#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 h GLY 2 N 0.00 0.69 0.00 3.03 0.00 -2.11 -3.45 103.07 101.23 2f76 h GLY 2 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2f76 h GLY 2 CO 0.00 0.38 0.00 -1.06 0.00 0.00 0.00 176.54 175.86 2f76 n GLN 3 N -4.27 0.00 -3.99 4.80 6.02 -1.26 -3.83 117.38 114.86 2f76 n GLN 3 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 2f76 n GLN 3 Cb 0.25 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.36 2f76 n GLN 3 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2f76 s GLU 4 N 0.00 2.89 -0.13 -1.09 2.02 -1.26 -5.10 118.70 116.03 2f76 s GLU 4 Ca 0.00 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.07 2f76 s GLU 4 Cb 0.00 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 2f76 s GLU 4 CO 0.00 -0.35 -0.17 -1.17 0.02 0.00 0.00 175.26 173.59 2f76 s LEU 5 N 1.32 2.47 0.14 1.80 2.96 -1.25 -5.04 118.68 121.09 2f76 s LEU 5 Ca 0.01 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2f76 s LEU 5 Cb -0.16 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2f76 s LEU 5 CO -0.06 0.15 0.21 -0.94 -1.32 0.00 0.00 176.35 174.38 2f76 s SER 6 N 0.44 0.13 0.47 3.68 1.04 -1.26 -5.03 113.70 113.18 2f76 s SER 6 Ca -0.12 -0.92 0.18 0.00 0.48 0.00 0.00 55.95 55.56 2f76 s SER 6 Cb -0.16 0.38 1.15 0.00 0.10 0.00 0.00 66.02 67.48 2f76 s SER 6 CO 0.05 -0.82 2.03 -0.61 0.98 0.00 0.00 173.24 174.87 2f76 h GLN 7 N 2.67 0.00 -0.56 4.02 4.15 -1.99 -2.21 115.11 121.19 2f76 h GLN 7 Ca -0.33 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.98 2f76 h GLN 7 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2f76 h GLN 7 CO 0.53 0.15 -0.07 0.45 -1.93 0.00 0.00 178.83 177.96 2f76 h HIS 8 N 0.00 1.13 -0.62 3.99 3.86 -1.98 0.49 115.15 122.02 2f76 h HIS 8 Ca -0.00 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 58.93 2f76 h HIS 8 Cb 0.29 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2f76 h HIS 8 CO 0.00 1.03 0.17 0.93 0.86 0.00 0.00 177.93 180.92 2f76 h GLU 9 N 0.92 0.98 -0.31 2.45 5.08 -1.81 -1.48 114.58 120.40 2f76 h GLU 9 Ca 0.15 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2f76 h GLU 9 Cb 0.63 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2f76 h GLU 9 CO 0.04 0.88 -0.45 0.00 -1.00 0.00 0.00 179.01 178.48 2f76 h ARG 10 N 0.90 0.81 -0.00 2.33 3.08 -1.32 -2.36 114.38 117.82 2f76 h ARG 10 Ca 0.20 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 2f76 h ARG 10 Cb 0.33 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2f76 h ARG 10 CO -0.00 1.09 0.00 -0.92 -1.07 0.00 0.00 179.97 179.07 2f76 h TYR 11 N 0.65 0.00 -0.33 3.04 3.20 -0.64 -1.03 116.97 121.86 2f76 h TYR 11 Ca 0.04 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2f76 h TYR 11 Cb 1.03 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2f76 h TYR 11 CO 0.06 0.06 -0.10 -0.24 -1.64 0.00 0.00 178.16 176.30 2f76 h VAL 12 N -0.05 1.23 -0.73 1.81 3.04 -1.32 -2.56 116.25 117.67 2f76 h VAL 12 Ca 0.00 -1.00 -0.06 0.00 -1.01 0.00 0.00 66.70 64.62 2f76 h VAL 12 Cb 0.05 1.