#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 0.80 0.97 3.03 0.00 -2.05 -0.57 103.07 105.25 2f76 h GLY 2 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 2f76 h GLY 2 CO 0.00 0.53 0.14 1.46 0.00 0.00 0.00 176.54 178.67 2f76 h GLN 3 N 0.68 0.79 -0.29 4.80 4.20 -2.10 -3.04 115.11 120.14 2f76 h GLN 3 Ca 0.12 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2f76 h GLN 3 Cb 0.54 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2f76 h GLN 3 CO 0.03 0.75 -0.23 0.93 -0.67 0.00 0.00 178.83 179.64 2f76 h GLU 4 N 0.68 0.68 -5.27 1.46 4.39 -2.07 -3.43 114.58 111.01 2f76 h GLU 4 Ca 0.16 -0.34 -0.63 0.00 0.34 0.00 0.00 59.36 58.89 2f76 h GLU 4 Cb 0.30 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.63 2f76 h GLU 4 CO -0.00 0.94 -0.86 -1.17 -1.16 0.00 0.00 179.01 176.76 2f76 s LEU 5 N -9.05 1.96 0.13 1.33 2.96 -0.24 -5.09 118.68 110.69 2f76 s LEU 5 Ca -0.13 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 2f76 s LEU 5 Cb 0.09 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 2f76 s LEU 5 CO 0.82 0.15 0.14 -0.94 -1.32 0.00 0.00 176.35 175.19 2f76 s SER 6 N 0.28 0.22 0.50 3.68 1.04 -1.24 -4.16 113.70 114.02 2f76 s SER 6 Ca -0.13 -1.00 0.23 0.00 0.48 0.00 0.00 55.95 55.53 2f76 s SER 6 Cb -0.16 0.34 1.32 0.00 0.10 0.00 0.00 66.02 67.62 2f76 s SER 6 CO 0.06 -0.77 2.06 1.56 0.98 0.00 0.00 173.24 177.13 2f76 h GLN 7 N 2.78 0.00 -0.37 4.02 1.08 -2.00 -2.06 115.11 118.55 2f76 h GLN 7 Ca -0.34 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.81 2f76 h GLN 7 Cb 1.20 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 2f76 h GLN 7 CO 0.56 0.14 -0.00 0.45 -0.95 0.00 0.00 178.83 179.02 2f76 h HIS 8 N 0.00 0.61 -0.41 2.96 3.86 -1.99 -1.33 115.15 118.85 2f76 h HIS 8 Ca -0.00 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 2f76 h HIS 8 Cb 0.31 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2f76 h HIS 8 CO 0.00 0.59 -0.16 0.93 0.86 0.00 0.00 177.93 180.15 2f76 h GLU 9 N 0.56 0.76 -0.35 2.45 5.08 -1.79 -2.02 114.58 119.27 2f76 h GLU 9 Ca 0.12 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 2f76 h GLU 9 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2f76 h GLU 9 CO 0.01 0.87 -0.33 0.00 -1.00 0.00 0.00 179.01 178.56 2f76 h ARG 10 N 0.68 0.83 0.31 2.33 3.08 -1.41 -1.37 114.38 118.84 2f76 h ARG 10 Ca 0.11 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2f76 h ARG 10 Cb 0.64 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2f76 h ARG 10 CO 0.04 1.07 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.95 2f76 h TYR 11 N 0.62 -0.39 -0.20 3.04 3.20 -1.08 -0.58 116.97 121.59 2f76 h TYR 11 Ca 0.06 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2f76 h TYR 11 Cb 0.91 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2f76 h TYR 11 CO 0.07 -0.23 -0.05 -0.24 -1.64 0.00 0.00 178.16 176.07 2f76 h VAL 12 N -0.45 1.16 -0.51 1.81 3.04 -1.41 -2.22 116.25 117.66 2f76 h VAL 12 Ca -0.04 -0.64 -0.10 0.00 -1.01 0.00 0.00 66.70 64.91 2f76 h VAL 12 Cb 0.34 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.66 2f76 h VAL 12 CO 0.07 0.21 -0.08 -0.08 -1.01 0.00 0.00 177.57 176.68 2f76 h GLU 13 N 0.29 0.92 -0.63 4.17 4.81 -0.85 -2.49 114.58 120.79 2f76 h GLU 13 Ca 0.06 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2f76 h GLU 13 Cb 0.28 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2f76 