#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 s GLY 2 N 0.00 1.65 -0.16 3.03 0.00 -1.26 -5.06 107.32 105.52 2f76 s GLY 2 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 2f76 s GLY 2 CO 0.00 -0.20 -0.03 1.20 0.00 0.00 0.00 173.10 174.08 2f76 s GLN 3 N -5.60 3.68 0.12 2.90 -1.52 -1.26 -5.01 119.66 112.98 2f76 s GLN 3 Ca 0.67 -0.51 -0.17 0.00 -1.95 0.00 0.00 55.36 53.40 2f76 s GLN 3 Cb -0.09 -2.95 -0.04 0.00 -0.22 0.00 0.00 33.01 29.72 2f76 s GLN 3 CO 0.52 0.22 1.66 0.93 -0.25 0.00 0.00 175.29 178.37 2f76 h GLU 4 N 6.78 0.50 -5.31 2.91 5.08 -2.10 -3.41 114.58 119.03 2f76 h GLU 4 Ca -0.32 -0.09 -0.64 0.00 -1.00 0.00 0.00 59.36 57.30 2f76 h GLU 4 Cb 1.19 -0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.13 2f76 h GLU 4 CO 0.63 0.50 -0.70 -1.17 -1.00 0.00 0.00 179.01 177.28 2f76 s LEU 5 N -9.79 3.08 0.12 1.33 2.96 -1.26 -5.04 118.68 110.09 2f76 s LEU 5 Ca -0.13 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 2f76 s LEU 5 Cb 0.09 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 2f76 s LEU 5 CO 0.74 0.17 0.24 -0.94 -1.32 0.00 0.00 176.35 175.23 2f76 s SER 6 N 0.35 0.07 0.43 3.68 1.04 -1.26 -5.04 113.70 112.97 2f76 s SER 6 Ca -0.06 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 55.79 2f76 s SER 6 Cb -0.15 0.38 0.94 0.00 0.10 0.00 0.00 66.02 67.29 2f76 s SER 6 CO 0.04 -0.80 1.94 -0.61 0.98 0.00 0.00 173.24 174.79 2f76 h GLN 7 N 2.65 0.00 -0.55 4.02 5.75 -2.00 -2.30 115.11 122.68 2f76 h GLN 7 Ca -0.33 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.08 2f76 h GLN 7 Cb 1.21 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 2f76 h GLN 7 CO 0.53 0.24 -0.02 0.45 -2.65 0.00 0.00 178.83 177.38 2f76 h HIS 8 N 0.00 1.04 -0.39 3.99 3.86 -2.00 -2.45 115.15 119.21 2f76 h HIS 8 Ca -0.00 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2f76 h HIS 8 Cb 0.43 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2f76 h HIS 8 CO 0.00 0.94 -0.04 0.93 0.86 0.00 0.00 177.93 180.62 2f76 h GLU 9 N 0.88 0.64 -0.55 2.45 5.08 -1.83 -2.53 114.58 118.73 2f76 h GLU 9 Ca 0.16 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2f76 h GLU 9 Cb 0.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2f76 h GLU 9 CO 0.03 0.69 0.01 0.00 -1.00 0.00 0.00 179.01 178.74 2f76 h ARG 10 N 0.60 0.93 -0.53 2.33 3.08 -1.23 -2.69 114.38 116.87 2f76 h ARG 10 Ca 0.12 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2f76 h ARG 10 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2f76 h ARG 10 CO 0.02 0.91 0.30 -0.92 -1.07 0.00 0.00 179.97 179.21 2f76 h TYR 11 N 0.86 0.71 -0.10 3.04 3.20 -1.03 -2.31 116.97 121.33 2f76 h TYR 11 Ca 0.16 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2f76 h TYR 11 Cb 0.49 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2f76 h TYR 11 CO 0.03 0.52 -0.16 -0.24 -1.64 0.00 0.00 178.16 176.67 2f76 h VAL 12 N 0.70 1.17 -0.80 1.81 3.04 -1.33 -2.15 116.25 118.70 2f76 h VAL 12 Ca 0.19 -0.77 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 2f76 h VAL 12 Cb 0.03 1.27 -0.04 0.00 -2.01 0.00 0.00 31.29 30.55 2f76 