#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 1.41 -5.88 3.03 0.00 -2.10 -3.40 103.07 96.13 2f76 h GLY 2 Ca 0.00 -0.53 -0.66 0.00 0.00 0.00 0.00 47.33 46.14 2f76 h GLY 2 CO 0.00 0.52 -0.77 1.20 0.00 0.00 0.00 176.54 177.49 2f76 s GLN 3 N -6.11 3.33 0.21 4.80 -0.21 -1.26 -5.01 119.66 115.42 2f76 s GLN 3 Ca -0.13 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 54.49 2f76 s GLN 3 Cb 0.18 -2.69 0.16 0.00 1.00 0.00 0.00 33.01 31.66 2f76 s GLN 3 CO 0.82 0.09 1.66 1.49 -2.12 0.00 0.00 175.29 177.23 2f76 h GLU 4 N 7.09 0.93 -5.26 2.91 4.81 -2.11 -3.41 114.58 119.53 2f76 h GLU 4 Ca -0.30 -0.31 -0.62 0.00 -0.13 0.00 0.00 59.36 58.00 2f76 h GLU 4 Cb 1.20 -0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.33 2f76 h GLU 4 CO 0.57 0.96 -0.58 -1.17 -0.73 0.00 0.00 179.01 178.06 2f76 s LEU 5 N -9.16 3.70 0.16 1.64 2.96 -1.26 -4.91 118.68 111.81 2f76 s LEU 5 Ca -0.10 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2f76 s LEU 5 Cb 0.14 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2f76 s LEU 5 CO 0.84 0.16 0.01 -0.94 -1.32 0.00 0.00 176.35 175.10 2f76 s SER 6 N 0.46 1.03 0.40 3.68 1.04 -1.26 -5.04 113.70 114.00 2f76 s SER 6 Ca 0.02 -1.17 0.11 0.00 0.48 0.00 0.00 55.95 55.39 2f76 s SER 6 Cb -0.13 0.15 0.81 0.00 0.10 0.00 0.00 66.02 66.96 2f76 s SER 6 CO 0.01 -0.60 1.91 -0.61 0.98 0.00 0.00 173.24 174.93 2f76 h GLN 7 N 2.74 0.12 -0.49 4.02 4.15 -1.99 -2.50 115.11 121.17 2f76 h GLN 7 Ca -0.36 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 58.94 2f76 h GLN 7 Cb 1.20 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2f76 h GLN 7 CO 0.62 0.33 -0.02 1.25 -1.93 0.00 0.00 178.83 179.08 2f76 h HIS 8 N 0.11 0.95 -0.68 3.99 2.76 -2.00 -1.90 115.15 118.39 2f76 h HIS 8 Ca 0.02 -0.17 -0.07 0.00 -2.20 0.00 0.00 60.37 57.95 2f76 h HIS 8 Cb 0.44 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 2f76 h HIS 8 CO 0.00 0.91 0.15 0.93 -1.30 0.00 0.00 177.93 178.62 2f76 h GLU 9 N 0.73 1.08 -0.57 5.26 5.08 -1.89 -2.64 114.58 121.63 2f76 h GLU 9 Ca 0.14 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2f76 h GLU 9 Cb 0.54 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2f76 h GLU 9 CO 0.03 0.96 0.09 0.00 -1.00 0.00 0.00 179.01 179.09 2f76 h ARG 10 N 1.02 0.92 -0.10 2.33 3.08 -1.27 -1.20 114.38 119.16 2f76 h ARG 10 Ca 0.21 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2f76 h ARG 10 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2f76 h ARG 10 CO 0.00 0.86 0.02 -0.92 -1.07 0.00 0.00 179.97 178.86 2f76 h TYR 11 N 0.87 0.03 -0.29 3.04 3.20 -0.99 -1.51 116.97 121.31 2f76 h TYR 11 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2f76 h TYR 11 Cb 0.39 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2f76 h TYR 11 CO 0.02 0.01 0.08 0.28 -1.64 0.00 0.00 178.16 176.92 2f76 h VAL 12 N 0.06 1.21 -0.98 1.81 2.07 -1.36 -2.68 116.25 116.38 2f76 h VAL 12 Ca 0.04 -0.67 0.19 0.00 0.82 0.00 0.00 66.70 67.09 2f76 h VAL 12 Cb 0.04 1.