h GLU 13 CO 0.01 0.96 0.18 1.96 -0.73 0.00 0.00 179.01 181.39 2f76 h GLN 14 N 0.83 0.98 -0.66 1.92 4.20 -0.50 -2.54 115.11 119.33 2f76 h GLN 14 Ca 0.14 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2f76 h GLN 14 Cb 0.60 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2f76 h GLN 14 CO 0.04 0.85 0.27 -0.07 -0.67 0.00 0.00 178.83 179.26 2f76 h LEU 15 N 0.94 0.91 -0.19 1.46 3.38 -1.21 -2.89 115.31 117.69 2f76 h LEU 15 Ca 0.21 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2f76 h LEU 15 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2f76 h LEU 15 CO -0.00 0.82 -0.01 0.11 0.09 0.00 0.00 178.44 179.45 2f76 h LYS 16 N 0.93 0.05 -0.08 1.13 1.57 -1.04 0.29 116.57 119.43 2f76 h LYS 16 Ca 0.22 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2f76 h LYS 16 Cb 0.19 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 2f76 h LYS 16 CO -0.02 0.04 -0.21 1.96 -0.57 0.00 0.00 179.45 180.65 2f76 h GLN 17 N 0.05 -0.28 0.13 3.15 1.08 -1.31 1.05 115.11 118.98 2f76 h GLN 17 Ca 0.09 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2f76 h GLN 17 Cb 0.12 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2f76 h GLN 17 CO -0.16 -0.18 -0.06 0.00 -0.95 0.00 0.00 178.83 177.48 2f76 h ALA 18 N 0.67 -0.17 -0.26 3.87 0.00 -1.32 -2.99 119.26 119.06 2f76 h ALA 18 Ca 0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2f76 h ALA 18 Cb 0.41 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2f76 h ALA 18 CO -0.25 -0.40 -0.15 -0.07 0.00 0.00 0.00 179.25 178.39 2f76 h LEU 19 N -0.57 0.42 -1.26 0.00 4.07 -0.34 -2.71 115.31 114.92 2f76 h LEU 19 Ca -0.02 -0.11 0.02 0.00 0.08 0.00 0.00 57.88 57.85 2f76 h LEU 19 Cb 0.45 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.03 2f76 h LEU 19 CO 0.03 0.60 0.50 0.50 -1.08 0.00 0.00 178.44 178.99 2f76 h LYS 20 N 0.40 0.97 0.00 1.13 3.64 0.11 0.85 116.57 123.68 2f76 h LYS 20 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2f76 h LYS 20 Cb 0.50 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2f76 h LYS 20 CO 0.03 0.64 0.00 0.25 -2.27 0.00 0.00 179.45 178.10 2f76 n THR 21 N -4.43 0.98 1.06 1.00 -2.24 -1.02 -1.79 114.28 107.84 2f76 n THR 21 Ca 0.09 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 2f76 n THR 21 Cb 0.06 -1.03 0.10 0.00 -2.10 0.00 0.00 70.33 67.35 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 -1.64 0.65 0.00 -0.78 5.12 0.26 -4.92 116.66 115.34 2f76 n ARG 22 Ca 0.03 -0.48 0.00 0.00 -1.93 0.00 0.00 57.85 55.47 2f76 n ARG 22 Cb 0.18 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 1.43 1.78 3.69 -0.13 0.00 -0.74 -4.96 105.19 106.26 2f76 n GLY 23 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 5.05 -0.35 1.61 1.01 -1.00 -5.00 120.40 119.72 2f76 s VAL 24 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2f76 s VAL 24 Cb 0.00 -3.27 0.13 0.00 0.00 0.00 0.00 36.38 33.24 2f76 s VAL 24 CO 0.00 0.48 0.19 -0.75 0.00 0.00 0.00 175.10 175.01 2f76 s LYS 25 N 0.18 0.61 0.12 2.72 2.20 -1.26 -4.11 119.74 120.20 2f76 s LYS 25 Ca 0.06 -1.25 0.02 0.00 -0.36 0.00 0.00 55.97 54.44 2f76 s LYS 25 Cb -0.12 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 34.66 2f76 s LYS 25 CO -0.00 -1.14 -0.03 0.14 -0.36 0.00 0.00 175.35 173.95 2f76 s VAL 26 N 1.22 0.65 0.53 4.02 -7.23 -1.26 -5.15 120.40 113.18 2f76 s VAL 26 Ca 0.15 