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 2f76 h VAL 12 CO -0.00 0.33 0.21 -0.33 -1.01 0.00 0.00 177.57 176.77 2f76 h GLU 13 N 0.51 1.15 -0.70 4.17 4.39 -1.14 -2.09 114.58 120.87 2f76 h GLU 13 Ca 0.10 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2f76 h GLU 13 Cb 0.48 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2f76 h GLU 13 CO 0.03 0.99 0.22 1.96 -1.16 0.00 0.00 179.01 181.05 2f76 h GLN 14 N 1.10 1.08 -0.62 2.33 4.20 -0.83 -2.57 115.11 119.80 2f76 h GLN 14 Ca 0.23 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2f76 h GLN 14 Cb 0.34 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2f76 h GLN 14 CO -0.00 0.92 0.27 -0.07 -0.67 0.00 0.00 178.83 179.27 2f76 h LEU 15 N 1.04 0.84 -0.34 1.46 3.38 -1.08 -2.47 115.31 118.14 2f76 h LEU 15 Ca 0.23 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2f76 h LEU 15 Cb 0.29 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2f76 h LEU 15 CO -0.01 0.77 0.05 0.50 0.09 0.00 0.00 178.44 179.83 2f76 h LYS 16 N 0.86 0.15 0.17 1.13 3.64 -0.99 0.29 116.57 121.83 2f76 h LYS 16 Ca 0.21 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2f76 h LYS 16 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2f76 h LYS 16 CO -0.02 0.10 -0.08 1.96 -2.27 0.00 0.00 179.45 179.14 2f76 h GLN 17 N 0.16 -0.22 0.14 1.90 1.08 -1.30 0.36 115.11 117.23 2f76 h GLN 17 Ca 0.16 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2f76 h GLN 17 Cb 0.20 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2f76 h GLN 17 CO -0.24 -0.07 -0.07 0.00 -0.95 0.00 0.00 178.83 177.50 2f76 h ALA 18 N 0.50 -0.19 -0.51 3.87 0.00 -1.21 -2.73 119.26 118.99 2f76 h ALA 18 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2f76 h ALA 18 Cb 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2f76 h ALA 18 CO 0.04 -0.54 0.09 -0.07 0.00 0.00 0.00 179.25 178.76 2f76 h LEU 19 N -0.32 0.74 -1.16 0.00 4.07 -0.43 -2.55 115.31 115.67 2f76 h LEU 19 Ca -0.02 -0.14 0.08 0.00 0.08 0.00 0.00 57.88 57.88 2f76 h LEU 19 Cb 0.26 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.74 2f76 h LEU 19 CO 0.03 0.76 0.59 0.50 -1.08 0.00 0.00 178.44 179.24 2f76 h LYS 20 N 0.76 0.94 0.00 1.13 3.64 -0.12 0.32 116.57 123.25 2f76 h LYS 20 Ca 0.16 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2f76 h LYS 20 Cb 0.33 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2f76 h LYS 20 CO 0.00 0.62 0.00 0.25 -2.27 0.00 0.00 179.45 178.05 2f76 n THR 21 N -4.52 0.77 1.33 1.00 -2.24 -0.97 -2.30 114.28 107.36 2f76 n THR 21 Ca 0.15 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 2f76 n THR 21 Cb 0.26 -1.00 0.44 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.09 1.06 0.00 -0.78 1.74 0.11 -4.88 116.66 111.81 2f76 n ARG 22 Ca 0.03 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 2f76 n ARG 22 Cb 0.26 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f76 n GLY 23 N 1.29 1.60 3.78 -0.13 0.00 -0.97 -4.99 105.19 105.76 2f76 n GLY 23 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 5.42 -0.59 1.61 1.01 -1.03 -5.01 120.40 119.82 2f76 s VAL 24 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.28 2f76 s VAL 24 Cb 0.00 -3.47 0.21 0.00 0.00 0.00 0.00 36.38 33.12 2f76 s VAL 24 CO 0.00 0.50 0.57 1.17 0.00 0.00 0.00 175.10 177.34 2f76 n LYS 25 N 3.00 1.67 -4.47 2.72 4.81 -1.26 -4.23 118.16 120.40 2f76 n LYS 25 Ca -0.17 -4.16 -0.22 0.00 -0.87 0.00 0.00 58.31 52.89 2f76 n LYS 25 Cb 0.53 -2.01 -0.16 0.00 0.02 0.00 0.00 35.03 33.41 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 -1.57 0.92 0.81 3.15 1.01 -1.26 -5.11 120.40 118.35 2f76 s VAL 26 Ca 0.33 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 2f76 s VAL 26 Cb 0.07 -0.82 0.09 0.00 0.00 0.00 0.00 36.38 35.72 