h VAL 12 CO -0.03 0.23 0.33 -0.08 -1.01 0.00 0.00 177.57 177.01 2f76 h GLU 13 N 0.15 1.18 -0.65 4.17 4.81 -1.09 -1.93 114.58 121.23 2f76 h GLU 13 Ca 0.03 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 2f76 h GLU 13 Cb 0.38 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2f76 h GLU 13 CO 0.02 0.95 0.26 1.96 -0.73 0.00 0.00 179.01 181.47 2f76 h GLN 14 N 1.15 0.94 -0.85 1.92 4.20 -1.10 -2.12 115.11 119.26 2f76 h GLN 14 Ca 0.27 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2f76 h GLN 14 Cb 0.20 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2f76 h GLN 14 CO -0.02 0.77 0.41 -0.07 -0.67 0.00 0.00 178.83 179.25 2f76 h LEU 15 N 0.93 1.11 -0.24 1.46 3.38 -1.12 -1.49 115.31 119.33 2f76 h LEU 15 Ca 0.22 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2f76 h LEU 15 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2f76 h LEU 15 CO -0.02 0.93 0.05 0.50 0.09 0.00 0.00 178.44 179.99 2f76 h LYS 16 N 1.21 0.14 0.11 1.13 3.64 -0.70 0.41 116.57 122.51 2f76 h LYS 16 Ca 0.29 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2f76 h LYS 16 Cb 0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2f76 h LYS 16 CO -0.04 0.09 -0.05 1.96 -2.27 0.00 0.00 179.45 179.15 2f76 h GLN 17 N 0.15 -0.14 0.02 1.90 1.08 -1.28 0.99 115.11 117.83 2f76 h GLN 17 Ca 0.11 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2f76 h GLN 17 Cb 0.11 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2f76 h GLN 17 CO -0.14 0.15 -0.01 0.00 -0.95 0.00 0.00 178.83 177.88 2f76 h ALA 18 N 0.42 -0.02 -0.34 3.87 0.00 -1.16 -2.72 119.26 119.31 2f76 h ALA 18 Ca -0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2f76 h ALA 18 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2f76 h ALA 18 CO 0.02 -0.49 -0.07 -0.07 0.00 0.00 0.00 179.25 178.64 2f76 h LEU 19 N -0.07 0.53 -0.90 0.00 3.38 -0.24 -2.74 115.31 115.28 2f76 h LEU 19 Ca -0.00 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2f76 h LEU 19 Cb 0.06 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2f76 h LEU 19 CO 0.00 0.65 0.56 0.50 0.09 0.00 0.00 178.44 180.24 2f76 h LYS 20 N 0.52 0.97 0.00 1.13 3.64 -0.50 0.22 116.57 122.55 2f76 h LYS 20 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2f76 h LYS 20 Cb 0.44 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2f76 h LYS 20 CO 0.02 0.64 0.00 1.79 -2.27 0.00 0.00 179.45 179.63 2f76 h THR 21 N 1.00 0.00 -0.00 1.00 1.35 -1.21 -1.75 112.91 113.30 2f76 h THR 21 Ca 0.40 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2f76 h THR 21 Cb 0.22 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2f76 h THR 21 CO -0.19 0.00 -0.28 0.54 -0.25 0.00 0.00 175.52 175.34 2f76 n ARG 22 N -2.96 0.47 0.00 4.72 1.74 0.68 -4.90 116.66 116.41 2f76 n ARG 22 Ca -0.00 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2f76 n ARG 22 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.39 1.51 3.35 -0.13 0.00 -0.66 -4.99 105.19 105.66 2f76 n GLY 23 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 5.20 -0.72 1.61 1.01 -0.69 -4.99 120.40 119.82 2f76 s VAL 24 