#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 n GLY 2 N 0.00 0.54 3.00 3.03 0.00 -1.26 -5.05 105.19 105.45 2f76 n GLY 2 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 2f76 n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f76 s GLN 3 N -1.43 1.25 0.17 1.61 -1.52 -1.26 -5.03 119.66 113.44 2f76 s GLN 3 Ca 0.00 -0.33 -0.11 0.00 -1.95 0.00 0.00 55.36 52.97 2f76 s GLN 3 Cb 0.00 -1.11 0.05 0.00 -0.22 0.00 0.00 33.01 31.73 2f76 s GLN 3 CO 0.00 0.07 1.64 0.93 -0.25 0.00 0.00 175.29 177.68 2f76 h GLU 4 N 6.68 0.97 -5.19 2.91 5.08 -2.10 -3.41 114.58 119.52 2f76 h GLU 4 Ca -0.33 -0.28 -0.66 0.00 -1.00 0.00 0.00 59.36 57.09 2f76 h GLU 4 Cb 1.17 -0.10 -0.27 0.00 0.50 0.00 0.00 28.75 30.05 2f76 h GLU 4 CO 0.48 0.95 -0.75 -1.17 -1.00 0.00 0.00 179.01 177.52 2f76 s LEU 5 N -9.43 2.79 0.28 1.33 2.96 -1.26 -4.99 118.68 110.36 2f76 s LEU 5 Ca -0.12 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 2f76 s LEU 5 Cb 0.13 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 2f76 s LEU 5 CO 0.83 0.09 0.45 -0.94 -1.32 0.00 0.00 176.35 175.47 2f76 s SER 6 N 0.78 0.32 0.57 3.68 1.04 -1.26 -5.02 113.70 113.80 2f76 s SER 6 Ca -0.04 -1.20 0.27 0.00 0.48 0.00 0.00 55.95 55.46 2f76 s SER 6 Cb -0.15 0.61 1.65 0.00 0.10 0.00 0.00 66.02 68.22 2f76 s SER 6 CO 0.01 -1.19 2.17 1.56 0.98 0.00 0.00 173.24 176.77 2f76 h GLN 7 N 2.23 0.00 -0.72 4.02 4.20 -1.99 -1.68 115.11 121.17 2f76 h GLN 7 Ca -0.28 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.44 2f76 h GLN 7 Cb 1.25 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 2f76 h GLN 7 CO 0.39 0.00 0.47 0.45 -0.67 0.00 0.00 178.83 179.47 2f76 h HIS 8 N 0.00 0.89 -0.52 2.96 3.86 -1.99 0.12 115.15 120.46 2f76 h HIS 8 Ca 0.04 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2f76 h HIS 8 Cb 0.21 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2f76 h HIS 8 CO 0.00 0.55 0.21 0.93 0.86 0.00 0.00 177.93 180.48 2f76 h GLU 9 N 0.96 0.78 -0.33 2.45 3.07 -1.69 -2.43 114.58 117.39 2f76 h GLU 9 Ca 0.27 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 2f76 h GLU 9 Cb -0.09 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 2f76 h GLU 9 CO -0.07 0.69 -0.08 0.00 -1.40 0.00 0.00 179.01 178.14 2f76 h ARG 10 N 0.71 0.54 -0.23 2.33 3.08 -1.38 -2.76 114.38 116.68 2f76 h ARG 10 Ca 0.17 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2f76 h ARG 10 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2f76 h ARG 10 CO -0.01 0.63 0.13 -0.92 -1.07 0.00 0.00 179.97 178.73 2f76 h TYR 11 N 0.51 0.25 -0.37 3.04 3.20 -0.31 -2.17 116.97 121.12 2f76 h TYR 11 Ca 0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2f76 h TYR 11 Cb 0.46 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2f76 h TYR 11 CO 0.02 0.15 -0.02 -0.24 -1.64 0.00 0.00 178.16 176.42 2f76 h VAL 12 N 0.27 1.22 -0.56 1.81 3.04 -1.35 -2.17 116.25 118.50 2f76 h VAL 12 Ca 0.09 -0.89 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 2f76 h VAL 12 Cb -0.00 0.97 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 2f76 h VAL 12 CO -0.04 0.30 0.33 -0.33 -1.01 0.00 0.00 177.57 176.82 2f76 h GLU 13 N 0.55 0.76 -0.49 4.17 5.08 -1.14 -1.44 114.58 122.06 2f76 h GLU 13 Ca 0.11 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2f76 h GLU 13 Cb 0.39 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2f76 h GLU 13 CO 0.02 0.54 0.00 1.96 -1.00 0.00 0.00 179.01 