2f76 s VAL 26 CO -0.11 0.29 1.19 -0.54 0.00 0.00 0.00 175.10 175.93 2f76 s LYS 27 N 0.29 1.61 0.08 2.72 1.02 -1.26 -4.93 119.74 119.27 2f76 s LYS 27 Ca -0.06 1.70 -0.21 0.00 0.02 0.00 0.00 55.97 57.43 2f76 s LYS 27 Cb -0.11 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.32 2f76 s LYS 27 CO 0.01 -2.22 1.60 -0.92 -0.92 0.00 0.00 175.35 172.90 2f76 h TYR 28 N -0.99 0.26 -0.45 3.18 3.20 -2.00 -2.78 116.97 117.38 2f76 h TYR 28 Ca -0.46 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.47 2f76 h TYR 28 Cb 1.29 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 2f76 h TYR 28 CO 0.48 0.34 0.31 0.00 -1.64 0.00 0.00 178.16 177.65 2f76 h ALA 29 N 0.89 2.06 -0.07 1.82 0.00 -1.98 -1.61 119.26 120.36 2f76 h ALA 29 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2f76 h ALA 29 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2f76 h ALA 29 CO -0.00 -0.15 0.04 -0.44 0.00 0.00 0.00 179.25 178.70 2f76 h ASP 30 N 0.28 0.08 -0.49 0.00 3.32 -1.86 0.29 116.42 118.05 2f76 h ASP 30 Ca 0.20 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2f76 h ASP 30 Cb 0.44 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2f76 h ASP 30 CO -0.04 0.08 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.48 2f76 h LEU 31 N 0.08 0.86 -0.30 1.55 3.38 -1.40 0.14 115.31 119.61 2f76 h LEU 31 Ca 0.02 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2f76 h LEU 31 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2f76 h LEU 31 CO -0.01 0.96 0.15 0.25 0.09 0.00 0.00 178.44 179.89 2f76 h LEU 32 N 0.73 0.39 -0.45 1.67 5.85 -1.08 0.84 115.31 123.25 2f76 h LEU 32 Ca 0.14 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2f76 h LEU 32 Cb 0.52 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2f76 h LEU 32 CO 0.03 0.39 0.05 0.11 -0.34 0.00 0.00 178.44 178.68 2f76 h LYS 33 N 0.36 0.77 -0.65 1.25 1.57 -0.32 -2.61 116.57 116.94 2f76 h LYS 33 Ca 0.11 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2f76 h LYS 33 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2f76 h LYS 33 CO -0.01 0.80 0.40 0.35 -0.57 0.00 0.00 179.45 180.42 2f76 h PHE 34 N 0.62 0.85 -0.76 -1.35 3.57 -0.45 -1.71 116.94 117.71 2f76 h PHE 34 Ca 0.14 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.69 2f76 h PHE 34 Cb 0.42 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 2f76 h PHE 34 CO 0.03 0.56 0.45 0.35 -2.23 0.00 0.00 178.31 177.48 2f76 h PHE 35 N 0.88 0.84 -0.37 0.41 3.04 -0.68 -0.64 116.94 120.42 2f76 h PHE 35 Ca 0.24 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.16 2f76 h PHE 35 Cb -0.05 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.18 2f76 h PHE 35 CO -0.02 0.43 -0.01 -0.44 -2.02 0.00 0.00 178.31 176.25 2f76 h ASP 36 N 0.84 0.55 0.26 0.41 3.32 -1.05 -0.56 116.42 120.19 2f76 h ASP 36 Ca 0.33 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2f76 h ASP 36 Cb 0.15 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2f76 h ASP 36 CO -0.17 0.63 -0.13 0.15 -1.72 0.00 0.00 179.24 178.00 2f76 h PHE 37 N 0.55 -0.33 -0.05 4.55 3.04 -0.23 -0.16 116.94 124.32 2f76 h PHE 37 Ca 0.12 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.95 2f76 h PHE 37 Cb 0.37 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2f76 h PHE 37 CO 0.01 -0.20 -0.49 -0.24 -2.02 0.00 0.00 178.31 175.37 2f76 h VAL 38 N -0.36 1.35 -0.20 1.41 3.04 -1.34 -2.08 116.25 118.06 2f76 h