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 2f76 h VAL 12 CO -0.06 0.22 0.58 -0.08 0.02 0.00 0.00 177.57 178.25 2f76 h GLU 13 N 0.31 0.69 -0.49 1.57 4.81 -0.95 0.18 114.58 120.69 2f76 h GLU 13 Ca 0.09 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2f76 h GLU 13 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2f76 h GLU 13 CO -0.00 0.45 0.11 1.96 -0.73 0.00 0.00 179.01 180.81 2f76 h GLN 14 N 0.71 0.79 -0.58 1.92 4.20 -0.98 -2.48 115.11 118.69 2f76 h GLN 14 Ca 0.57 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 2f76 h GLN 14 Cb 0.91 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2f76 h GLN 14 CO -0.40 0.77 0.24 -0.07 -0.67 0.00 0.00 178.83 178.70 2f76 h LEU 15 N 0.67 0.79 -0.38 1.46 3.38 -0.50 -2.68 115.31 118.06 2f76 h LEU 15 Ca 0.15 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2f76 h LEU 15 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2f76 h LEU 15 CO 0.00 0.74 0.13 0.11 0.09 0.00 0.00 178.44 179.51 2f76 h LYS 16 N 0.79 0.27 -0.36 1.13 1.57 -0.57 0.40 116.57 119.80 2f76 h LYS 16 Ca 0.19 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2f76 h LYS 16 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2f76 h LYS 16 CO -0.02 0.18 0.19 1.96 -0.57 0.00 0.00 179.45 181.20 2f76 h GLN 17 N 0.28 0.39 0.13 3.15 1.08 -1.23 0.61 115.11 119.51 2f76 h GLN 17 Ca 0.17 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2f76 h GLN 17 Cb 0.16 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2f76 h GLN 17 CO -0.18 0.26 -0.06 0.00 -0.95 0.00 0.00 178.83 177.89 2f76 h ALA 18 N 1.18 -0.18 -0.64 3.87 0.00 -1.13 -2.95 119.26 119.41 2f76 h ALA 18 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2f76 h ALA 18 Cb 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2f76 h ALA 18 CO -0.09 -0.34 0.19 -0.07 0.00 0.00 0.00 179.25 178.95 2f76 h LEU 19 N -0.71 0.94 -0.90 0.00 4.07 -0.20 -2.88 115.31 115.63 2f76 h LEU 19 Ca -0.02 -0.21 0.09 0.00 0.08 0.00 0.00 57.88 57.82 2f76 h LEU 19 Cb 0.52 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 41.94 2f76 h LEU 19 CO 0.03 0.90 0.55 0.50 -1.08 0.00 0.00 178.44 179.34 2f76 h LYS 20 N 0.92 0.91 0.00 1.13 3.64 0.15 0.39 116.57 123.71 2f76 h LYS 20 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2f76 h LYS 20 Cb 0.30 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2f76 h LYS 20 CO -0.01 0.60 0.00 0.25 -2.27 0.00 0.00 179.45 178.03 2f76 n THR 21 N -4.65 1.12 1.06 1.00 -2.24 -1.09 -0.63 114.28 108.85 2f76 n THR 21 Ca 0.15 0.55 0.11 0.00 -2.27 0.00 0.00 64.05 62.60 2f76 n THR 21 Cb 0.25 -1.52 0.09 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.11 1.01 0.00 -0.78 1.74 0.13 -4.93 116.66 111.73 2f76 n ARG 22 Ca -0.00 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 2f76 n ARG 22 Cb 0.08 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.41 1.68 3.33 -0.13 0.00 0.20 -5.01 105.19 106.67 2f76 n GLY 23 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 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 5.22 -0.56 1.61 1.01 -0.97 -4.98 120.40 119.74 2f76 s VAL 24 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.48 2f76 s VAL 24 Cb 0.00 -4.28 0.14 0.00 0.00 0.00 0.00 36.38 32.24 2f76 s VAL 24 CO 0.00 -0.78 0.49 -0.54 0.00 0.00 0.00 175.10 174.26 2f76 s LYS 25 N 1.62 2.90 0.18 2.72 1.02 -1.26 -3.81 119.74 123.11 2f76 s LYS 25 Ca 0.03 -1.84 0.02 0.00 0.02 0.00 0.00 55.97 54.20 2f76 s LYS 25 Cb -0.28 -4.19 -0.05 0.00 -0.52 0.00 0.00 37.83 32.79 2f76 s LYS 25 CO 0.04 -1.28 0.01 0.14 -0.92 0.00 0.00 175.35 173.34 2f76 s VAL 26 N 1.31 0.66 0.27 3.17 -7.23 -1.26 -5.04 120.40 112.29 2f76 s VAL 26 Ca 0.06 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2f76 