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2f76 s VAL 26 Cb -0.21 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 2f76 s VAL 26 CO -0.09 -0.72 0.83 -0.54 -0.31 0.00 0.00 175.10 174.27 2f76 s LYS 27 N -3.88 3.24 0.25 4.82 1.02 -1.26 -4.98 119.74 118.95 2f76 s LYS 27 Ca 0.17 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.16 2f76 s LYS 27 Cb 0.06 -2.34 0.25 0.00 -0.52 0.00 0.00 37.83 35.27 2f76 s LYS 27 CO -0.02 -0.42 1.92 1.88 -0.92 0.00 0.00 175.35 177.79 2f76 h TYR 28 N 0.06 1.27 0.00 3.18 -1.99 -2.00 -1.27 116.97 116.22 2f76 h TYR 28 Ca -0.46 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.27 2f76 h TYR 28 Cb 1.23 -0.42 -0.00 0.00 2.00 0.00 0.00 36.73 39.53 2f76 h TYR 28 CO 0.53 0.81 -0.08 0.00 -0.00 0.00 0.00 178.16 179.42 2f76 h ALA 29 N 1.35 1.72 0.26 3.88 0.00 -1.97 0.51 119.26 125.01 2f76 h ALA 29 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2f76 h ALA 29 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2f76 h ALA 29 CO -0.07 0.10 -0.12 0.22 0.00 0.00 0.00 179.25 179.37 2f76 h ASP 30 N 0.00 -0.29 0.01 0.00 1.82 -1.60 -2.37 116.42 113.99 2f76 h ASP 30 Ca -0.00 -0.24 -0.17 0.00 -0.39 0.00 0.00 57.03 56.23 2f76 h ASP 30 Cb 0.15 0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.25 2f76 h ASP 30 CO 0.01 0.15 -0.68 -0.07 -1.61 0.00 0.00 179.24 177.04 2f76 h LEU 31 N -0.83 0.57 -0.07 2.28 3.38 -1.38 -2.05 115.31 117.21 2f76 h LEU 31 Ca -0.04 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.18 2f76 h LEU 31 Cb 0.51 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2f76 h LEU 31 CO 0.06 1.28 -0.05 0.25 0.09 0.00 0.00 178.44 180.07 2f76 h LEU 32 N -0.07 -0.15 -0.49 1.67 5.85 -0.11 0.19 115.31 122.20 2f76 h LEU 32 Ca -0.09 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 2f76 h LEU 32 Cb 1.39 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2f76 h LEU 32 CO 0.13 -0.07 -0.21 0.11 -0.34 0.00 0.00 178.44 178.07 2f76 h LYS 33 N -0.05 1.01 -0.87 1.25 1.57 -1.54 -2.87 116.57 115.07 2f76 h LYS 33 Ca 0.05 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 2f76 h LYS 33 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2f76 h LYS 33 CO -0.10 1.11 0.50 0.35 -0.57 0.00 0.00 179.45 180.74 2f76 h PHE 34 N 0.87 1.18 -0.55 -1.35 3.57 -1.00 -1.33 116.94 118.32 2f76 h PHE 34 Ca 0.11 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2f76 h PHE 34 Cb 0.79 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2f76 h PHE 34 CO 0.05 0.80 0.27 0.74 -2.23 0.00 0.00 178.31 177.94 2f76 h PHE 35 N 1.21 0.76 0.00 0.41 0.04 -0.51 -0.94 116.94 117.92 2f76 h PHE 35 Ca 0.31 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.00 2f76 h PHE 35 Cb -0.01 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 2f76 h PHE 35 CO 0.00 0.56 -0.28 -0.44 -0.60 0.00 0.00 178.31 177.55 2f76 h ASP 36 N 0.78 0.00 0.18 2.17 3.32 -1.14 -2.87 116.42 118.85 2f76 h ASP 36 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2f76 h ASP 36 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2f76 h ASP 36 CO -0.03 0.28 -0.08 0.15 -1.72 0.00 0.00 179.24 177.84 2f76 h PHE 37 N 0.00 -0.22 -0.59 4.55 3.04 -0.08 0.11 116.94 123.75 2f76 h PHE 37 Ca -0.00 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 2f76 h PHE 37 Cb 0.93 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 2f76 h PHE 37 CO 0.00 0.04 -0.04 -0.24 -2.02 0.00 0.00 