VAL 38 Ca -0.04 -1.70 -0.02 0.00 -1.01 0.00 0.00 66.70 63.94 2f76 h VAL 38 Cb 0.28 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2f76 h VAL 38 CO 0.06 0.50 0.07 0.50 -1.01 0.00 0.00 177.57 177.68 2f76 h LYS 39 N 0.09 0.31 -0.15 4.17 3.64 -0.79 2.72 116.57 126.56 2f76 h LYS 39 Ca 0.00 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 2f76 h LYS 39 Cb 0.90 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2f76 h LYS 39 CO 0.07 0.40 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.74 2f76 h ASP 40 N 0.16 0.41 0.23 4.20 3.32 -0.97 -3.03 116.42 120.74 2f76 h ASP 40 Ca 0.07 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2f76 h ASP 40 Cb 0.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2f76 h ASP 40 CO -0.00 0.83 -0.80 0.35 -1.72 0.00 0.00 179.24 177.89 2f76 n THR 41 N -3.98 0.01 -3.28 0.35 -2.24 -0.79 -4.82 114.28 99.53 2f76 n THR 41 Ca -0.02 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.70 2f76 n THR 41 Cb 0.54 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 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 5.38 0.05 -1.40 0.00 -0.04 -1.22 -3.55 135.00 134.23 2f76 n PRO 43 Ca -0.02 0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2f76 n PRO 43 Cb 0.50 -1.57 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2f76 n PRO 43 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2f76 n TRP 44 N -1.65 -3.05 0.00 0.54 2.14 -1.26 -4.98 117.44 109.18 2f76 n TRP 44 Ca 0.05 -0.61 0.00 0.00 2.07 0.00 0.00 57.50 59.01 2f76 n TRP 44 Cb 0.28 -0.21 0.00 0.00 -0.81 0.00 0.00 31.31 30.57 2f76 n TRP 44 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 2f76 n PHE 45 N -1.68 0.00 -1.78 -2.67 7.35 -1.26 -4.91 117.46 112.52 2f76 n PHE 45 Ca 0.05 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.35 2f76 n PHE 45 Cb 0.19 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.05 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2f76 s PRO 46 N 0.00 3.51 -0.11 -7.13 0.02 -1.26 -4.78 135.00 125.25 2f76 s PRO 46 Ca 0.00 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 2f76 s PRO 46 Cb 0.00 -2.53 0.10 0.00 0.02 0.00 0.00 34.50 32.09 2f76 s PRO 46 CO 0.00 -0.95 0.84 -1.14 -0.33 0.00 0.00 177.00 175.42 2f76 s GLN 47 N -2.60 0.82 0.14 5.54 2.00 -1.26 -5.12 119.66 119.18 2f76 s GLN 47 Ca 0.64 0.21 0.08 0.00 -2.00 0.00 0.00 55.36 54.29 2f76 s GLN 47 Cb -0.43 0.39 -0.04 0.00 0.80 0.00 0.00 33.01 33.72 2f76 s GLN 47 CO 0.54 -0.25 -0.08 -1.21 -0.50 0.00 0.00 175.29 173.79 2f76 s GLU 48 N -1.12 2.17 0.00 1.67 2.02 -1.26 -4.59 118.70 117.59 2f76 s GLU 48 Ca -0.06 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 53.83 2f76 s GLU 48 Cb -0.00 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2f76 s GLU 48 CO 0.06 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2f76 n GLY 49 N 0.36 0.74 3.69 -1.39 0.00 -1.26 -4.98 105.19 102.35 2f76 n GLY 49 Ca -0.12 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2f76 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f76 s THR 50 N 0.00 2.50 -0.42 2.61 -4.23 -1.26 -4.75 115.64 110.09 2f76 s THR 50 Ca 0.00 0.16 -0.35 0.00 -1.18 0.00 0.00 61.69 60.33 2f76 s THR 50 Cb 0.00 -2.59 -0.15 0.00 1.34 0.00 0.00 72.50 71.10 2f76 s THR 50 CO 0.00 -0.21 1.73 -0.38 -0.54 0.00 0.00 174.62 175.22 2f76 n ILE 51 N -4.03 0.00 -0.21 2.99 5.41 -1.26 -4.77 119.36 117.49 2f76 n ILE 51 