180.53 2f76 h GLN 14 N 0.77 0.87 -0.78 2.33 1.08 -0.79 -2.69 115.11 115.91 2f76 h GLN 14 Ca 0.20 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2f76 h GLN 14 Cb -0.01 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 2f76 h GLN 14 CO -0.04 0.91 0.36 -0.07 -0.95 0.00 0.00 178.83 179.04 2f76 h LEU 15 N 0.73 1.03 -0.31 1.46 3.38 -1.17 -1.57 115.31 118.87 2f76 h LEU 15 Ca 0.14 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2f76 h LEU 15 Cb 0.51 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2f76 h LEU 15 CO 0.03 0.89 0.08 0.50 0.09 0.00 0.00 178.44 180.02 2f76 h LYS 16 N 1.10 0.19 0.08 1.13 3.64 -1.05 0.47 116.57 122.13 2f76 h LYS 16 Ca 0.26 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2f76 h LYS 16 Cb 0.15 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2f76 h LYS 16 CO -0.03 0.13 -0.04 1.96 -2.27 0.00 0.00 179.45 179.20 2f76 h GLN 17 N 0.19 -0.10 -0.04 1.90 1.08 -1.23 0.17 115.11 117.09 2f76 h GLN 17 Ca 0.14 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2f76 h GLN 17 Cb 0.14 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2f76 h GLN 17 CO -0.18 0.18 0.02 0.00 -0.95 0.00 0.00 178.83 177.91 2f76 h ALA 18 N 0.51 0.05 -0.40 3.87 0.00 -1.14 -2.61 119.26 119.52 2f76 h ALA 18 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2f76 h ALA 18 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2f76 h ALA 18 CO 0.02 -0.40 -0.04 -0.07 0.00 0.00 0.00 179.25 178.76 2f76 h LEU 19 N -0.05 0.64 -0.87 0.00 3.38 -0.09 -2.85 115.31 115.46 2f76 h LEU 19 Ca 0.01 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2f76 h LEU 19 Cb 0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2f76 h LEU 19 CO -0.00 0.73 0.56 0.11 0.09 0.00 0.00 178.44 179.93 2f76 h LYS 20 N 0.62 1.05 0.00 1.13 1.79 -0.42 0.49 116.57 121.22 2f76 h LYS 20 Ca 0.12 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2f76 h LYS 20 Cb 0.44 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2f76 h LYS 20 CO 0.02 0.69 0.00 0.25 -1.08 0.00 0.00 179.45 179.33 2f76 n THR 21 N -4.55 1.05 1.04 -0.16 -2.24 -1.00 -1.11 114.28 107.31 2f76 n THR 21 Ca 0.11 0.51 0.11 0.00 -2.27 0.00 0.00 64.05 62.52 2f76 n THR 21 Cb 0.10 -1.48 0.05 0.00 -2.10 0.00 0.00 70.33 66.91 2f76 n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2f76 n ARG 22 N -2.14 0.91 0.00 -0.78 5.12 0.10 -4.93 116.66 114.93 2f76 n ARG 22 Ca 0.00 -0.71 0.00 0.00 -1.93 0.00 0.00 57.85 55.21 2f76 n ARG 22 Cb 0.11 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f76 n GLY 23 N 1.42 1.52 3.33 -0.13 0.00 -0.27 -5.02 105.19 106.05 2f76 n GLY 23 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 2f76 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f76 s VAL 24 N -2.00 5.14 -1.21 1.61 1.01 -0.83 -4.98 120.40 119.14 2f76 s VAL 24 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 2f76 s VAL 24 Cb 0.00 -4.35 0.19 0.00 0.00 0.00 0.00 36.38 32.22 2f76 s VAL 24 CO 0.00 -0.90 1.52 1.17 0.00 0.00 0.00 175.10 176.90 2f76 n LYS 25 N 5.45 3.54 -4.61 2.72 4.81 -1.26 -3.74 118.16 125.07 2f76 n LYS 25 Ca -0.13 -3.89 -0.23 0.00 -0.87 0.00 0.00 58.31 53.20 2f76 n LYS 25 Cb 0.41 -2.91 -0.15 0.00 0.02 0.00 0.00 35.03 32.39 2f76 n LYS 25 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2f76 s VAL 26 N 0.57 1.08 0.65 3.15 1.01 -1.26 -5.08 120.40 120.52 2f76 s VAL 26 Ca 0.40 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2f76 