178.31 176.05 2f76 h VAL 38 N -0.46 1.27 -0.24 1.41 3.04 -1.57 -2.58 116.25 117.13 2f76 h VAL 38 Ca -0.02 -1.20 -0.06 0.00 -1.01 0.00 0.00 66.70 64.41 2f76 h VAL 38 Cb 0.35 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2f76 h VAL 38 CO 0.04 0.43 -0.10 0.11 -1.01 0.00 0.00 177.57 177.04 2f76 h LYS 39 N 0.96 0.38 0.08 4.17 1.57 -1.44 4.44 116.57 126.74 2f76 h LYS 39 Ca 0.16 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2f76 h LYS 39 Cb 0.60 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2f76 h LYS 39 CO 0.04 0.49 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.93 2f76 h ASP 40 N 0.36 -0.09 0.10 0.86 3.32 -0.43 -2.85 116.42 117.69 2f76 h ASP 40 Ca 0.07 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2f76 h ASP 40 Cb 0.40 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2f76 h ASP 40 CO 0.02 0.21 -0.95 0.35 -1.72 0.00 0.00 179.24 177.15 2f76 n THR 41 N -5.00 0.00 -3.21 0.35 -2.24 -1.00 -4.70 114.28 98.48 2f76 n THR 41 Ca -0.08 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 2f76 n THR 41 Cb 0.18 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h PRO 43 N 5.82 0.00 -6.94 0.00 0.11 -1.51 -3.13 132.00 126.34 2f76 h PRO 43 Ca 0.16 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.78 2f76 h PRO 43 Cb 1.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.13 2f76 h PRO 43 CO 0.23 0.08 0.43 1.67 -0.21 0.00 0.00 178.00 180.19 2f76 s TRP 44 N -4.65 3.28 -0.36 0.65 -2.14 -1.26 -4.91 118.94 109.56 2f76 s TRP 44 Ca -0.04 1.64 0.13 0.00 2.66 0.00 0.00 56.10 60.49 2f76 s TRP 44 Cb 0.15 -3.17 0.41 0.00 -3.10 0.00 0.00 33.47 27.76 2f76 s TRP 44 CO 0.63 -0.69 1.40 0.34 -2.66 0.00 0.00 176.95 175.97 2f76 n PHE 45 N 0.09 -1.76 -1.08 1.66 7.35 -1.26 -4.94 117.46 117.52 2f76 n PHE 45 Ca 0.04 -1.90 -0.34 0.00 -0.76 0.00 0.00 57.45 54.49 2f76 n PHE 45 Cb 0.49 1.31 0.01 0.00 0.35 0.00 0.00 39.48 41.64 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 -1.01 0.00 -4.35 -7.13 -0.02 -1.26 -4.98 135.00 116.25 2f76 n PRO 46 Ca -0.08 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.18 2f76 n PRO 46 Cb 0.86 -0.86 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 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 -0.86 1.09 0.39 -0.52 -0.21 -1.26 -4.81 119.66 113.48 2f76 s GLN 47 Ca 0.49 -0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.66 2f76 s GLN 47 Cb -0.46 -1.00 -0.01 0.00 1.00 0.00 0.00 33.01 32.54 2f76 s GLN 47 CO 0.56 0.01 0.11 0.39 -2.12 0.00 0.00 175.29 174.24 2f76 n GLU 48 N 3.73 0.66 -0.04 2.91 1.02 -1.26 -5.06 120.64 122.60 2f76 n GLU 48 Ca -0.23 -3.17 -0.11 0.00 -0.02 0.00 0.00 57.16 53.64 2f76 n GLU 48 Cb 0.52 1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 33.46 2f76 n GLU 48 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2f76 h GLY 49 N 1.41 0.26 -1.17 0.62 0.00 -2.04 -3.43 103.07 98.72 2f76 h GLY 49 Ca -0.30 -0.14 -0.49 0.00 0.00 0.00 0.00 47.33 46.40 2f76 h GLY 49 CO 0.49 0.13 0.35 -0.51 0.00 0.00 0.00 176.54 177.00 2f76 s THR 50 N -5.56 3.52 -0.49 4.70 -4.23 -1.26 -4.89 115.64 107.44 2f76 s THR 50 Ca -0.14 0.35 -0.37 0.00 -1.18 0.00 0.00 61.69 60.35 2f76 s THR 50 Cb 0.07 -3.47 -0.15 0.00 1.34 0.00 0.00 72.50 70.29 2f76 s THR 50 CO 0.70 -0.58 2.24 -0.38 -0.54 0.00 0.00 174.62 176.06 2f76 n ILE 51 N -2.90 0.08 0.52 2.99 5.41 -1.26 -4.74 119.36 119.47 