Ca 0.07 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.76 2f76 n ILE 51 Cb 0.55 -0.40 0.10 0.00 -0.71 0.00 0.00 39.64 39.18 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 7.31 0.97 -0.12 4.38 3.58 -1.85 -2.23 116.42 128.46 2f76 h ASP 52 Ca -0.08 -0.20 0.04 0.00 0.42 0.00 0.00 57.03 57.21 2f76 h ASP 52 Cb 1.13 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 2f76 h ASP 52 CO 0.88 0.94 0.10 0.40 -2.88 0.00 0.00 179.24 178.68 2f76 h ILE 53 N 0.98 0.79 -0.99 2.25 2.04 -1.88 -2.12 117.51 118.59 2f76 h ILE 53 Ca 0.21 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.31 2f76 h ILE 53 Cb 0.35 0.93 -0.13 0.00 -0.74 0.00 0.00 36.82 37.23 2f76 h ILE 53 CO 0.00 0.00 0.57 0.50 0.00 0.00 0.00 178.15 179.22 2f76 h LYS 54 N 0.00 0.53 -0.63 2.37 3.64 -1.75 0.71 116.57 121.45 2f76 h LYS 54 Ca 0.06 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2f76 h LYS 54 Cb 0.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2f76 h LYS 54 CO -0.00 0.35 0.03 0.00 -2.27 0.00 0.00 179.45 177.57 2f76 h ARG 55 N 0.55 1.08 0.10 1.90 3.08 -1.55 -0.52 114.38 119.02 2f76 h ARG 55 Ca 0.64 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2f76 h ARG 55 Cb 1.22 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2f76 h ARG 55 CO -0.49 1.03 -0.05 2.35 -1.07 0.00 0.00 179.97 181.75 2f76 h TRP 56 N 0.99 -0.12 -0.16 3.04 7.01 0.24 -2.71 115.95 124.25 2f76 h TRP 56 Ca 0.18 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 2f76 h TRP 56 Cb 0.52 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 2f76 h TRP 56 CO 0.04 0.06 -0.07 0.00 -2.79 0.00 0.00 178.44 175.68 2f76 h ARG 57 N -0.29 0.24 -0.44 2.65 2.47 -0.97 -2.72 114.38 115.32 2f76 h ARG 57 Ca -0.01 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2f76 h ARG 57 Cb 0.24 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 2f76 h ARG 57 CO 0.02 0.33 0.25 0.00 0.56 0.00 0.00 179.97 181.13 2f76 h ARG 58 N 0.23 0.50 -0.50 0.04 3.08 -0.78 0.42 114.38 117.36 2f76 h ARG 58 Ca 0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2f76 h ARG 58 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2f76 h ARG 58 CO 0.01 0.33 0.17 0.28 -1.07 0.00 0.00 179.97 179.69 2f76 h VAL 59 N 0.51 1.22 -0.16 2.04 2.07 -1.21 -0.56 116.25 120.16 2f76 h VAL 59 Ca 0.18 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2f76 h VAL 59 Cb 0.03 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2f76 h VAL 59 CO -0.09 0.27 0.04 1.23 0.02 0.00 0.00 177.57 179.04 2f76 h GLY 60 N 0.67 0.27 1.03 2.17 0.00 -1.19 -0.24 103.07 105.78 2f76 h GLY 60 Ca 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2f76 h GLY 60 CO -0.01 0.16 0.35 -0.55 0.00 0.00 0.00 176.54 176.49 2f76 h ASP 61 N 0.06 1.03 0.57 0.19 3.32 -0.09 0.58 116.42 122.08 2f76 h ASP 61 Ca 0.05 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2f76 h ASP 61 Cb 0.26 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2f76 h ASP 61 CO 0.00 0.89 -0.28 0.00 -1.72 0.00 0.00 179.24 178.13 2f76 h PHE 63 N -1.13 1.17 -0.95 0.00 0.04 -1.04 -1.56 116.94 113.48 2f76 h PHE 63 Ca -0.08 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.87 2f76 h PHE 63 Cb 0.63 -0.39 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 2f76 h PHE 63 CO 0.01 0.71 0.60 0.37 -0.60 0.00 0.00 178.31 179.40 2f76 h GLN 64 N 1.24 0.74 -0.26 1.51 -0.00 0.17 0.72 115.11 119.23 2f76 h GLN 64 Ca 