s VAL 26 Cb 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 2f76 s VAL 26 CO 0.00 0.32 1.09 -0.54 0.00 0.00 0.00 175.10 175.97 2f76 s LYS 27 N -0.04 2.89 0.15 2.72 1.02 -1.26 -4.91 119.74 120.32 2f76 s LYS 27 Ca -0.00 1.30 -0.15 0.00 0.02 0.00 0.00 55.97 57.14 2f76 s LYS 27 Cb -0.08 -1.97 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2f76 s LYS 27 CO 0.01 -1.17 1.73 0.10 -0.92 0.00 0.00 175.35 175.10 2f76 h TYR 28 N -0.01 0.69 -0.67 3.18 -0.00 -1.97 -2.67 116.97 115.51 2f76 h TYR 28 Ca -0.46 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 58.22 2f76 h TYR 28 Cb 1.24 -0.21 -0.03 0.00 -0.00 0.00 0.00 36.73 37.72 2f76 h TYR 28 CO 0.56 0.55 0.36 0.00 -0.00 0.00 0.00 178.16 179.64 2f76 h ALA 29 N 1.06 1.38 -0.17 0.10 0.00 -1.97 -1.03 119.26 118.64 2f76 h ALA 29 Ca 0.16 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2f76 h ALA 29 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2f76 h ALA 29 CO -0.02 0.51 0.02 -0.44 0.00 0.00 0.00 179.25 179.33 2f76 h ASP 30 N 0.93 -0.01 -0.34 0.00 3.32 -1.86 0.86 116.42 119.33 2f76 h ASP 30 Ca 0.24 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 2f76 h ASP 30 Cb 0.03 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2f76 h ASP 30 CO -0.04 0.02 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.35 2f76 h LEU 31 N 0.09 0.74 -0.61 1.55 3.38 -1.33 -2.05 115.31 117.09 2f76 h LEU 31 Ca 0.08 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2f76 h LEU 31 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2f76 h LEU 31 CO -0.11 0.86 0.40 0.25 0.09 0.00 0.00 178.44 179.93 2f76 h LEU 32 N 0.69 0.70 -0.53 1.67 5.85 -0.44 0.12 115.31 123.37 2f76 h LEU 32 Ca 0.12 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2f76 h LEU 32 Cb 0.55 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2f76 h LEU 32 CO 0.03 0.51 0.16 0.11 -0.34 0.00 0.00 178.44 178.91 2f76 h LYS 33 N 0.82 0.84 -0.55 1.25 1.57 -0.60 -2.51 116.57 117.39 2f76 h LYS 33 Ca 0.22 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2f76 h LYS 33 Cb -0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2f76 h LYS 33 CO -0.05 0.77 0.29 0.35 -0.57 0.00 0.00 179.45 180.25 2f76 h PHE 34 N 0.74 0.76 -0.50 -1.35 3.04 -0.82 -0.49 116.94 118.32 2f76 h PHE 34 Ca 0.17 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.14 2f76 h PHE 34 Cb 0.30 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.52 2f76 h PHE 34 CO 0.02 0.56 0.27 0.74 -2.02 0.00 0.00 178.31 177.88 2f76 h PHE 35 N 0.73 0.49 0.00 0.41 0.04 -0.57 -1.07 116.94 116.97 2f76 h PHE 35 Ca 0.19 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.92 2f76 h PHE 35 Cb 0.06 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2f76 h PHE 35 CO -0.01 0.26 -0.29 0.38 -0.60 0.00 0.00 178.31 178.05 2f76 h ASP 36 N 0.53 0.00 0.23 2.17 3.04 -1.25 -2.98 116.42 118.15 2f76 h ASP 36 Ca 0.21 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.99 2f76 h ASP 36 Cb 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 2f76 h ASP 36 CO -0.13 0.29 -0.11 0.15 -2.04 0.00 0.00 179.24 177.39 2f76 h PHE 37 N 0.00 -0.28 -0.46 4.15 3.57 0.24 0.13 116.94 124.28 2f76 h PHE 37 Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2f76 h PHE 37 Cb 0.82 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2f76 h PHE 37 CO 0.00 -0.16 -0.15 -0.24 -2.23 0.00 0.00 178.31 175.53 2f76 h VAL 38 N -0.33 