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 2f76 s VAL 24 Cb 0.00 -4.25 0.19 0.00 0.00 0.00 0.00 36.38 32.32 2f76 s VAL 24 CO 0.00 -0.75 0.66 -0.54 0.00 0.00 0.00 175.10 174.47 2f76 s LYS 25 N 1.67 3.32 0.07 2.72 1.02 -1.26 -3.80 119.74 123.48 2f76 s LYS 25 Ca 0.04 -2.24 0.02 0.00 0.02 0.00 0.00 55.97 53.81 2f76 s LYS 25 Cb -0.27 -4.33 -0.03 0.00 -0.52 0.00 0.00 37.83 32.68 2f76 s LYS 25 CO 0.05 -1.29 -0.07 0.08 -0.92 0.00 0.00 175.35 173.20 2f76 s VAL 26 N 0.57 0.61 0.45 3.17 1.01 -1.26 -5.07 120.40 119.88 2f76 s VAL 26 Ca 0.13 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.45 2f76 s VAL 26 Cb -0.17 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 2f76 s VAL 26 CO -0.05 -0.59 1.10 -0.54 0.00 0.00 0.00 175.10 175.02 2f76 s LYS 27 N -2.53 3.85 0.15 2.72 1.02 -1.26 -4.95 119.74 118.74 2f76 s LYS 27 Ca -0.01 1.58 -0.16 0.00 0.02 0.00 0.00 55.97 57.40 2f76 s LYS 27 Cb -0.04 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2f76 s LYS 27 CO -0.02 -0.43 1.81 -0.92 -0.92 0.00 0.00 175.35 174.87 2f76 h TYR 28 N 1.99 0.46 -0.27 3.18 3.20 -2.00 -2.03 116.97 121.50 2f76 h TYR 28 Ca -0.49 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.37 2f76 h TYR 28 Cb 1.23 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2f76 h TYR 28 CO 0.55 0.28 0.09 0.00 -1.64 0.00 0.00 178.16 177.45 2f76 h ALA 29 N 1.15 1.67 0.26 1.82 0.00 -1.98 -1.34 119.26 120.84 2f76 h ALA 29 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2f76 h ALA 29 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2f76 h ALA 29 CO -0.05 0.27 -0.13 0.22 0.00 0.00 0.00 179.25 179.56 2f76 h ASP 30 N 0.37 -0.31 -0.49 0.00 3.58 -1.73 0.26 116.42 118.11 2f76 h ASP 30 Ca 0.09 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 2f76 h ASP 30 Cb 0.10 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2f76 h ASP 30 CO -0.01 -0.22 -0.13 -0.07 -2.88 0.00 0.00 179.24 175.93 2f76 h LEU 31 N -0.36 0.99 -0.20 2.28 3.38 -1.36 0.32 115.31 120.36 2f76 h LEU 31 Ca -0.04 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2f76 h LEU 31 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2f76 h LEU 31 CO 0.06 1.12 0.10 0.25 0.09 0.00 0.00 178.44 180.05 2f76 h LEU 32 N 0.87 0.26 -0.28 1.67 6.46 -1.05 0.39 115.31 123.63 2f76 h LEU 32 Ca 0.13 -0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 2f76 h LEU 32 Cb 0.69 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2f76 h LEU 32 CO 0.05 0.31 -0.23 0.11 -0.62 0.00 0.00 178.44 178.06 2f76 h LYS 33 N 0.20 0.66 -0.54 1.25 1.57 -0.42 -2.62 116.57 116.67 2f76 h LYS 33 Ca 0.07 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2f76 h LYS 33 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2f76 h LYS 33 CO -0.01 0.93 0.27 0.35 -0.57 0.00 0.00 179.45 180.42 2f76 h PHE 34 N 0.40 0.77 -0.67 -1.35 3.57 -0.19 -0.21 116.94 119.26 2f76 h PHE 34 Ca 0.05 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2f76 h PHE 34 Cb 0.78 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 2f76 h PHE 34 CO 0.07 0.59 0.39 0.35 -2.23 0.00 0.00 178.31 