0.36 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.97 2f76 h GLN 64 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.21 2f76 h GLN 64 CO -0.09 0.49 0.15 0.22 0.00 0.00 0.00 178.83 179.60 2f76 h ASP 65 N 0.77 0.23 -0.09 -0.69 1.82 -0.83 0.28 116.42 117.92 2f76 h ASP 65 Ca 0.49 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.99 2f76 h ASP 65 Cb 0.73 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.70 2f76 h ASP 65 CO -0.25 0.17 -0.49 0.22 -1.61 0.00 0.00 179.24 177.28 2f76 h TYR 66 N 0.31 0.66 -0.23 0.28 3.20 -1.06 -2.60 116.97 117.52 2f76 h TYR 66 Ca 0.10 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 2f76 h TYR 66 Cb 0.00 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2f76 h TYR 66 CO -0.08 1.07 0.14 -0.92 -1.64 0.00 0.00 178.16 176.73 2f76 h TYR 67 N 0.06 0.30 -0.59 -3.82 3.20 0.51 0.22 116.97 116.85 2f76 h TYR 67 Ca -0.04 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2f76 h TYR 67 Cb 1.14 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2f76 h TYR 67 CO 0.12 0.23 0.19 -0.91 -1.64 0.00 0.00 178.16 176.15 2f76 h ASN 68 N 0.28 0.86 -0.41 -2.11 -0.26 -0.43 -0.11 115.58 113.41 2f76 h ASN 68 Ca 0.08 -0.21 -0.03 0.00 -0.56 0.00 0.00 56.30 55.59 2f76 h ASN 68 Cb 0.02 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 2f76 h ASN 68 CO -0.02 0.84 0.15 0.74 -1.06 0.00 0.00 177.43 178.09 2f76 h THR 69 N 0.84 1.20 -0.55 2.81 2.02 -1.21 -2.88 112.91 115.13 2f76 h THR 69 Ca 0.19 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2f76 h THR 69 Cb 0.28 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2f76 h THR 69 CO -0.01 0.23 0.31 0.15 0.37 0.00 0.00 175.52 176.58 2f76 h PHE 70 N 0.52 0.74 0.00 3.16 3.57 -0.31 -3.48 116.94 121.14 2f76 h PHE 70 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2f76 h PHE 70 Cb 0.21 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2f76 h PHE 70 CO 0.00 0.53 0.00 0.41 -2.23 0.00 0.00 178.31 177.02 2f76 n GLY 71 N -1.07 -0.03 3.46 2.40 0.00 -0.08 -5.09 105.19 104.79 2f76 n GLY 71 Ca 0.03 0.20 -0.51 0.00 0.00 0.00 0.00 46.02 45.74 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f76 n PRO 72 N 0.00 1.10 -0.12 1.61 -0.04 -1.13 -4.69 135.00 131.72 2f76 n PRO 72 Ca 0.00 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 2f76 n PRO 72 Cb 0.00 -2.42 0.31 0.00 -0.04 0.00 0.00 33.50 31.35 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2f76 n GLU 73 N 7.94 1.81 -0.23 0.54 0.28 -1.26 -3.28 120.64 126.44 2f76 n GLU 73 Ca 0.40 -1.23 0.20 0.00 -0.16 0.00 0.00 57.16 56.37 2f76 n GLU 73 Cb 0.22 -1.37 0.34 0.00 1.43 0.00 0.00 31.44 32.05 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 0.46 -0.02 -3.92 3.44 4.81 -1.26 -1.28 118.16 120.39 2f76 n LYS 74 Ca 0.15 0.65 -0.30 0.00 -0.87 0.00 0.00 58.31 57.95 2f76 n LYS 74 Cb 0.34 -1.26 -0.13 0.00 0.02 0.00 0.00 35.03 34.00 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 -4.51 2.78 0.71 3.15 -7.23 -1.26 -4.59 120.40 109.44 2f76 s VAL 75 Ca -0.04 -3.67 -0.16 0.00 -1.81 0.00 0.00 61.98 56.30 2f76 s VAL 75 Cb 0.16 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 34.24 2f76 s VAL 75 CO 0.41 -0.88 1.20 -2.65 -0.31 0.00 0.00 175.10 172.87 2f76 n PRO 76 N 2.69 0.72 0.22 4.82 -0.02 -0.40 -4.65 135.00 138.39 2f76 n PRO 76 Ca 0.11 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 2f76 n PRO 76 Cb 0.33 -2.44 