1.27 0.00 1.41 3.04 -1.51 -2.36 116.25 117.76 2f76 h VAL 38 Ca -0.03 -1.27 -0.03 0.00 -1.01 0.00 0.00 66.70 64.36 2f76 h VAL 38 Cb 0.25 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2f76 h VAL 38 CO 0.05 0.44 -0.13 0.11 -1.01 0.00 0.00 177.57 177.02 2f76 h LYS 39 N 0.77 0.00 0.07 4.17 1.57 -1.35 2.95 116.57 124.76 2f76 h LYS 39 Ca 0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2f76 h LYS 39 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2f76 h LYS 39 CO 0.05 0.13 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.59 2f76 h ASP 40 N 0.00 -0.08 0.02 0.86 3.32 -0.22 -3.20 116.42 117.13 2f76 h ASP 40 Ca -0.00 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2f76 h ASP 40 Cb 0.34 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2f76 h ASP 40 CO 0.02 0.54 -0.54 0.35 -1.72 0.00 0.00 179.24 177.89 2f76 n THR 41 N -4.83 0.00 -3.27 0.35 -2.24 -1.08 -4.69 114.28 98.51 2f76 n THR 41 Ca -0.08 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 2f76 n THR 41 Cb 0.30 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 n PRO 43 N 3.60 0.61 -4.05 0.00 -0.04 -1.21 -3.03 135.00 130.89 2f76 n PRO 43 Ca 0.18 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.42 2f76 n PRO 43 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2f76 n PRO 43 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2f76 s TRP 44 N -2.07 3.26 -0.42 0.54 -2.14 -1.26 -4.99 118.94 111.86 2f76 s TRP 44 Ca 0.30 -0.03 0.08 0.00 2.66 0.00 0.00 56.10 59.11 2f76 s TRP 44 Cb 0.14 -1.51 0.26 0.00 -3.10 0.00 0.00 33.47 29.27 2f76 s TRP 44 CO 0.25 0.50 0.70 0.34 -2.66 0.00 0.00 176.95 176.08 2f76 n PHE 45 N -0.92 -1.33 -1.65 1.66 7.35 -1.26 -4.93 117.46 116.39 2f76 n PHE 45 Ca -0.08 -2.98 -0.43 0.00 -0.76 0.00 0.00 57.45 53.21 2f76 n PHE 45 Cb 0.56 0.33 -0.00 0.00 0.35 0.00 0.00 39.48 40.72 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2f76 n PRO 46 N 1.26 1.73 -5.26 -7.13 -0.02 -1.26 -5.01 135.00 119.31 2f76 n PRO 46 Ca 0.17 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.95 2f76 n PRO 46 Cb 0.59 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 2f76 n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2f76 s GLN 47 N -1.86 2.36 0.25 -0.52 -0.21 -1.26 -4.90 119.66 113.52 2f76 s GLN 47 Ca 0.59 -0.90 0.01 0.00 0.02 0.00 0.00 55.36 55.08 2f76 s GLN 47 Cb -0.59 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2f76 s GLN 47 CO 0.60 0.43 0.13 -1.21 -2.12 0.00 0.00 175.29 173.12 2f76 s GLU 48 N -0.31 1.40 0.25 2.91 2.02 -1.26 -5.05 118.70 118.67 2f76 s GLU 48 Ca 0.01 -1.77 -0.05 0.00 0.02 0.00 0.00 54.97 53.19 2f76 s GLU 48 Cb -0.12 -0.05 0.34 0.00 0.10 0.00 0.00 34.13 34.39 2f76 s GLU 48 CO 0.02 -0.37 1.89 0.78 0.02 0.00 0.00 175.26 177.60 2f76 h GLY 49 N 2.40 1.42 -1.25 -1.39 0.00 -2.03 -3.41 103.07 98.80 2f76 h GLY 49 Ca -0.36 -0.46 -0.49 0.00 0.00 0.00 0.00 47.33 46.02 2f76 h GLY 49 CO 0.56 0.37 0.32 -0.51 0.00 0.00 0.00 176.54 177.27 2f76 s THR 50 N -6.07 3.56 -0.43 4.70 -4.23 -1.26 -4.87 115.64 107.04 2f76 s THR 50 Ca -0.13 0.29 -0.38 0.00 -1.18 0.00 0.00 61.69 60.29 2f76 s THR 50 Cb 0.19 -3.47 -0.16 0.00 1.34 0.00 0.00 72.50 70.40 2f76 s THR 50 CO 0.81 -0.56 1.81 -0.38 -0.54 0.00 0.00 174.62 175.75 2f76 n ILE 51 N -2.83 0.00 0.04 2.99 5.41 -1.26 -4.79 119.36 118.92 2f76 n ILE 51 Ca 0.06 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 2f76 n