177.48 2f76 h PHE 35 N 0.73 0.72 0.00 0.41 3.04 -0.21 0.47 116.94 122.10 2f76 h PHE 35 Ca 0.19 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 2f76 h PHE 35 Cb 0.10 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 2f76 h PHE 35 CO -0.01 0.37 -0.23 0.22 -2.02 0.00 0.00 178.31 176.65 2f76 h ASP 36 N 0.74 0.00 0.34 0.41 1.82 -1.07 -2.94 116.42 115.72 2f76 h ASP 36 Ca 0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 2f76 h ASP 36 Cb 0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2f76 h ASP 36 CO -0.15 0.23 -0.16 0.15 -1.61 0.00 0.00 179.24 177.69 2f76 h PHE 37 N 0.00 -0.42 -0.48 0.28 3.04 0.94 0.36 116.94 120.66 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 0.67 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 2f76 h PHE 37 CO 0.00 -0.24 -0.08 -0.24 -2.02 0.00 0.00 178.31 175.73 2f76 h VAL 38 N -0.48 1.27 -0.68 1.41 3.04 -1.51 -2.84 116.25 116.45 2f76 h VAL 38 Ca -0.05 -1.20 -0.05 0.00 -1.01 0.00 0.00 66.70 64.40 2f76 h VAL 38 Cb 0.37 1.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 2f76 h VAL 38 CO 0.08 0.42 0.24 0.11 -1.01 0.00 0.00 177.57 177.40 2f76 h LYS 39 N 0.75 1.02 0.07 4.17 1.79 -1.41 2.98 116.57 125.94 2f76 h LYS 39 Ca 0.13 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2f76 h LYS 39 Cb 0.62 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2f76 h LYS 39 CO 0.04 0.85 -0.03 -0.44 -1.08 0.00 0.00 179.45 178.79 2f76 h ASP 40 N 0.99 -0.07 0.04 0.86 3.32 -0.10 -3.21 116.42 118.25 2f76 h ASP 40 Ca 0.23 -0.03 -0.37 0.00 0.02 0.00 0.00 57.03 56.87 2f76 h ASP 40 Cb 0.24 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 2f76 h ASP 40 CO -0.01 -0.02 -2.36 0.35 -1.72 0.00 0.00 179.24 175.48 2f76 n THR 41 N -5.11 1.46 -3.86 0.35 -2.24 -1.09 -4.75 114.28 99.04 2f76 n THR 41 Ca -0.08 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.66 2f76 n THR 41 Cb 0.08 -0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 67.27 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 2.54 0.54 -3.88 0.00 -0.04 -1.20 -3.38 135.00 129.58 2f76 n PRO 43 Ca 0.14 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 2f76 n PRO 43 Cb 0.35 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.26 3.50 -0.30 0.54 -2.14 -1.26 -4.99 118.94 112.02 2f76 s TRP 44 Ca 0.29 0.26 0.06 0.00 2.66 0.00 0.00 56.10 59.37 2f76 s TRP 44 Cb 0.16 -1.77 0.24 0.00 -3.10 0.00 0.00 33.47 29.00 2f76 s TRP 44 CO 0.30 0.53 1.19 1.97 -2.66 0.00 0.00 176.95 178.28 2f76 n PHE 45 N -0.06 -1.42 -0.99 1.66 -1.74 -1.26 -4.95 117.46 108.70 2f76 n PHE 45 Ca -0.05 -1.24 -0.30 0.00 -0.56 0.00 0.00 57.45 55.29 2f76 n PHE 45 Cb 0.52 1.32 0.14 0.00 1.52 0.00 0.00 39.48 42.98 2f76 n PHE 45 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2f76 s PRO 46 N 0.11 1.32 0.19 3.97 0.04 -1.26 -4.92 135.00 134.44 2f76 s PRO 46 Ca 0.10 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.41 2f76 s PRO 46 Cb 0.26 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.97 2f76 s PRO 46 CO -0.06 -2.30 0.07 -1.14 0.04 0.00 0.00 177.00 173.60 2f76 s GLN 47 N -4.78 2.63 -0.31 4.56 0.74 -1.26 -4.81 119.66 116.43 2f76 s GLN 47 Ca 0.64 -1.04 0.18 0.00 0.05 0.00 0.00 55.36 55.19 2f76 s GLN 47 Cb -0.20 -2.47 0.47 0.00 1.10 0.00 0.00 33.01 31.92 2f76 s GLN 47 CO 0.58 0.45 1.02 0.39 -0.55 0.00 0.00 175.29 177.18 2f76 n GLU 48 N -0.39 1.58 -0.95 1.67 1.02 -1.26 -4.92 120.64 117.39 2f76 n GLU 48 Ca -0.09 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.60 2f76 n GLU 48 Cb 0.56 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2f76 n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f76 n GLY 49 N -0.29 0.46 3.18 0.62 0.00 -1.26 -4.97 105.19 102.93 2f76 n GLY 49 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2f76 n GLY 49 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2f76 s THR 50 N -2.14 0.39 -0.49 2.61 -1.32 -1.26 -5.06 115.64 108.36 2f76 s THR 50 Ca 0.00 -1.93 -0.35 0.00 -1.21 0.00 0.00 61.69 58.20 2f76 s THR 50 Cb 0.00 -1.99 -0.16 0.00 -1.51 0.00 0.00 72.50 68.84 2f76 s THR 50 CO 0.00 -0.56 1.88 -0.38 -2.21 0.00 0.00 174.62 173.35 2f76 n ILE 51 N -0.12 0.00 -0.02 5.08 5.41 -1.26 -4.76 119.36 123.68 2f76 n ILE 51 Ca -0.07 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.64 2f76 n ILE 51 Cb 0.63 -0.42 0.20 0.00 -0.71 0.00 0.00 39.64 39.33 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 8.01 0.57 0.14 4.38 1.82 -1.94 -2.43 116.42 126.98 2f76 h ASP 52 Ca -0.08 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.38 2f76 h ASP 52 Cb 1.18 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 2f76 h ASP 52 CO 0.96 0.75 -0.07 0.40 -1.61 0.00 0.00 179.24 179.67 2f76 h ILE 53 N 0.53 0.71 -0.98 2.25 2.04 -1.91 -2.57 117.51 117.58 2f76 h ILE 53 Ca 0.09 -0.28 0.22 0.00 1.00 0.00 0.00 64.86 65.89 2f76 h ILE 53 Cb 0.58 1.17 -0.12 0.00 -0.74 0.00 0.00 36.82 37.71 2f76 h ILE 53 CO 0.04 0.07 0.57 0.50 0.00 0.00 0.00 178.15 179.33 2f76 h LYS 54 N 0.00 0.60 -0.67 2.37 3.64 -1.79 0.69 116.57 121.41 2f76 h LYS 54 Ca -0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2f76 h LYS 54 Cb 0.16 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2f76 h LYS 54 CO 0.01 0.40 0.14 0.00 -2.27 0.00 0.00 179.45 177.72 2f76 h ARG 55 N 0.62 1.08 -0.11 1.90 3.08 -1.64 -1.30 114.38 118.01 2f76 h ARG 55 Ca 0.61 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 2f76 h ARG 55 Cb 1.09 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2f76 h ARG 55 CO -0.45 0.96 0.03 2.35 -1.07 0.00 0.00 179.97 181.80 2f76 h TRP 56 N 1.02 0.18 -0.48 3.04 7.01 0.16 -2.71 115.95 124.17 2f76 h TRP 56 Ca 0.21 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 2f76 h TRP 56 Cb 0.39 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 2f76 h TRP 56 CO 0.03 0.33 0.25 0.00 -2.79 0.00 0.00 178.44 176.26 2f76 h ARG 57 N -0.01 0.66 -0.45 2.65 2.47 -0.77 -1.79 114.38 117.14 2f76 h ARG 57 Ca 0.04 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2f76 h ARG 57 Cb 0.23 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2f76 h ARG 57 CO -0.00 0.49 0.28 0.00 0.56 0.00 0.00 179.97 181.30 2f76 h ARG 58 N 0.67 0.60 -0.43 0.04 3.08 -0.99 0.42 