0.52 0.00 -0.02 0.00 0.00 33.50 31.90 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2f76 h VAL 77 N -0.04 0.89 0.00 -1.45 3.04 -1.90 -2.81 116.25 113.99 2f76 h VAL 77 Ca -0.49 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 2f76 h VAL 77 Cb 1.33 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 2f76 h VAL 77 CO 0.50 0.24 0.15 0.35 -1.01 0.00 0.00 177.57 177.79 2f76 n THR 78 N -3.84 0.73 -0.33 3.17 -2.24 -1.26 -1.20 114.28 109.31 2f76 n THR 78 Ca -0.02 0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 62.06 2f76 n THR 78 Cb 0.33 -1.33 0.08 0.00 -2.10 0.00 0.00 70.33 67.31 2f76 n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h ALA 79 N 1.09 1.13 -0.19 6.98 0.00 -1.87 -1.78 119.26 124.62 2f76 h ALA 79 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2f76 h ALA 79 Cb 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2f76 h ALA 79 CO 0.00 0.65 0.05 0.35 0.00 0.00 0.00 179.25 180.30 2f76 h PHE 80 N 1.24 0.09 -0.60 0.00 3.57 -1.44 0.26 116.94 120.05 2f76 h PHE 80 Ca 0.31 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2f76 h PHE 80 Cb 0.05 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2f76 h PHE 80 CO 0.01 0.04 0.26 0.77 -2.23 0.00 0.00 178.31 177.16 2f76 h SER 81 N 0.14 0.82 -0.72 0.41 0.02 -1.71 -1.88 113.55 110.62 2f76 h SER 81 Ca 0.08 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2f76 h SER 81 Cb 0.07 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 2f76 h SER 81 CO -0.10 0.75 0.40 0.22 -1.14 0.00 0.00 176.83 176.95 2f76 h TYR 82 N 0.83 0.73 -0.12 3.45 3.20 -0.89 0.91 116.97 125.08 2f76 h TYR 82 Ca 0.20 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 2f76 h TYR 82 Cb 0.17 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2f76 h TYR 82 CO 0.01 0.33 -0.11 2.35 -1.64 0.00 0.00 178.16 179.09 2f76 h TRP 83 N 0.71 0.19 -0.65 -3.82 7.01 -0.49 -2.61 115.95 116.29 2f76 h TRP 83 Ca 0.33 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.38 2f76 h TRP 83 Cb 0.25 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.19 2f76 h TRP 83 CO -0.08 0.31 0.34 -0.97 -2.79 0.00 0.00 178.44 175.25 2f76 h ASN 84 N 0.18 0.48 -0.86 2.65 -0.73 -0.02 0.11 115.58 117.39 2f76 h ASN 84 Ca 0.04 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2f76 h ASN 84 Cb 0.32 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 2f76 h ASN 84 CO 0.02 0.30 0.42 -0.07 -0.37 0.00 0.00 177.43 177.74 2f76 h LEU 85 N 0.62 1.12 -0.56 0.34 -0.00 -1.33 -2.50 115.31 113.00 2f76 h LEU 85 Ca 0.30 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 2f76 h LEU 85 Cb 0.24 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 2f76 h LEU 85 CO -0.21 0.94 0.22 0.40 -0.00 0.00 0.00 178.44 179.79 2f76 h ILE 86 N 1.23 1.22 -0.69 1.22 2.04 -1.04 -2.06 117.51 119.43 2f76 h ILE 86 Ca 0.30 -0.71 0.14 0.00 1.00 0.00 0.00 64.86 65.59 2f76 h ILE 86 Cb 0.11 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 36.72 2f76 h ILE 86 CO -0.04 0.27 0.18 0.11 0.00 0.00 0.00 178.15 178.68 2f76 h LYS 87 N 0.78 0.29 -0.46 2.37 1.57 -0.41 0.25 116.57 120.97 2f76 h LYS 87 Ca 0.19 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 2f76 h LYS 87 Cb 0.21 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2f76 h LYS 87 CO -0.01 0.19 -0.12 0.93 -0.57 0.00 0.00 179.45 179.86 2f76 h GLU 88 N 0.30 0.84 -0.09 3.15 5.08 -1.32 -0.38 114.58 122.16 2f76 