ILE 51 Cb 0.57 -0.43 -0.02 0.00 -0.71 0.00 0.00 39.64 39.06 2f76 n ILE 51 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2f76 h ASP 52 N 7.55 0.63 -0.23 4.38 3.58 -1.90 -3.12 116.42 127.32 2f76 h ASP 52 Ca -0.10 -0.44 0.07 0.00 0.42 0.00 0.00 57.03 56.98 2f76 h ASP 52 Cb 1.21 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2f76 h ASP 52 CO 0.93 1.21 0.33 0.40 -2.88 0.00 0.00 179.24 179.23 2f76 h ILE 53 N 0.33 0.29 -0.74 2.25 2.04 -1.91 -1.70 117.51 118.06 2f76 h ILE 53 Ca -0.05 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.97 2f76 h ILE 53 Cb 1.42 0.72 -0.11 0.00 -0.74 0.00 0.00 36.82 38.11 2f76 h ILE 53 CO 0.15 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.61 2f76 h LYS 54 N 0.00 0.28 -0.27 2.37 1.57 -1.92 0.29 116.57 118.90 2f76 h LYS 54 Ca 0.11 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2f76 h LYS 54 Cb 0.78 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2f76 h LYS 54 CO -0.00 0.19 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.66 2f76 h ARG 55 N 0.29 0.56 0.37 3.15 2.43 -1.54 -1.24 114.38 118.39 2f76 h ARG 55 Ca 0.42 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2f76 h ARG 55 Cb 0.72 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2f76 h ARG 55 CO -0.50 0.81 -0.18 2.35 -1.51 0.00 0.00 179.97 180.94 2f76 h TRP 56 N 0.48 -0.46 0.00 2.20 7.01 -0.57 -2.04 115.95 122.57 2f76 h TRP 56 Ca 0.06 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.98 2f76 h TRP 56 Cb 0.79 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 2f76 h TRP 56 CO 0.03 -0.23 -0.33 0.00 -2.79 0.00 0.00 178.44 175.13 2f76 h ARG 57 N -0.60 0.00 -0.56 2.65 2.47 -1.14 -2.83 114.38 114.37 2f76 h ARG 57 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2f76 h ARG 57 Cb 0.44 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 2f76 h ARG 57 CO 0.08 0.33 0.36 -0.09 0.56 0.00 0.00 179.97 181.21 2f76 h ARG 58 N 0.00 0.75 -0.47 0.04 2.43 -0.92 0.46 114.38 116.68 2f76 h ARG 58 Ca -0.00 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2f76 h ARG 58 Cb 0.59 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2f76 h ARG 58 CO 0.04 0.52 0.14 0.28 -1.51 0.00 0.00 179.97 179.44 2f76 h VAL 59 N 0.76 1.23 -0.30 0.20 2.07 -1.14 -1.32 116.25 117.75 2f76 h VAL 59 Ca 0.20 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 2f76 h VAL 59 Cb -0.05 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2f76 h VAL 59 CO -0.04 0.28 -0.04 1.23 0.02 0.00 0.00 177.57 179.01 2f76 h GLY 60 N 0.62 0.60 0.78 2.17 0.00 -1.29 -0.59 103.07 105.37 2f76 h GLY 60 Ca 0.15 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.05 2f76 h GLY 60 CO -0.00 0.44 0.41 -1.80 0.00 0.00 0.00 176.54 175.59 2f76 h ASP 61 N 0.33 0.65 0.55 0.19 3.58 0.05 1.27 116.42 123.05 2f76 h ASP 61 Ca 0.08 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 2f76 h ASP 61 Cb 0.51 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.44 2f76 h ASP 61 CO 0.02 0.44 -0.27 0.00 -2.88 0.00 0.00 179.24 176.55 2f76 h PHE 63 N -1.12 0.00 -0.64 0.00 0.04 -1.01 -0.36 116.94 113.86 2f76 h PHE 63 Ca -0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 2f76 h PHE 63 Cb 0.62 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 2f76 h PHE 63 CO 0.01 0.00 0.20 0.37 -0.60 0.00 0.00 178.31 178.28 2f76 h GLN 64 N 0.00 0.98 -0.51 1.51 4.15 0.17 0.34 115.11 121.75 2f76 h GLN 64 Ca 0.03 