s VAL 26 Cb -0.26 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2f76 s VAL 26 CO 0.00 -0.43 0.46 -0.54 -0.31 0.00 0.00 175.10 174.28 2f76 s LYS 27 N -3.93 3.50 0.22 4.82 1.02 -1.26 -5.00 119.74 119.11 2f76 s LYS 27 Ca 0.25 -0.38 -0.09 0.00 0.02 0.00 0.00 55.97 55.77 2f76 s LYS 27 Cb 0.06 -2.76 0.21 0.00 -0.52 0.00 0.00 37.83 34.82 2f76 s LYS 27 CO 0.05 0.29 1.88 1.88 -0.92 0.00 0.00 175.35 178.53 2f76 h TYR 28 N 1.34 0.99 -0.36 3.18 -1.99 -2.00 -1.64 116.97 116.49 2f76 h TYR 28 Ca -0.49 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.22 2f76 h TYR 28 Cb 1.21 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.59 2f76 h TYR 28 CO 0.52 0.60 0.03 0.00 -0.00 0.00 0.00 178.16 179.31 2f76 h ALA 29 N 1.32 1.39 0.44 3.88 0.00 -1.96 0.27 119.26 124.59 2f76 h ALA 29 Ca 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2f76 h ALA 29 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2f76 h ALA 29 CO -0.09 0.43 -0.21 0.22 0.00 0.00 0.00 179.25 179.60 2f76 h ASP 30 N 0.53 -0.50 -0.06 0.00 3.58 -1.62 0.20 116.42 118.53 2f76 h ASP 30 Ca 0.12 0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 2f76 h ASP 30 Cb 0.29 0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.48 2f76 h ASP 30 CO 0.01 -0.35 -0.86 -0.07 -2.88 0.00 0.00 179.24 175.08 2f76 h LEU 31 N -0.60 0.86 -0.35 2.28 3.38 -1.44 -0.91 115.31 118.53 2f76 h LEU 31 Ca -0.06 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 2f76 h LEU 31 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2f76 h LEU 31 CO 0.10 1.43 0.20 0.25 0.09 0.00 0.00 178.44 180.51 2f76 h LEU 32 N 0.37 0.44 -0.23 1.67 5.85 -0.46 0.55 115.31 123.50 2f76 h LEU 32 Ca -0.09 -0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.34 2f76 h LEU 32 Cb 1.51 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.43 2f76 h LEU 32 CO 0.17 0.40 -0.66 0.11 -0.34 0.00 0.00 178.44 178.12 2f76 h LYS 33 N 0.45 0.84 -0.57 1.25 1.57 -0.68 -2.70 116.57 116.72 2f76 h LYS 33 Ca 0.12 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2f76 h LYS 33 Cb 0.05 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2f76 h LYS 33 CO -0.02 1.23 0.37 0.35 -0.57 0.00 0.00 179.45 180.80 2f76 h PHE 34 N 0.61 0.73 -0.30 -1.35 3.57 -0.93 -1.26 116.94 118.01 2f76 h PHE 34 Ca -0.02 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2f76 h PHE 34 Cb 1.28 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2f76 h PHE 34 CO 0.08 0.48 -0.01 0.74 -2.23 0.00 0.00 178.31 177.37 2f76 h PHE 35 N 0.77 0.47 -0.14 0.41 0.04 -0.90 -1.69 116.94 115.91 2f76 h PHE 35 Ca 0.21 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.85 2f76 h PHE 35 Cb -0.06 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 2f76 h PHE 35 CO -0.03 0.48 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.42 2f76 h ASP 36 N 0.44 0.27 0.31 2.17 3.32 -0.99 0.13 116.42 122.08 2f76 h ASP 36 Ca 0.10 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2f76 h ASP 36 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2f76 h ASP 36 CO 0.01 0.56 -0.15 0.15 -1.72 0.00 0.00 179.24 178.09 2f76 h PHE 37 N 0.23 -0.39 -0.11 4.55 3.04 -0.31 0.78 116.94 124.74 2f76 h PHE 37 Ca 0.03 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 2f76 h PHE 37 Cb 0.65 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2f76 h PHE 37 CO 0.01 -0.12 -0.60 -0.24 -2.02 0.00 0.00 178.31 175.34 2f76 h VAL 38 N -0.61 1.36 -0.36 1.41 3.04 -1.48 -2.97 116.25 116.64 2f76 h VAL 38 Ca -0.04 -1.92 -0.07 0.00 -1.01 0.00 0.00 66.70 63.65 2f76 h VAL 38 Cb 0.44 1.93 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 2f76 h VAL 38 CO 0.07 0.58 -0.07 0.11 -1.01 0.00 0.00 177.57 177.25 2f76 h LYS 39 N 0.27 0.61 -0.17 4.17 1.79 -0.67 3.24 116.57 125.80 2f76 h LYS 39 Ca -0.00 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2f76 h LYS 39 Cb 1.12 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 2f76 h LYS 39 CO 0.10 0.68 0.10 -0.44 -1.08 0.00 0.00 179.45 178.81 2f76 h ASP 40 N 0.56 0.21 0.00 0.86 3.32 -0.68 -3.34 116.42 117.35 2f76 h ASP 40 Ca 0.11 -0.06 -0.30 0.00 0.02 0.00 0.00 57.03 56.80 2f76 h ASP 40 Cb 0.47 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2f76 h ASP 40 CO 0.02 0.21 -1.72 0.41 -1.72 0.00 0.00 179.24 176.45 2f76 n THR 41 N -4.93 1.52 -4.10 0.35 -1.04 -1.13 -5.00 114.28 99.96 2f76 n THR 41 Ca -0.04 -0.14 -0.45 0.00 -2.04 0.00 0.00 64.05 61.38 2f76 n THR 41 Cb 0.06 -2.02 0.01 0.00 -1.82 0.00 0.00 70.33 66.56 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f76 h PRO 43 N -2.42 0.13 0.00 0.00 0.13 -1.95 -3.47 132.00 124.42 2f76 h PRO 43 Ca -0.69 -0.11 -0.14 0.00 -0.87 0.00 0.00 66.00 64.19 2f76 h PRO 43 Cb 1.36 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 2f76 h PRO 43 CO 0.51 0.76 -0.13 -2.67 -0.23 0.00 0.00 178.00 176.25 2f76 n TRP 44 N -3.78 -0.33 0.00 1.56 2.14 -1.26 -5.04 117.44 110.74 2f76 n TRP 44 Ca -0.02 -0.86 0.00 0.00 2.07 0.00 0.00 57.50 58.69 2f76 n TRP 44 Cb 0.67 0.10 0.00 0.00 -0.81 0.00 0.00 31.31 31.28 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 -0.20 0.00 -1.87 -2.67 7.35 -1.26 -4.96 117.46 113.85 2f76 n PHE 45 Ca 0.02 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.32 2f76 n PHE 45 Cb 0.19 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.04 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 3.48 0.18 -7.13 0.02 -1.26 -4.81 135.00 125.48 2f76 s PRO 46 Ca 0.00 2.24 -0.09 0.00 0.02 0.00 0.00 61.00 63.18 2f76 s PRO 46 Cb 0.00 -2.47 -0.01 0.00 0.02 0.00 0.00 34.50 32.04 2f76 s PRO 46 CO 0.00 -0.92 0.30 -0.65 -0.33 0.00 0.00 177.00 175.40 2f76 s GLN 47 N -2.65 1.22 -0.13 5.54 -0.21 -1.26 -5.01 119.66 117.15 2f76 s GLN 47 Ca 0.65 -1.23 -0.04 0.00 0.02 0.00 0.00 55.36 54.76 2f76 s GLN 47 Cb -0.40 0.38 0.06 0.00 1.00 0.00 0.00 33.01 34.05 2f76 s GLN 47 CO 0.50 -0.45 0.18 -1.21 -2.12 0.00 0.00 175.29 172.18 2f76 s GLU 48 N -4.00 0.09 0.00 2.91 2.02 -1.26 -4.82 118.70 113.65 2f76 s GLU 48 Ca 0.20 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.58 2f76 s GLU 48 Cb 0.03 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.54 2f76 s GLU 48 CO 0.03 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.26 2f76 n GLY 49 N 5.32 0.66 3.17 -1.39 0.00 -1.26 -5.00 105.19 106.70 2f76 n GLY 49 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.70 0.42 0.13 2.61 -4.23 -1.26 -5.11 115.64 105.50 2f76 s THR 50 Ca 0.00 -1.92 -0.31 0.00 -1.18 0.00 0.00 61.69 58.28 2f76 s THR 50 Cb 0.00 -1.90 -0.11 0.00 1.34 0.00 0.00 72.50 71.83 2f76 s THR 50 CO 0.00 -0.64 1.82 -0.38 -0.54 0.00 0.00 174.62 174.87 2f76 n ILE 51 N -0.09 0.30 -0.04 2.99 5.41 -1.26 -4.87 119.36 121.80 2f76 n ILE 51 Ca -0.09 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.60 2f76 n ILE 51 Cb 0.62 -2.09 0.27 0.00 -0.71 0.00 0.00 39.64 37.74 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 8.23 0.58 0.82 4.38 1.82 -1.94 -1.43 116.42 128.89 2f76 h ASP 52 Ca -0.46 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 2f76 h ASP 52 Cb 1.22 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2f76 h ASP 52 CO 0.95 0.61 0.00 0.40 -1.61 0.00 0.00 179.24 179.59 2f76 h ILE 53 N 0.60 0.00 -0.61 2.25 2.04 -1.89 -3.19 117.51 116.71 2f76 h ILE 53 Ca 0.13 -0.38 0.12 0.00 1.00 0.00 0.00 64.86 65.73 2f76 h ILE 53 Cb 0.29 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 2f76 h ILE 53 CO 0.00 0.00 0.10 0.50 0.00 0.00 0.00 178.15 178.75 2f76 h LYS 54 N 0.00 0.21 -0.55 2.37 3.64 -1.63 0.11 116.57 120.73 2f76 h LYS 54 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2f76 h LYS 54 Cb 0.41 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2f76 h LYS 54 CO 0.00 0.14 0.09 0.00 -2.27 0.00 0.00 179.45 177.41 2f76 h ARG 55 N 0.22 0.87 -0.29 1.90 3.08 -1.72 -0.19 114.38 118.25 2f76 h ARG 55 Ca 0.32 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2f76 h ARG 55 Cb 0.50 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2f76 h ARG 55 CO -0.44 0.81 0.14 2.35 -1.07 0.00 0.00 179.97 181.76 2f76 h TRP 56 N 0.83 0.42 -0.32 3.04 7.01 -1.01 -2.24 115.95 123.68 2f76 h TRP 56 Ca 0.17 -0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.99 2f76 h TRP 56 Cb 0.37 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 2f76 h TRP 56 CO 0.02 0.38 -0.44 0.00 -2.79 0.00 0.00 178.44 175.61 2f76 h ARG 57 N 0.33 0.81 -0.73 2.65 2.47 -1.01 -2.78 114.38 116.12 2f76 h ARG 57 Ca 0.10 -0.45 0.08 0.00 -1.26 0.00 0.00 59.98 58.45 2f76 h ARG 57 Cb 0.12 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 2f76 h ARG 57 CO -0.01 1.08 0.39 0.00 0.56 0.00 0.00 179.97 181.99 2f76 h ARG 58 N 0.65 0.67 -0.55 0.04 3.08 -0.87 0.62 114.38 118.02 2f76 h ARG 58 Ca 0.04 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2f76 h ARG 58 Cb 1.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2f76 h ARG 58 CO 0.10 0.44 0.14 0.28 -1.07 0.00 0.00 179.97 179.86 2f76 h VAL 59 N 0.69 1.25 -0.05 2.04 2.07 -1.33 -2.38 116.25 118.53 2f76 h VAL 59 Ca 0.34 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2f76 h VAL 59 Cb 0.30 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2f76 h VAL 59 CO -0.23 0.32 -0.01 1.23 0.02 0.00 0.00 177.57 178.90 2f76 h GLY 60 N 0.79 0.10 0.12 2.17 0.00 -0.97 -0.36 103.07 104.92 2f76 h GLY 60 Ca 0.17 -0.08 0.18 0.00 0.00 0.00 0.00 47.33 47.60 2f76 h GLY 60 CO 0.00 0.07 0.52 -0.55 0.00 0.00 0.00 176.54 176.58 2f76 h ASP 61 N -0.25 0.63 0.25 0.19 3.32 0.28 1.76 116.42 122.61 2f76 h ASP 61 Ca 0.01 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2f76 h ASP 61 Cb 0.39 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2f76 h ASP 61 CO 0.00 0.22 -0.12 0.00 -1.72 0.00 0.00 179.24 177.62 2f76 h PHE 63 N -0.95 0.33 -0.94 0.00 0.04 -0.57 -2.58 116.94 112.27 2f76 h PHE 63 Ca -0.03 -0.02 0.18 0.00 2.80 0.00 0.00 57.97 60.90 2f76 h PHE 63 Cb 0.48 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.45 2f76 h PHE 63 CO 0.05 0.32 0.60 1.96 -0.60 0.00 0.00 178.31 180.64 2f76 h GLN 64 N 0.24 0.61 -0.30 1.51 4.20 0.26 0.88 115.11 122.51 