h GLU 88 Ca 0.38 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2f76 h GLU 88 Cb 0.61 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2f76 h GLU 88 CO -0.45 0.92 0.04 1.25 -1.00 0.00 0.00 179.01 179.77 2f76 h LEU 89 N 0.75 0.12 -0.44 1.33 5.85 0.09 -1.90 115.31 121.11 2f76 h LEU 89 Ca 0.12 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 2f76 h LEU 89 Cb 0.63 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2f76 h LEU 89 CO 0.04 0.22 -0.36 0.40 -0.34 0.00 0.00 178.44 178.40 2f76 h ILE 90 N 0.01 1.27 -0.85 4.05 2.04 -0.82 -3.07 117.51 120.15 2f76 h ILE 90 Ca 0.03 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.38 2f76 h ILE 90 Cb 0.13 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2f76 h ILE 90 CO -0.00 0.51 0.55 0.44 0.00 0.00 0.00 178.15 179.65 2f76 h ASP 91 N 0.75 0.92 -0.78 1.72 3.32 -0.96 -2.07 116.42 119.31 2f76 h ASP 91 Ca 0.07 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2f76 h ASP 91 Cb 0.94 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 2f76 h ASP 91 CO 0.09 0.64 0.35 0.11 -1.72 0.00 0.00 179.24 178.71 2f76 h LYS 92 N 1.08 1.15 -0.97 3.56 1.57 -1.29 -2.48 116.57 119.19 2f76 h LYS 92 Ca 0.33 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2f76 h LYS 92 Cb -0.03 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.02 2f76 h LYS 92 CO -0.10 0.91 0.63 0.87 -0.57 0.00 0.00 179.45 181.18 2f76 h LYS 93 N 1.13 1.14 0.00 3.15 1.57 -1.29 -3.44 116.57 118.83 2f76 h LYS 93 Ca 0.27 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2f76 h LYS 93 Cb 0.16 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2f76 h LYS 93 CO -0.03 0.75 0.00 0.39 -0.57 0.00 0.00 179.45 180.00 2f76 n GLU 94 N -4.50 0.00 -4.22 3.15 1.02 -0.94 -4.81 120.64 110.35 2f76 n GLU 94 Ca 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 2f76 n GLU 94 Cb 0.14 -3.62 -0.10 0.00 -0.02 0.00 0.00 31.44 27.84 2f76 n GLU 94 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2f76 s VAL 95 N -0.87 0.64 -0.51 2.62 -7.23 -1.26 -5.11 120.40 108.68 2f76 s VAL 95 Ca 0.00 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2f76 s VAL 95 Cb 0.00 -2.00 0.20 0.00 0.56 0.00 0.00 36.38 35.14 2f76 s VAL 95 CO 0.00 -0.58 0.48 -0.46 -0.31 0.00 0.00 175.10 174.23 2f76 n ASN 96 N -0.18 1.14 -0.11 4.85 0.23 -1.26 -4.96 115.26 114.97 2f76 n ASN 96 Ca -0.08 -2.80 0.12 0.00 -0.53 0.00 0.00 54.58 51.29 2f76 n ASN 96 Cb 0.63 -0.64 0.48 0.00 -2.08 0.00 0.00 39.78 38.17 2f76 n ASN 96 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2f76 h PRO 97 N 5.02 0.44 -4.73 -0.53 0.11 -1.99 -3.42 132.00 126.90 2f76 h PRO 97 Ca 0.19 -0.03 -0.44 0.00 0.11 0.00 0.00 66.00 65.83 2f76 h PRO 97 Cb 0.83 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.75 2f76 h PRO 97 CO 0.54 0.29 1.73 1.04 -0.21 0.00 0.00 178.00 181.40 2f76 n GLN 98 N -4.47 0.00 -4.85 1.05 6.02 -1.26 -4.85 117.38 109.01 2f76 n GLN 98 Ca 0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.77 2f76 n GLN 98 Cb 0.39 -1.30 -0.15 0.00 1.02 0.00 0.00 30.24 30.20 2f76 n GLN 98 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2f76 s VAL 99 N 6.36 2.74 -2.61 5.09 1.01 -1.26 -5.27 120.40 126.45 2f76 s VAL 99 Ca 1.28 -0.77 0.21 0.00 0.00 0.00 0.00 61.98 62.70 2f76 s VAL 99 Cb -1.09 -2.13 0.17 0.00 0.00 0.00 0.00 36.38 33.32 2f76 s VAL 99 CO 0.48 0.53 1.16 0.23 0.00 0.00 0.00 175.10 177.51