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.26 2f76 h GLN 64 Cb 0.11 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 2f76 h GLN 64 CO -0.00 0.84 0.33 -0.44 -1.93 0.00 0.00 178.83 177.64 2f76 h ASP 65 N 0.95 0.57 -0.06 -0.69 3.32 -0.52 0.63 116.42 120.61 2f76 h ASP 65 Ca 0.21 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2f76 h ASP 65 Cb 0.27 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.69 2f76 h ASP 65 CO -0.01 0.41 -0.42 1.88 -1.72 0.00 0.00 179.24 179.38 2f76 h TYR 66 N 0.68 0.54 -0.78 4.55 0.05 -1.42 -2.69 116.97 117.89 2f76 h TYR 66 Ca 0.19 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 2f76 h TYR 66 Cb -0.06 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 2f76 h TYR 66 CO -0.04 1.02 0.41 1.88 -1.05 0.00 0.00 178.16 180.37 2f76 h TYR 67 N -0.09 1.10 -0.53 4.88 -1.99 -0.17 0.62 116.97 120.80 2f76 h TYR 67 Ca -0.04 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 2f76 h TYR 67 Cb 1.09 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 39.45 2f76 h TYR 67 CO 0.13 0.79 0.21 -0.91 -0.00 0.00 0.00 178.16 178.38 2f76 h ASN 68 N 1.10 0.73 -0.23 3.88 -0.26 0.22 0.29 115.58 121.31 2f76 h ASN 68 Ca 0.27 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 2f76 h ASN 68 Cb 0.07 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 2f76 h ASN 68 CO -0.04 0.70 0.06 0.74 -1.06 0.00 0.00 177.43 177.83 2f76 h THR 69 N 0.71 1.20 -0.81 2.81 2.02 -1.11 -2.89 112.91 114.83 2f76 h THR 69 Ca 0.18 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2f76 h THR 69 Cb 0.20 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2f76 h THR 69 CO -0.01 0.21 0.40 -0.26 0.37 0.00 0.00 175.52 176.22 2f76 h PHE 70 N 0.19 1.16 0.00 3.16 0.04 -0.67 -3.47 116.94 117.35 2f76 h PHE 70 Ca 0.07 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2f76 h PHE 70 Cb 0.26 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.05 2f76 h PHE 70 CO 0.01 0.84 0.00 0.41 -0.60 0.00 0.00 178.31 178.96 2f76 n GLY 71 N -1.05 4.05 3.52 -1.45 0.00 0.92 -5.08 105.19 106.09 2f76 n GLY 71 Ca 0.08 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f76 n PRO 72 N 0.00 0.36 -0.08 1.61 -0.02 -0.56 -4.74 135.00 131.58 2f76 n PRO 72 Ca 0.00 -0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.49 2f76 n PRO 72 Cb 0.00 -2.22 0.36 0.00 -0.02 0.00 0.00 33.50 31.62 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f76 n GLU 73 N 8.15 1.86 -0.21 -0.52 0.28 -1.26 -3.75 120.64 125.18 2f76 n GLU 73 Ca 0.56 -1.28 0.19 0.00 -0.16 0.00 0.00 57.16 56.48 2f76 n GLU 73 Cb 0.24 -1.43 0.34 0.00 1.43 0.00 0.00 31.44 32.03 2f76 n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2f76 n LYS 74 N 0.51 -0.03 -3.87 3.44 4.81 -1.26 -1.54 118.16 120.22 2f76 n LYS 74 Ca 0.17 0.73 -0.31 0.00 -0.87 0.00 0.00 58.31 58.04 2f76 n LYS 74 Cb 0.39 -1.37 -0.12 0.00 0.02 0.00 0.00 35.03 33.95 2f76 n LYS 74 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2f76 s VAL 75 N -4.71 3.02 0.71 3.15 -7.23 -1.26 -4.72 120.40 109.36 2f76 s VAL 75 Ca -0.05 -3.70 -0.16 0.00 -1.81 0.00 0.00 61.98 56.26 2f76 s VAL 75 Cb 0.18 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 34.14 2f76 s VAL 75 CO 0.44 -0.91 1.26 -2.84 -0.31 0.00 0.00 175.10 172.73 2f76 s PRO 76 N -0.81 2.19 0.42 4.82 0.02 -0.59 -4.91 135.00 136.13 2f76 s PRO 76 Ca 0.21 1.94 0.12 0.00 0.02 0.00 0.00 61.00 63.29 2f76 s PRO 76 Cb -0.15 -1.82 0.89 