114.38 117.77 2f76 h ARG 58 Ca 0.17 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2f76 h ARG 58 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2f76 h ARG 58 CO -0.03 0.43 -0.01 0.28 -1.07 0.00 0.00 179.97 179.58 2f76 h VAL 59 N 0.59 1.26 -0.10 2.04 2.07 -1.16 -0.95 116.25 120.01 2f76 h VAL 59 Ca 0.16 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2f76 h VAL 59 Cb -0.02 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2f76 h VAL 59 CO -0.03 0.36 0.03 1.23 0.02 0.00 0.00 177.57 179.18 2f76 h GLY 60 N 0.61 0.17 1.01 2.17 0.00 -1.05 -0.93 103.07 105.05 2f76 h GLY 60 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2f76 h GLY 60 CO 0.02 0.09 0.43 -0.55 0.00 0.00 0.00 176.54 176.54 2f76 h ASP 61 N -0.04 0.91 0.38 0.19 3.32 -0.12 0.29 116.42 121.35 2f76 h ASP 61 Ca 0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2f76 h ASP 61 Cb 0.23 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2f76 h ASP 61 CO -0.00 0.72 -0.18 0.00 -1.72 0.00 0.00 179.24 178.06 2f76 h PHE 63 N -0.77 0.44 -0.50 0.00 0.04 -1.11 -2.20 116.94 112.84 2f76 h PHE 63 Ca -0.05 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.79 2f76 h PHE 63 Cb 0.52 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 2f76 h PHE 63 CO 0.01 0.33 0.14 0.37 -0.60 0.00 0.00 178.31 178.56 2f76 h GLN 64 N 0.46 0.28 -0.33 1.51 5.75 -0.24 0.55 115.11 123.09 2f76 h GLN 64 Ca 0.12 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2f76 h GLN 64 Cb 0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2f76 h GLN 64 CO -0.02 0.19 0.17 -0.44 -2.65 0.00 0.00 178.83 176.08 2f76 h ASP 65 N 0.29 0.26 -0.08 -0.69 3.32 -1.07 0.27 116.42 118.71 2f76 h ASP 65 Ca 0.25 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 2f76 h ASP 65 Cb 0.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2f76 h ASP 65 CO -0.29 0.19 -0.16 1.88 -1.72 0.00 0.00 179.24 179.14 2f76 h TYR 66 N 0.36 0.33 -0.19 4.55 0.05 -1.34 -2.17 116.97 118.56 2f76 h TYR 66 Ca 0.14 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2f76 h TYR 66 Cb 0.04 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2f76 h TYR 66 CO -0.09 0.76 0.09 1.88 -1.05 0.00 0.00 178.16 179.76 2f76 h TYR 67 N -0.20 0.27 -0.63 4.88 -1.99 0.19 0.03 116.97 119.51 2f76 h TYR 67 Ca 0.00 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 2f76 h TYR 67 Cb 0.74 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.36 2f76 h TYR 67 CO 0.11 0.27 0.16 -0.91 -0.00 0.00 0.00 178.16 177.79 2f76 h ASN 68 N 0.18 0.95 -0.38 3.88 -0.26 -0.25 0.40 115.58 120.10 2f76 h ASN 68 Ca 0.06 -0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.57 2f76 h ASN 68 Cb 0.10 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 2f76 h ASN 68 CO -0.01 0.93 0.21 0.71 -1.06 0.00 0.00 177.43 178.21 2f76 h THR 69 N 0.92 1.14 -0.47 2.81 1.35 -1.23 -2.55 112.91 114.89 2f76 h THR 69 Ca 0.20 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.58 2f76 h THR 69 Cb 0.35 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 2f76 h THR 69 CO 0.00 0.15 -0.14 -0.26 -0.25 0.00 