2f76 h GLN 64 Ca 0.08 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2f76 h GLN 64 Cb 0.12 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2f76 h GLN 64 CO -0.01 0.41 0.18 -0.44 -0.67 0.00 0.00 178.83 178.29 2f76 h ASP 65 N 0.63 0.37 0.02 1.46 3.32 -1.16 0.38 116.42 121.43 2f76 h ASP 65 Ca 0.50 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 57.24 2f76 h ASP 65 Cb 0.92 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 40.40 2f76 h ASP 65 CO -0.25 0.32 -0.97 0.22 -1.72 0.00 0.00 179.24 176.84 2f76 h TYR 66 N 0.38 0.95 -0.04 4.55 3.20 -0.93 -1.56 116.97 123.51 2f76 h TYR 66 Ca 0.11 -0.53 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 2f76 h TYR 66 Cb 0.03 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2f76 h TYR 66 CO -0.04 1.36 0.02 1.88 -1.64 0.00 0.00 178.16 179.74 2f76 h TYR 67 N 0.26 0.06 -0.25 -3.82 -1.99 0.82 0.36 116.97 112.40 2f76 h TYR 67 Ca -0.13 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.52 2f76 h TYR 67 Cb 1.64 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 40.35 2f76 h TYR 67 CO 0.12 0.18 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.40 2f76 h ASN 68 N -0.09 0.57 0.02 3.88 -0.26 -0.03 0.23 115.58 119.90 2f76 h ASN 68 Ca 0.01 -0.43 -0.00 0.00 -0.56 0.00 0.00 56.30 55.33 2f76 h ASN 68 Cb 0.15 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2f76 h ASN 68 CO -0.00 0.87 -0.01 0.74 -1.06 0.00 0.00 177.43 177.97 2f76 h THR 69 N 0.27 1.09 -0.60 2.81 2.02 -1.23 -3.04 112.91 114.24 2f76 h THR 69 Ca 0.05 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2f76 h THR 69 Cb 0.67 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 2f76 h THR 69 CO 0.04 0.09 0.27 0.15 0.37 0.00 0.00 175.52 176.45 2f76 h PHE 70 N -0.19 0.89 0.00 3.16 3.57 -0.31 -3.48 116.94 120.58 2f76 h PHE 70 Ca -0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2f76 h PHE 70 Cb 0.18 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2f76 h PHE 70 CO -0.02 0.69 0.00 0.41 -2.23 0.00 0.00 178.31 177.16 2f76 n GLY 71 N -0.89 -0.01 3.28 2.40 0.00 -0.10 -5.08 105.19 104.80 2f76 n GLY 71 Ca 0.04 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.11 1.61 -0.02 -0.25 -4.57 135.00 131.66 2f76 n PRO 72 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2f76 n PRO 72 Cb 0.00 -1.43 0.33 0.00 -0.02 0.00 0.00 33.50 32.38 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 7.90 1.83 -0.32 -0.52 0.28 -1.26 -2.72 120.64 125.83 2f76 n GLU 73 Ca 0.61 -1.26 0.29 0.00 -0.16 0.00 0.00 57.16 56.64 2f76 n GLU 73 Cb 0.02 -1.39 0.54 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 0.48 -0.06 -3.93 3.44 4.81 -1.26 -2.70 118.16 118.94 2f76 n LYS 74 Ca 0.16 1.39 -0.30 0.00 -0.87 0.00 0.00 58.31 58.69 2f76 n LYS 74 Cb 0.36 -2.44 -0.14 0.00 0.02 0.00 0.00 35.03 32.82 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 -5.59 2.44 0.44 3.15 -7.23 -1.26 -4.42 120.40 107.93 2f76 s VAL 75 Ca -0.10 -3.18 -0.25 0.00 -1.81 0.00 0.00 61.98 56.64 2f76 s VAL 75 Cb 0.33 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.48 2f76 s VAL 75 CO 0.77 -0.80 1.41 -2.65 -0.31 0.00 0.00 175.10 173.53 2f76 n PRO 76 N 3.23 2.23 0.24 4.82 -0.02 -1.10 -4.57 135.00 139.83 2f76 n PRO 76 Ca 0.05 0.79 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 2f76 n PRO 76 Cb 0.33 -2.60 0.48 