2f76 n ILE 51 Ca 0.06 -0.16 0.06 0.00 1.00 0.00 0.00 62.75 63.71 2f76 n ILE 51 Cb 0.57 -1.15 -0.08 0.00 -0.71 0.00 0.00 39.64 38.27 2f76 n ILE 51 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2f76 n ASP 52 N 9.40 0.78 0.27 4.38 -0.08 -1.26 -4.39 116.55 125.64 2f76 n ASP 52 Ca 0.49 -0.70 0.14 0.00 -1.51 0.00 0.00 54.79 53.21 2f76 n ASP 52 Cb 0.12 1.08 0.73 0.00 2.34 0.00 0.00 41.12 45.39 2f76 n ASP 52 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2f76 h ILE 53 N 0.00 0.43 -1.12 5.18 2.04 -1.87 -2.90 117.51 119.27 2f76 h ILE 53 Ca 0.00 -0.56 0.31 0.00 1.00 0.00 0.00 64.86 65.61 2f76 h ILE 53 Cb 0.34 1.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.71 2f76 h ILE 53 CO 0.00 0.11 0.73 0.50 0.00 0.00 0.00 178.15 179.49 2f76 h LYS 54 N 0.00 0.27 -0.65 2.37 3.64 -1.97 0.66 116.57 120.88 2f76 h LYS 54 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2f76 h LYS 54 Cb 0.38 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2f76 h LYS 54 CO 0.01 0.18 0.26 -0.09 -2.27 0.00 0.00 179.45 177.54 2f76 h ARG 55 N 0.28 0.98 0.02 1.90 2.43 -1.85 0.25 114.38 118.38 2f76 h ARG 55 Ca 0.64 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2f76 h ARG 55 Cb 1.84 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 2f76 h ARG 55 CO -0.29 0.82 -0.01 2.35 -1.51 0.00 0.00 179.97 181.34 2f76 h TRP 56 N 0.92 -0.02 -0.32 2.20 7.01 0.09 -2.44 115.95 123.39 2f76 h TRP 56 Ca 0.22 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 2f76 h TRP 56 Cb 0.21 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 2f76 h TRP 56 CO 0.01 0.25 0.12 0.00 -2.79 0.00 0.00 178.44 176.03 2f76 h ARG 57 N -0.29 0.45 -0.59 2.65 2.47 -1.20 -2.10 114.38 115.78 2f76 h ARG 57 Ca -0.00 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2f76 h ARG 57 Cb 0.28 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 2f76 h ARG 57 CO 0.00 0.39 0.37 -0.09 0.56 0.00 0.00 179.97 181.20 2f76 h ARG 58 N 0.45 0.73 -0.39 0.04 2.43 -0.19 0.27 114.38 117.72 2f76 h ARG 58 Ca 0.11 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2f76 h ARG 58 Cb 0.11 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2f76 h ARG 58 CO -0.01 0.48 0.07 0.28 -1.51 0.00 0.00 179.97 179.28 2f76 h VAL 59 N 0.75 1.24 0.14 0.20 2.07 -0.92 -2.28 116.25 117.44 2f76 h VAL 59 Ca 0.23 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2f76 h VAL 59 Cb -0.03 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2f76 h VAL 59 CO -0.08 0.29 -0.07 1.23 0.02 0.00 0.00 177.57 178.96 2f76 h GLY 60 N 0.49 -0.20 0.11 2.17 0.00 -1.03 0.11 103.07 104.72 2f76 h GLY 60 Ca 0.12 0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.70 2f76 h GLY 60 CO 0.01 -0.07 0.45 -0.55 0.00 0.00 0.00 176.54 176.38 2f76 h ASP 61 N -0.42 0.52 0.39 0.19 3.32 -0.46 1.05 116.42 121.01 2f76 h ASP 61 Ca -0.02 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2f76 h ASP 61 Cb 0.33 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2f76 h ASP 61 CO 0.03 0.18 -0.19 0.00 -1.72 0.00 0.00 179.24 177.54 2f76 h PHE 63 N -1.12 0.47 -0.93 0.00 0.04 -0.47 -1.99 116.94 112.94 2f76 h PHE 63 Ca -0.05 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.79 2f76 h PHE 63 Cb 0.44 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 2f76 h PHE 63 CO 0.01 0.25 0.60 1.96 -0.60 0.00 0.00 178.31 180.54 2f76 h GLN 64 N 0.50 1.05 -0.38 