0.00 175.52 175.02 2f76 h PHE 70 N 0.49 0.99 0.00 4.73 -1.00 -0.74 -3.48 116.94 117.94 2f76 h PHE 70 Ca 0.14 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2f76 h PHE 70 Cb 0.05 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.37 2f76 h PHE 70 CO -0.03 0.96 0.00 0.41 -1.61 0.00 0.00 178.31 178.04 2f76 n GLY 71 N -0.31 2.44 3.44 -1.45 0.00 0.13 -5.09 105.19 104.36 2f76 n GLY 71 Ca 0.01 -0.30 -0.47 0.00 0.00 0.00 0.00 46.02 45.26 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 0.49 -0.13 1.61 -0.02 -0.28 -4.66 135.00 132.02 2f76 n PRO 72 Ca 0.00 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 2f76 n PRO 72 Cb 0.00 -2.11 0.30 0.00 -0.02 0.00 0.00 33.50 31.67 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 8.31 2.01 -0.28 -0.52 0.28 -1.26 -2.70 120.64 126.47 2f76 n GLU 73 Ca 0.52 -1.52 0.24 0.00 -0.16 0.00 0.00 57.16 56.24 2f76 n GLU 73 Cb 0.16 -1.43 0.44 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 0.74 -0.05 -3.89 3.44 4.81 -1.26 -2.42 118.16 119.53 2f76 n LYS 74 Ca 0.17 1.20 -0.30 0.00 -0.87 0.00 0.00 58.31 58.51 2f76 n LYS 74 Cb 0.42 -2.09 -0.12 0.00 0.02 0.00 0.00 35.03 33.26 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 -5.41 2.92 0.59 3.15 -7.23 -1.26 -4.59 120.40 108.56 2f76 s VAL 75 Ca -0.08 -3.71 -0.20 0.00 -1.81 0.00 0.00 61.98 56.17 2f76 s VAL 75 Cb 0.28 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2f76 s VAL 75 CO 0.66 -0.91 1.34 -2.84 -0.31 0.00 0.00 175.10 173.04 2f76 s PRO 76 N -0.81 2.89 0.45 4.82 0.02 -1.02 -4.61 135.00 136.74 2f76 s PRO 76 Ca 0.21 2.17 0.22 0.00 0.02 0.00 0.00 61.00 63.62 2f76 s PRO 76 Cb -0.16 -2.08 1.05 0.00 0.02 0.00 0.00 34.50 33.33 2f76 s PRO 76 CO -0.08 -1.37 1.91 -0.24 -0.33 0.00 0.00 177.00 176.90 2f76 h VAL 77 N 1.07 0.79 0.00 3.83 3.04 -1.92 -2.91 116.25 120.14 2f76 h VAL 77 Ca -0.51 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 2f76 h VAL 77 Cb 1.32 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 2f76 h VAL 77 CO 0.55 0.24 0.47 0.35 -1.01 0.00 0.00 177.57 178.17 2f76 n THR 78 N -3.69 0.39 0.19 3.17 -2.24 -1.26 0.37 114.28 111.21 2f76 n THR 78 Ca -0.01 0.71 0.06 0.00 -2.27 0.00 0.00 64.05 62.54 2f76 n THR 78 Cb 0.36 -1.71 0.56 0.00 -2.10 0.00 0.00 70.33 67.44 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 0.67 1.87 -0.30 6.98 0.00 -1.90 -2.54 119.26 124.04 2f76 h ALA 79 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2f76 h ALA 79 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2f76 h ALA 79 CO 0.00 0.11 0.18 0.35 0.00 0.00 0.00 179.25 179.88 2f76 h PHE 80 N 0.14 0.41 0.04 0.00 3.04 -0.37 0.17 116.94 120.37 2f76 h PHE 80 Ca 0.04 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2f76 h PHE 80 Cb 0.04 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.42 2f76 h PHE 80 CO 0.00 0.32 -0.02 0.66 -2.02 0.00 0.00 178.31 177.25 2f76 h SER 81 N 0.38 -0.04 -0.36 0.41 4.64 -1.65 -2.16 113.55 114.76 2f76 h SER 81 Ca 0.11 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2f76 h SER 81 Cb 0.03 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2f76 