0.00 0.02 0.00 0.00 34.50 33.44 2f76 s PRO 76 CO -0.08 -1.84 1.95 -0.24 -0.33 0.00 0.00 177.00 176.46 2f76 h VAL 77 N -0.03 1.16 -0.02 3.83 3.04 -1.97 -2.57 116.25 119.68 2f76 h VAL 77 Ca -0.49 -0.71 0.01 0.00 -1.01 0.00 0.00 66.70 64.50 2f76 h VAL 77 Cb 1.32 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.88 2f76 h VAL 77 CO 0.50 0.21 0.80 0.71 -1.01 0.00 0.00 177.57 178.79 2f76 h THR 78 N 0.11 0.00 -0.55 3.17 1.35 -2.01 0.93 112.91 115.92 2f76 h THR 78 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 2f76 h THR 78 Cb 0.35 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 66.94 2f76 h THR 78 CO 0.02 0.00 0.24 0.00 -0.25 0.00 0.00 175.52 175.53 2f76 h ALA 79 N 0.41 1.39 -0.54 6.62 0.00 -1.83 -2.64 119.26 122.67 2f76 h ALA 79 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2f76 h ALA 79 Cb 1.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2f76 h ALA 79 CO -0.00 0.47 0.36 0.35 0.00 0.00 0.00 179.25 180.42 2f76 h PHE 80 N 0.77 0.67 0.17 0.00 3.04 0.66 0.22 116.94 122.48 2f76 h PHE 80 Ca 0.19 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2f76 h PHE 80 Cb 0.12 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.41 2f76 h PHE 80 CO 0.01 0.42 -0.08 0.66 -2.02 0.00 0.00 178.31 177.29 2f76 h SER 81 N 0.72 -0.20 -0.43 0.41 4.64 -1.61 -1.96 113.55 115.14 2f76 h SER 81 Ca 0.20 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2f76 h SER 81 Cb -0.07 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2f76 h SER 81 CO -0.05 -0.06 0.26 1.88 -0.87 0.00 0.00 176.83 177.99 2f76 h TYR 82 N -0.32 0.57 -0.14 4.77 0.05 -1.34 0.10 116.97 120.66 2f76 h TYR 82 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2f76 h TYR 82 Cb 0.25 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2f76 h TYR 82 CO -0.04 0.38 0.05 2.35 -1.05 0.00 0.00 178.16 179.85 2f76 h TRP 83 N 0.60 0.18 -0.84 4.88 7.01 -0.10 -0.90 115.95 126.79 2f76 h TRP 83 Ca 0.16 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.22 2f76 h TRP 83 Cb -0.02 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 26.92 2f76 h TRP 83 CO 0.00 0.16 0.51 -0.97 -2.79 0.00 0.00 178.44 175.35 2f76 h ASN 84 N 0.19 0.80 -0.93 2.65 -0.73 -0.03 -0.28 115.58 117.24 2f76 h ASN 84 Ca 0.05 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 2f76 h ASN 84 Cb 0.05 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.45 2f76 h ASN 84 CO -0.00 0.50 0.53 -0.07 -0.37 0.00 0.00 177.43 178.02 2f76 h LEU 85 N 0.93 1.14 -0.66 0.34 -0.00 -1.16 -2.45 115.31 113.44 2f76 h LEU 85 Ca 0.37 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 2f76 h LEU 85 Cb 0.19 -0.29 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2f76 h LEU 85 CO -0.18 0.89 0.37 0.40 -0.00 0.00 0.00 178.44 179.93 2f76 h ILE 86 N 1.29 1.20 -0.91 1.22 2.04 -0.96 -2.07 117.51 119.33 2f76 h ILE 86 Ca 0.33 -0.50 0.13 0.00 1.00 0.00 0.00 64.86 65.82 2f76 h ILE 86 Cb -0.01 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.33 2f76 h ILE 86 CO -0.06 0.22 0.58 0.11 0.00 0.00 0.00 178.15 179.01 2f76 h LYS 87 N 0.90 0.76 -0.34 2.37 1.57 -0.78 0.13 116.57 121.18 2f76 h LYS 87 Ca 0.23 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2f76 h LYS 87 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2f76 h LYS 87 CO -0.04 0.50 -0.21 0.93 -0.57 0.00 0.00 179.45 180.06 2f76 h GLU 88 N 0.78 0.66 -0.23 3.15 5.08 -1.17 0.11 114.58 122.97 2f76 h