1.51 4.20 0.10 0.41 115.11 122.50 2f76 h GLN 64 Ca 0.19 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.91 2f76 h GLN 64 Cb 0.05 -0.24 -0.06 0.00 0.30 0.00 0.00 27.48 27.53 2f76 h GLN 64 CO -0.11 0.69 -0.03 0.22 -0.67 0.00 0.00 178.83 178.94 2f76 h ASP 65 N 1.08 -0.22 0.11 1.46 1.82 -0.86 0.67 116.42 120.48 2f76 h ASP 65 Ca 0.40 0.10 -0.22 0.00 -0.39 0.00 0.00 57.03 56.91 2f76 h ASP 65 Cb 0.17 0.18 0.02 0.00 0.68 0.00 0.00 39.33 40.38 2f76 h ASP 65 CO -0.15 -0.07 -0.92 1.88 -1.61 0.00 0.00 179.24 178.37 2f76 h TYR 66 N 0.07 0.72 -0.17 0.28 0.05 -1.31 -2.73 116.97 113.88 2f76 h TYR 66 Ca 0.18 -0.47 0.01 0.00 0.05 0.00 0.00 58.73 58.51 2f76 h TYR 66 Cb 0.27 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2f76 h TYR 66 CO -0.28 1.33 0.07 1.88 -1.05 0.00 0.00 178.16 180.11 2f76 h TYR 67 N -0.09 0.14 -0.76 4.88 -1.99 0.09 0.26 116.97 119.49 2f76 h TYR 67 Ca -0.15 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.53 2f76 h TYR 67 Cb 1.67 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 40.33 2f76 h TYR 67 CO 0.16 0.08 0.25 -0.91 -0.00 0.00 0.00 178.16 177.74 2f76 h ASN 68 N 0.16 1.09 -0.25 3.88 2.35 0.44 0.12 115.58 123.37 2f76 h ASN 68 Ca 0.07 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2f76 h ASN 68 Cb 0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2f76 h ASN 68 CO -0.06 1.00 0.08 0.74 -1.65 0.00 0.00 177.43 177.54 2f76 h THR 69 N 1.12 1.20 -0.48 2.81 2.02 -1.12 -3.06 112.91 115.41 2f76 h THR 69 Ca 0.25 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2f76 h THR 69 Cb 0.29 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2f76 h THR 69 CO -0.01 0.21 0.08 -0.26 0.37 0.00 0.00 175.52 175.90 2f76 h PHE 70 N 0.24 0.84 0.00 3.16 0.04 -0.30 -3.48 116.94 117.44 2f76 h PHE 70 Ca 0.08 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2f76 h PHE 70 Cb 0.24 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2f76 h PHE 70 CO 0.01 0.78 0.00 0.41 -0.60 0.00 0.00 178.31 178.91 2f76 n GLY 71 N -0.52 1.43 3.51 -1.45 0.00 0.28 -5.09 105.19 103.35 2f76 n GLY 71 Ca 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 0.22 -0.09 1.61 -0.02 -0.41 -4.71 135.00 131.60 2f76 n PRO 72 Ca 0.00 -0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.51 2f76 n PRO 72 Cb 0.00 -1.88 0.35 0.00 -0.02 0.00 0.00 33.50 31.95 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 7.79 1.86 -0.25 -0.52 0.28 -1.26 -3.01 120.64 125.53 2f76 n GLU 73 Ca 0.60 -1.30 0.14 0.00 -0.16 0.00 0.00 57.16 56.45 2f76 n GLU 73 Cb 0.18 -1.42 0.27 0.00 1.43 0.00 0.00 31.44 31.90 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 0.53 -0.06 -3.87 3.44 4.81 -1.26 -2.17 118.16 119.59 2f76 n LYS 74 Ca 0.17 1.09 -0.32 0.00 -0.87 0.00 0.00 58.31 58.38 2f76 n LYS 74 Cb 0.38 -1.78 -0.12 0.00 0.02 0.00 0.00 35.03 33.53 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 -5.53 3.01 0.59 3.15 -7.23 -1.26 -4.76 120.40 108.36 2f76 s VAL 75 Ca -0.09 -3.38 -0.19 0.00 -1.81 0.00 0.00 61.98 56.51 2f76 s VAL 75 Cb 0.23 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2f76 s VAL 75 CO 0.58 -0.86 0.99 -2.65 -0.31 0.00 0.00 175.10 172.85 2f76 n PRO 76 N 3.02 0.97 0.24 4.82 -0.02 -0.92 -4.78 135.00 138.33 2f76 n PRO 76 Ca 0.08 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 2f76 n PRO 76 Cb 0.34 -2.19 0.60 0.00 -0.02 0.00 0.00 33.50 