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.29 0.35 0.00 -1.45 3.04 -1.93 -3.15 116.25 115.41 2f76 h VAL 77 Ca -0.50 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.22 2f76 h VAL 77 Cb 1.27 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 2f76 h VAL 77 CO 0.61 0.15 0.43 0.35 -1.01 0.00 0.00 177.57 178.10 2f76 n THR 78 N -3.27 0.47 0.25 3.17 -2.24 -1.26 -0.13 114.28 111.26 2f76 n THR 78 Ca 0.01 0.66 0.17 0.00 -2.27 0.00 0.00 64.05 62.61 2f76 n THR 78 Cb 0.41 -1.66 0.89 0.00 -2.10 0.00 0.00 70.33 67.88 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 0.68 1.63 -0.05 6.98 0.00 -1.94 -1.98 119.26 124.58 2f76 h ALA 79 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f76 h ALA 79 Cb 0.87 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2f76 h ALA 79 CO 0.00 -0.21 0.02 0.35 0.00 0.00 0.00 179.25 179.42 2f76 h PHE 80 N 0.00 0.07 0.16 0.00 3.04 -0.85 0.13 116.94 119.50 2f76 h PHE 80 Ca 0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 2f76 h PHE 80 Cb 0.35 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.84 2f76 h PHE 80 CO 0.00 0.16 -0.08 0.66 -2.02 0.00 0.00 178.31 177.03 2f76 h SER 81 N -0.04 -0.18 -0.29 0.41 4.64 -1.59 -2.23 113.55 114.26 2f76 h SER 81 Ca 0.02 -0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2f76 h SER 81 Cb 0.12 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2f76 h SER 81 CO -0.00 -0.01 0.19 1.88 -0.87 0.00 0.00 176.83 178.01 2f76 h TYR 82 N -0.34 0.34 -0.20 4.77 0.05 -1.51 -0.06 116.97 120.02 2f76 h TYR 82 Ca -0.02 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 2f76 h TYR 82 Cb 0.27 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 2f76 h TYR 82 CO -0.03 0.21 -0.13 2.35 -1.05 0.00 0.00 178.16 179.51 2f76 h TRP 83 N 0.37 0.34 -0.97 4.88 7.01 -0.33 -2.33 115.95 124.92 2f76 h TRP 83 Ca 0.11 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.11 2f76 h TRP 83 Cb -0.01 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 26.90 2f76 h TRP 83 CO -0.00 0.45 0.63 -0.97 -2.79 0.00 0.00 178.44 175.75 2f76 h ASN 84 N 0.30 1.02 -0.83 2.65 -1.24 -0.41 -0.14 115.58 116.92 2f76 h ASN 84 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2f76 h ASN 84 Cb 0.42 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 2f76 h ASN 84 CO 0.02 0.68 0.43 -0.07 -1.29 0.00 0.00 177.43 177.20 2f76 h LEU 85 N 1.18 1.07 -0.53 0.34 -0.00 -1.40 -2.42 115.31 113.54 2f76 h LEU 85 Ca 0.40 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 58.12 2f76 h LEU 85 Cb 0.08 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.44 2f76 h LEU 85 CO -0.15 0.88 0.14 0.40 -0.00 0.00 0.00 178.44 179.72 2f76 h ILE 86 N 1.18 1.24 -0.75 1.22 2.04 -0.98 -2.61 117.51 118.86 2f76 h ILE 86 Ca 0.29 -0.84 0.17 0.00 1.00 0.00 0.00 64.86 65.48 2f76 h ILE 86 Cb 0.08 0.78 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 2f76 h ILE 86 CO -0.04 0.31 0.10 0.11 0.00 0.00 0.00 178.15 178.63 2f76 h LYS 87 N 0.74 0.18 -0.24 2.37 1.57 -0.61 0.54 116.57 121.11 2f76 h LYS 87 Ca 0.17 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2f76 h LYS 87 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2f76 h LYS 87 CO -0.00 0.12 -0.21 0.93 -0.57 0.00 0.00 179.45 179.71 2f76 h GLU 88 N 0.18 0.44 0.05 3.15 5.08 -1.39 0.59 114.58 122.69 2f76 h GLU 88 Ca 0.42 