GLU 88 Ca 0.45 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2f76 h GLU 88 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2f76 h GLU 88 CO -0.21 0.82 0.06 -0.07 -1.00 0.00 0.00 179.01 178.61 2f76 h LEU 89 N 0.58 0.34 -0.71 1.33 4.07 -0.31 2.14 115.31 122.76 2f76 h LEU 89 Ca 0.09 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 2f76 h LEU 89 Cb 0.68 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2f76 h LEU 89 CO 0.05 0.47 -0.40 0.40 -1.08 0.00 0.00 178.44 177.88 2f76 h ILE 90 N 0.20 0.86 -0.01 1.22 2.04 -1.29 -2.98 117.51 117.56 2f76 h ILE 90 Ca 0.07 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.25 2f76 h ILE 90 Cb 0.26 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2f76 h ILE 90 CO -0.00 0.39 -0.60 0.47 0.00 0.00 0.00 178.15 178.42 2f76 n ASP 91 N -3.44 1.54 -3.18 1.72 8.00 0.02 -5.01 116.55 116.20 2f76 n ASP 91 Ca 0.00 -1.23 -0.10 0.00 0.71 0.00 0.00 54.79 54.18 2f76 n ASP 91 Cb 0.56 0.57 0.01 0.00 -0.02 0.00 0.00 41.12 42.24 2f76 n ASP 91 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2f76 n LYS 92 N -0.59 -1.28 -0.03 -1.24 4.76 0.72 -4.81 118.16 115.69 2f76 n LYS 92 Ca 0.08 1.32 -0.01 0.00 -2.87 0.00 0.00 58.31 56.83 2f76 n LYS 92 Cb 0.41 -2.19 0.27 0.00 -1.84 0.00 0.00 35.03 31.68 2f76 n LYS 92 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2f76 h LYS 93 N 3.05 0.59 -0.53 1.97 3.64 -1.82 -2.55 116.57 120.92 2f76 h LYS 93 Ca -0.14 -0.12 0.15 0.00 -1.27 0.00 0.00 60.65 59.27 2f76 h LYS 93 Cb 0.95 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2f76 h LYS 93 CO 0.08 0.59 1.09 1.49 -2.27 0.00 0.00 179.45 180.44 2f76 h GLU 94 N 0.57 0.00 -5.19 1.90 4.81 -1.88 -3.34 114.58 111.45 2f76 h GLU 94 Ca 0.12 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.81 2f76 h GLU 94 Cb 0.32 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.39 2f76 h GLU 94 CO 0.01 0.00 -0.83 0.14 -0.73 0.00 0.00 179.01 177.60 2f76 s VAL 95 N -4.23 1.34 0.27 0.32 -7.23 -0.96 -5.14 120.40 104.76 2f76 s VAL 95 Ca -0.01 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 2f76 s VAL 95 Cb 0.07 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 2f76 s VAL 95 CO 0.25 0.39 0.29 0.54 -0.31 0.00 0.00 175.10 176.25 2f76 s ASN 96 N 0.08 5.79 0.57 4.85 4.22 -1.26 -4.89 114.94 124.31 2f76 s ASN 96 Ca -0.04 -0.17 -0.18 0.00 -2.14 0.00 0.00 52.86 50.33 2f76 s ASN 96 Cb -0.11 -1.48 -0.04 0.00 1.28 0.00 0.00 41.25 40.89 2f76 s ASN 96 CO 0.02 -0.13 1.12 -2.16 -2.04 0.00 0.00 177.10 173.91 2f76 s PRO 97 N -3.94 3.22 0.03 3.55 0.04 -1.26 -5.07 135.00 131.58 2f76 s PRO 97 Ca 0.35 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 2f76 s PRO 97 Cb -0.08 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2f76 s PRO 97 CO 0.27 -0.94 -0.02 -0.65 0.04 0.00 0.00 177.00 175.70 2f76 s GLN 98 N -3.52 0.45 0.12 4.56 -0.21 -1.26 -5.06 119.66 114.74 2f76 s GLN 98 Ca 0.71 -0.86 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 2f76 s GLN 98 Cb -0.22 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 2f76 s GLN 98 CO 0.31 -0.08 1.69 0.28 -2.12 0.00 0.00 175.29 175.37 2f76 h VAL 99 N 3.99 1.17 0.00 1.09 2.07 -2.09 -3.58 116.25 118.89 2f76 h VAL 99 Ca -0.33 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2f76 h VAL 99 Cb 1.18 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2f76 h VAL 99 CO 0.52 0.18 0.00 0.80 0.02 0.00 0.00 177.57 179.08