32.23 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2f76 h VAL 77 N 0.60 0.61 0.00 -1.45 -1.51 -1.91 -2.84 116.25 109.75 2f76 h VAL 77 Ca -0.48 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 2f76 h VAL 77 Cb 1.36 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 2f76 h VAL 77 CO 0.52 0.18 0.57 0.71 -1.23 0.00 0.00 177.57 178.31 2f76 h THR 78 N 0.00 0.00 -0.17 7.19 1.35 -2.01 0.45 112.91 119.72 2f76 h THR 78 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 2f76 h THR 78 Cb 0.51 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 2f76 h THR 78 CO 0.02 0.00 0.15 0.00 -0.25 0.00 0.00 175.52 175.44 2f76 h ALA 79 N 0.60 1.97 -0.08 6.62 0.00 -1.87 -2.05 119.26 124.45 2f76 h ALA 79 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2f76 h ALA 79 Cb 1.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2f76 h ALA 79 CO 0.00 -0.24 0.01 0.35 0.00 0.00 0.00 179.25 179.38 2f76 h PHE 80 N 0.00 0.02 -0.42 0.00 3.04 -0.37 0.20 116.94 119.41 2f76 h PHE 80 Ca 0.08 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 2f76 h PHE 80 Cb 0.38 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 2f76 h PHE 80 CO 0.00 0.01 0.18 0.66 -2.02 0.00 0.00 178.31 177.14 2f76 h SER 81 N 0.05 0.57 -0.78 0.41 4.64 -1.59 -2.25 113.55 114.60 2f76 h SER 81 Ca 0.03 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.28 2f76 h SER 81 Cb 0.03 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 2f76 h SER 81 CO -0.05 0.56 0.51 0.22 -0.87 0.00 0.00 176.83 177.21 2f76 h TYR 82 N 0.54 0.83 -0.08 4.77 3.20 -1.24 0.10 116.97 125.09 2f76 h TYR 82 Ca 0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2f76 h TYR 82 Cb 0.16 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2f76 h TYR 82 CO -0.00 0.42 -0.29 2.35 -1.64 0.00 0.00 178.16 179.00 2f76 h TRP 83 N 0.80 0.15 -0.92 -3.82 7.01 -0.40 -2.63 115.95 116.14 2f76 h TRP 83 Ca 0.35 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.36 2f76 h TRP 83 Cb 0.31 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.27 2f76 h TRP 83 CO -0.00 0.42 0.60 -0.97 -2.79 0.00 0.00 178.44 175.69 2f76 h ASN 84 N 0.12 0.98 -0.69 2.65 -1.24 -0.28 -0.90 115.58 116.23 2f76 h ASN 84 Ca 0.02 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 2f76 h ASN 84 Cb 0.58 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 2f76 h ASN 84 CO 0.04 0.67 0.33 -0.07 -1.29 0.00 0.00 177.43 177.11 2f76 h LEU 85 N 1.14 0.92 -0.45 0.34 -0.00 -1.36 -2.49 115.31 113.40 2f76 h LEU 85 Ca 0.37 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 58.12 2f76 h LEU 85 Cb 0.03 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.44 2f76 h LEU 85 CO -0.13 0.79 0.16 0.40 -0.00 0.00 0.00 178.44 179.65 2f76 h ILE 86 N 1.01 1.22 -0.67 1.22 2.04 -1.15 -2.35 117.51 118.82 2f76 h ILE 86 Ca 0.24 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.53 2f76 h ILE 86 Cb 0.12 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 36.89 2f76 h ILE 86 CO -0.03 0.26 -0.17 0.11 0.00 0.00 0.00 178.15 178.31 2f76 h LYS 87 N 0.59 -0.00 -0.39 2.37 1.57 -0.82 0.55 116.57 120.44 2f76 h LYS 87 Ca 0.15 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2f76 h LYS 87 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2f76 h LYS 87 CO -0.01 -0.00 0.01 0.93 -0.57 0.00 0.00 179.45 179.81 2f76 h GLU 88 N -0.00 0.61 -0.34 3.15 5.08 -1.42 1.44 114.58 123.10 2f76 h GLU 88 Ca 0.32 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2f76 h GLU 88 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2f76 h GLU 88 CO -0.69 0.63 0.06 1.25 -1.00 0.00 0.00 179.01 179.26 2f76 h LEU 89 N 0.58 0.54 0.16 1.33 5.85 0.48 -0.10 115.31 124.15 2f76 h LEU 89 Ca 0.12 -0.25 -0.34 0.00 0.84 0.00 0.00 57.88 58.25 2f76 h LEU 89 Cb 0.