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2f76 h GLU 88 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2f76 h GLU 88 CO -0.59 0.63 -0.02 1.25 -1.00 0.00 0.00 179.01 179.28 2f76 h LEU 89 N 0.40 -0.06 -0.20 1.33 5.85 0.36 -0.75 115.31 122.24 2f76 h LEU 89 Ca 0.06 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.37 2f76 h LEU 89 Cb 0.60 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2f76 h LEU 89 CO 0.04 0.25 -0.39 0.40 -0.34 0.00 0.00 178.44 178.40 2f76 h ILE 90 N -0.37 1.33 -0.12 4.05 2.04 -0.97 -1.26 117.51 122.21 2f76 h ILE 90 Ca -0.01 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.25 2f76 h ILE 90 Cb 0.33 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2f76 h ILE 90 CO 0.01 0.50 0.03 0.44 0.00 0.00 0.00 178.15 179.13 2f76 h ASP 91 N 0.31 0.02 -0.62 1.72 3.32 -0.92 0.39 116.42 120.64 2f76 h ASP 91 Ca 0.01 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2f76 h ASP 91 Cb 0.99 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2f76 h ASP 91 CO 0.09 0.03 0.13 0.11 -1.72 0.00 0.00 179.24 177.88 2f76 h LYS 92 N 0.09 1.01 -0.61 3.56 1.57 -1.17 -2.92 116.57 118.10 2f76 h LYS 92 Ca 0.05 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2f76 h LYS 92 Cb 0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2f76 h LYS 92 CO -0.07 0.93 0.24 -0.22 -0.57 0.00 0.00 179.45 179.76 2f76 h LYS 93 N 0.93 0.92 0.00 3.15 3.64 -0.81 -2.27 116.57 122.14 2f76 h LYS 93 Ca 0.19 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2f76 h LYS 93 Cb 0.39 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2f76 h LYS 93 CO 0.01 0.79 0.70 1.49 -2.27 0.00 0.00 179.45 180.17 2f76 h GLU 94 N 0.86 0.00 -5.00 1.90 4.81 -0.02 -3.38 114.58 113.75 2f76 h GLU 94 Ca 0.20 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.12 2f76 h GLU 94 Cb 0.22 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.45 2f76 h GLU 94 CO -0.01 0.00 -0.71 0.14 -0.73 0.00 0.00 179.01 177.69 2f76 s VAL 95 N -3.53 1.08 0.54 0.32 -7.23 -0.85 -5.09 120.40 105.65 2f76 s VAL 95 Ca -0.01 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2f76 s VAL 95 Cb 0.02 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2f76 s VAL 95 CO 0.06 -0.76 0.00 0.59 -0.31 0.00 0.00 175.10 174.68 2f76 n ASN 96 N -0.14 -6.76 -4.77 4.85 4.13 -1.26 -4.84 115.26 106.47 2f76 n ASN 96 Ca -0.11 1.29 -0.34 0.00 1.68 0.00 0.00 54.58 57.11 2f76 n ASN 96 Cb 0.60 -4.53 0.03 0.00 -1.54 0.00 0.00 39.78 34.35 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2f76 s PRO 97 N -4.54 2.95 -0.08 3.52 0.04 -1.26 -4.87 135.00 130.75 2f76 s PRO 97 Ca 0.00 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2f76 s PRO 97 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2f76 s PRO 97 CO 0.00 -1.15 1.51 -1.14 0.04 0.00 0.00 177.00 176.27 2f76 s GLN 98 N -3.86 4.20 0.28 4.56 0.74 -1.26 -4.89 119.66 119.44 2f76 s GLN 98 Ca 0.69 2.01 0.04 0.00 0.05 0.00 0.00 55.36 58.15 2f76 s GLN 98 Cb -0.22 -3.88 0.42 0.00 1.10 0.00 0.00 33.01 30.44 2f76 s GLN 98 CO 0.37 -0.78 1.70 -0.24 -0.55 0.00 0.00 175.29 175.79 2f76 h VAL 99 N 5.49 1.29 -0.00 1.34 3.04 -1.98 -3.55 116.25 121.88 2f76 h VAL 99 Ca -0.35 -1.42 0.00 0.00 -1.01 0.00 0.00 66.70 63.92 2f76 h VAL 99 Cb 1.15 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 2f76 h VAL 99 CO 0.96 0.44 0.00 0.23 -1.01 0.00 0.00 177.57 178.18