00 60.65 57.93 2f77 h LYS 74 Cb 0.07 -0.02 -0.32 0.00 -1.58 0.00 0.00 32.23 30.39 2f77 h LYS 74 CO -0.00 0.64 -0.71 0.14 -1.08 0.00 0.00 179.45 178.44 2f77 s VAL 75 N -4.73 -0.27 0.02 0.50 -7.23 -1.15 -4.99 120.40 102.56 2f77 s VAL 75 Ca -0.14 -1.15 -0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2f77 s VAL 75 Cb 0.06 -0.71 0.01 0.00 0.56 0.00 0.00 36.38 36.29 2f77 s VAL 75 CO 0.74 -0.64 0.03 -0.81 -0.31 0.00 0.00 175.10 174.11 2f77 n PRO 76 N 4.09 -0.02 0.26 4.82 -0.04 0.69 -4.56 135.00 140.24 2f77 n PRO 76 Ca 0.13 -0.05 0.17 0.00 -0.04 0.00 0.00 63.50 63.71 2f77 n PRO 76 Cb 0.45 -0.03 0.83 0.00 -0.04 0.00 0.00 33.50 34.70 2f77 n PRO 76 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2f77 h VAL 77 N -1.01 0.00 -0.22 0.52 -1.51 -1.99 -2.28 116.25 109.76 2f77 h VAL 77 Ca -0.01 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 65.30 2f77 h VAL 77 Cb 0.03 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2f77 h VAL 77 CO 0.01 0.00 0.15 0.71 -1.23 0.00 0.00 177.57 177.21 2f77 h THR 78 N 0.00 0.95 -0.63 7.19 1.35 -1.95 -1.33 112.91 118.49 2f77 h THR 78 Ca 0.00 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2f77 h THR 78 Cb 0.22 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 2f77 h THR 78 CO 0.00 0.02 0.39 0.00 -0.25 0.00 0.00 175.52 175.68 2f77 h ALA 79 N 1.88 0.80 -0.68 6.62 0.00 -1.75 -1.09 119.26 125.05 2f77 h ALA 79 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2f77 h ALA 79 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2f77 h ALA 79 CO -0.01 0.26 0.13 0.74 0.00 0.00 0.00 179.25 180.37 2f77 h PHE 80 N 0.85 1.16 -0.36 0.00 -1.00 -1.44 0.04 116.94 116.20 2f77 h PHE 80 Ca 0.23 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 2f77 h PHE 80 Cb -0.05 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.17 2f77 h PHE 80 CO -0.02 0.96 0.19 0.77 -1.61 0.00 0.00 178.31 178.60 2f77 h SER 81 N 1.04 0.45 -0.45 2.17 0.02 -1.13 0.18 113.55 115.83 2f77 h SER 81 Ca 0.21 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2f77 h SER 81 Cb 0.41 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2f77 h SER 81 CO 0.01 0.42 -0.04 1.88 -1.14 0.00 0.00 176.83 177.96 2f77 h TYR 82 N 0.45 0.90 -0.35 3.45 0.05 -0.98 -2.67 116.97 117.82 2f77 h TYR 82 Ca 0.12 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 2f77 h TYR 82 Cb 0.07 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2f77 h TYR 82 CO -0.02 0.88 0.01 2.35 -1.05 0.00 0.00 178.16 180.33 2f77 h TRP 83 N 0.66 0.56 -0.91 4.88 2.91 -0.72 -2.22 115.95 121.11 2f77 h TRP 83 Ca 0.12 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.13 2f77 h TRP 83 Cb 0.55 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 28.98 2f77 h TRP 83 CO 0.04 0.54 0.59 -0.91 -1.03 0.00 0.00 178.44 177.67 2f77 h ASN 84 N 0.52 0.97 -0.59 2.65 2.35 -0.31 0.51 115.58 121.68 2f77 h ASN 84 Ca 0.11 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2f77 h ASN 84 Cb 0.32 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2f77 h ASN 84 CO 0.01 0.65 0.21 -0.07 -1.65 0.00 0.00 177.43 176.58 2f77 h LEU 85 N 1.12 0.84 -0.69 1.61 3.38 -1.23 -2.64 115.31 117.70 2f77 h LEU 85 Ca 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2f77 h LEU 85 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2f77 h LEU 85 CO -0.13 0.80 0.27 0.40 0.09 0.00 0.00 178.44 179.87 2f77 h ILE 86 N 0.83 1.25 -0.91 1.22 1.08 -1.03 -2.19 117.51 117.75 2f77 h ILE 86 Ca 0.19 -0.78 0.13 0.00 -0.39 0.00 0.00 64.86 64.02 2f77 h ILE 86 Cb 0.24 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 34.37 2f77 h ILE 86 CO -0.01 0.31 0.53 0.11 -0.69 0.00 0.00 178.15 178.40 2f77 h LYS 87 N 0.98 0.78 -0.30 2.37 1.57 -0.59 0.20 116.57 121.59 2f77 h LYS 87 Ca 0.23 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 2f77 h LYS 87 Cb 0.22 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2f77 h LYS 87 CO -0.02 0.52 -0.39 0.93 -0.57 0.00 0.00 179.45 179.92 2f77 h GLU 88 N 0.81 0.70 -0.10 3.15 5.08 -1.16 0.19 114.58 123.25 2f77 h GLU 88 Ca 0.47 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2f77 h GLU 88 Cb 0.56 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2f77 h GLU 88 CO -0.30 0.97 0.04 1.25 -1.00 0.00 0.00 179.01 179.96 2f77 h LEU 89 N 0.58 0.14 -0.14 1.33 5.85 -0.43 0.15 115.31 122.80 2f77 h LEU 89 Ca 0.05 -0.19 -0.19 0.00 0.84 0.00 0.00 57.88 58.40 2f77 h LEU 89 Cb 0.93 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.93 2f77 h LEU 89 CO 0.08 0.29 -0.64 0.16 -0.34 0.00 0.00 178.44 178.00 2f77 h ILE 90 N -0.01 1.32 -0.73 4.05 3.07 -1.10 -2.42 117.51 121.69 2f77 h ILE 90 Ca 0.03 -1.89 -0.01 0.00 1.55 0.00 0.00 64.86 64.55 2f77 h ILE 90 Cb 0.20 2.06 -0.03 0.00 -0.27 0.00 0.00 36.82 38.77 2f77 h ILE 90 CO -0.00 0.59 0.43 0.44 -1.05 0.00 0.00 178.15 178.55 2f77 h ASP 91 N 0.35 0.88 -0.53 2.16 3.32 -0.53 -2.43 116.42 119.64 2f77 h ASP 91 Ca -0.04 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 2f77 h ASP 91 Cb 1.27 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2f77 h ASP 91 CO 0.13 0.70 0.12 0.11 -1.72 0.00 0.00 179.24 178.58 2f77 h LYS 92 N 0.99 0.86 -6.43 3.56 1.57 -0.70 -3.41 116.57 113.01 2f77 h LYS 92 Ca 0.26 -0.21 -0.54 0.00 -1.87 0.00 0.00 60.65 58.29 2f77 h LYS 92 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2f77 h LYS 92 CO -0.05 0.82 0.40 0.21 -0.57 0.00 0.00 179.45 180.26 2f77 s LYS 93 N -5.27 4.55 -0.35 3.15 2.20 -0.91 -5.00 119.74 118.10 2f77 s LYS 93 Ca -0.13 1.47 -0.20 0.00 -0.36 0.00 0.00 55.97 56.75 2f77 s LYS 93 Cb 0.12 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2f77 s LYS 93 CO 0.80 -0.06 0.64 -1.21 -0.36 0.00 0.00 175.35 175.16 2f77 s GLU 94 N 0.95 3.70 0.02 4.03 2.02 -1.26 -4.83 118.70 123.33 2f77 s GLU 94 Ca 0.53 0.08 -0.02 0.00 0.02 0.00 0.00 54.97 55.57 2f77 s GLU 94 Cb -0.22 -3.80 -0.02 0.00 0.10 0.00 0.00 34.13 30.19 2f77 s GLU 94 CO 0.28 -0.73 0.02 0.54 0.02 0.00 0.00 175.26 175.39 2f77 s VAL 95 N 2.71 0.11 -0.57 2.63 0.11 -1.26 -5.11 120.40 119.02 2f77 s VAL 95 Ca 0.25 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 2f77 s VAL 95 Cb -0.14 -0.44 0.16 0.00 -1.53 0.00 0.00 36.38 34.42 2f77 s VAL 95 CO 0.15 -0.52 0.38 0.21 -3.33 0.00 0.00 175.10 171.99 2f77 s ASN 96 N -1.60 3.96 0.27 3.54 3.84 -1.26 -4.96 114.94 118.73 2f77 s ASN 96 Ca -0.13 -3.34 -0.01 0.00 0.21 0.00 0.00 52.86 49.59 2f77 s ASN 96 Cb -0.08 -1.33 0.49 0.00 -0.55 0.00 0.00 41.25 39.79 2f77 s ASN 96 CO -0.01 -0.16 1.84 -0.65 -2.79 0.00 0.00 177.10 175.33 2f77 h PRO 97 N 5.89 0.99 0.00 0.43 0.11 -2.00 -3.45 132.00 133.98 2f77 h PRO 97 Ca 0.09 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2f77 h PRO 97 Cb 0.84 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2f77 h PRO 97 CO 0.61 0.65 0.00 1.04 -0.21 0.00 0.00 178.00 180.10 2f77 n GLN 98 N -4.60 0.00 -3.91 1.05 6.02 -1.26 -5.08 117.38 109.59 2f77 n GLN 98 Ca 0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.86 2f77 n GLN 98 Cb 0.30 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.41 2f77 n GLN 98 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2f77 s VAL 99 N 0.00 1.69 0.00 5.09 1.01 -1.26 -5.28 120.40 121.65 2f77 s VAL 99 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2f77 s VAL 99 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2f77 s VAL 99 CO 0.00 -0.54 0.00 0.23 0.00 0.00 0.00 175.10 174.79