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2f76 h LEU 89 CO 0.01 0.66 -1.70 0.40 -0.34 0.00 0.00 178.44 177.47 2f76 h ILE 90 N 0.41 0.98 -0.04 4.05 2.04 -0.40 -3.01 117.51 121.54 2f76 h ILE 90 Ca 0.11 -2.59 -0.00 0.00 1.00 0.00 0.00 64.86 63.37 2f76 h ILE 90 Cb 0.34 2.75 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2f76 h ILE 90 CO 0.01 0.84 0.02 -0.78 0.00 0.00 0.00 178.15 178.24 2f76 h ASP 91 N 0.09 0.06 -0.71 1.72 1.82 0.20 -2.95 116.42 116.64 2f76 h ASP 91 Ca -0.32 -0.12 -0.06 0.00 -0.39 0.00 0.00 57.03 56.14 2f76 h ASP 91 Cb 2.08 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 42.04 2f76 h ASP 91 CO 0.17 0.16 0.21 0.11 -1.61 0.00 0.00 179.24 178.28 2f76 h LYS 92 N -0.05 1.12 -6.52 0.28 1.79 -1.16 -3.42 116.57 108.61 2f76 h LYS 92 Ca 0.02 -0.25 -0.52 0.00 -2.18 0.00 0.00 60.65 57.72 2f76 h LYS 92 Cb 0.12 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2f76 h LYS 92 CO -0.00 0.96 0.33 0.21 -1.08 0.00 0.00 179.45 179.87 2f76 s LYS 93 N -5.39 4.66 0.00 3.15 2.20 -1.12 -4.90 119.74 118.36 2f76 s LYS 93 Ca -0.12 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 2f76 s LYS 93 Cb 0.15 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2f76 s LYS 93 CO 0.84 0.21 0.21 0.39 -0.36 0.00 0.00 175.35 176.64 2f76 n GLU 94 N 2.83 0.00 -5.09 4.03 1.02 -1.26 -4.78 120.64 117.39 2f76 n GLU 94 Ca 0.02 -0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 56.66 2f76 n GLU 94 Cb 0.49 -0.45 -0.16 0.00 -0.02 0.00 0.00 31.44 31.30 2f76 n GLU 94 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2f76 s VAL 95 N 0.00 1.81 0.06 2.62 1.01 -1.26 -5.13 120.40 119.51 2f76 s VAL 95 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2f76 s VAL 95 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2f76 s VAL 95 CO 0.00 0.51 0.04 0.54 0.00 0.00 0.00 175.10 176.19 2f76 s ASN 96 N 0.00 0.35 0.50 3.32 2.20 -1.26 -5.15 114.94 114.91 2f76 s ASN 96 Ca -0.06 -0.85 -0.21 0.00 -0.94 0.00 0.00 52.86 50.80 2f76 s ASN 96 Cb -0.14 0.24 -0.06 0.00 -2.00 0.00 0.00 41.25 39.29 2f76 s ASN 96 CO 0.04 -0.62 1.17 -2.16 -2.94 0.00 0.00 177.10 172.60 2f76 s PRO 97 N -3.71 3.52 0.07 3.55 0.04 -1.26 -5.06 135.00 132.16 2f76 s PRO 97 Ca 0.05 1.77 0.02 0.00 0.04 0.00 0.00 61.00 62.87 2f76 s PRO 97 Cb 0.06 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2f76 s PRO 97 CO -0.10 -0.75 -0.07 -0.65 0.04 0.00 0.00 177.00 175.47 2f76 s GLN 98 N -2.94 0.70 -0.10 4.56 -0.21 -1.26 -5.15 119.66 115.26 2f76 s GLN 98 Ca 0.68 -1.07 0.03 0.00 0.02 0.00 0.00 55.36 55.02 2f76 s GLN 98 Cb -0.28 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.48 2f76 s GLN 98 CO 0.33 0.02 -0.21 0.08 -2.12 0.00 0.00 175.29 173.39 2f76 s VAL 99 N -2.59 1.86 0.00 1.09 1.01 -1.26 -5.37 120.40 115.14 2f76 s VAL 99 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2f76 s VAL 99 Cb -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2f76 s VAL 99 CO -0.02 0.51 0.00 0.23 0.00 0.00 0.00 175.10 175.82