h SER 81 CO -0.02 0.12 0.22 1.88 -0.87 0.00 0.00 176.83 178.16 2f76 h TYR 82 N -0.21 0.49 -0.25 4.77 0.05 -1.44 0.97 116.97 121.35 2f76 h TYR 82 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2f76 h TYR 82 Cb 0.19 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2f76 h TYR 82 CO -0.02 0.34 0.09 2.35 -1.05 0.00 0.00 178.16 179.87 2f76 h TRP 83 N 0.52 0.34 -0.83 4.88 7.01 -0.22 -1.59 115.95 126.07 2f76 h TRP 83 Ca 0.14 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.19 2f76 h TRP 83 Cb -0.00 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 26.89 2f76 h TRP 83 CO 0.00 0.29 0.51 -0.97 -2.79 0.00 0.00 178.44 175.48 2f76 h ASN 84 N 0.35 0.80 -0.99 2.65 -0.73 -0.17 -0.02 115.58 117.47 2f76 h ASN 84 Ca 0.09 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.28 2f76 h ASN 84 Cb 0.09 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.48 2f76 h ASN 84 CO -0.01 0.52 0.66 -0.07 -0.37 0.00 0.00 177.43 178.16 2f76 h LEU 85 N 0.94 1.14 -0.50 0.34 -0.00 -1.26 -2.24 115.31 113.72 2f76 h LEU 85 Ca 0.36 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.17 2f76 h LEU 85 Cb 0.15 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2f76 h LEU 85 CO -0.16 0.83 0.19 0.40 -0.00 0.00 0.00 178.44 179.69 2f76 h ILE 86 N 1.35 1.22 -0.77 1.22 2.04 -0.92 -2.53 117.51 119.12 2f76 h ILE 86 Ca 0.36 -0.70 0.18 0.00 1.00 0.00 0.00 64.86 65.70 2f76 h ILE 86 Cb -0.16 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 36.53 2f76 h ILE 86 CO -0.08 0.26 0.06 0.11 0.00 0.00 0.00 178.15 178.50 2f76 h LYS 87 N 0.67 0.13 -0.29 2.37 1.57 -0.55 0.72 116.57 121.21 2f76 h LYS 87 Ca 0.17 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2f76 h LYS 87 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2f76 h LYS 87 CO -0.01 0.09 -0.11 0.93 -0.57 0.00 0.00 179.45 179.78 2f76 h GLU 88 N 0.14 0.49 0.02 3.15 5.08 -1.36 0.03 114.58 122.13 2f76 h GLU 88 Ca 0.43 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2f76 h GLU 88 Cb 0.77 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2f76 h GLU 88 CO -0.64 0.60 -0.01 1.25 -1.00 0.00 0.00 179.01 179.21 2f76 h LEU 89 N 0.45 -0.03 -0.28 1.33 5.85 0.79 -2.77 115.31 120.66 2f76 h LEU 89 Ca 0.09 -0.29 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 2f76 h LEU 89 Cb 0.47 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2f76 h LEU 89 CO 0.03 0.27 -0.45 0.40 -0.34 0.00 0.00 178.44 178.35 2f76 h ILE 90 N -0.33 1.29 -0.62 4.05 2.04 -0.99 -2.95 117.51 120.00 2f76 h ILE 90 Ca -0.00 -1.64 0.12 0.00 1.00 0.00 0.00 64.86 64.34 2f76 h ILE 90 Cb 0.31 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 2f76 h ILE 90 CO 0.01 0.53 0.13 0.44 0.00 0.00 0.00 178.15 179.26 2f76 h ASP 91 N 0.55 -0.00 -0.71 1.72 5.19 -1.02 0.23 116.42 122.38 2f76 h ASP 91 Ca 0.02 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.49 2f76 h ASP 91 Cb 1.05 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 2f76 h ASP 91 CO 0.10 0.00 0.23 0.11 -3.12 0.00 0.00 179.24 176.56 2f76 h LYS 92 N 0.26 1.10 -7.44 3.56 1.57 -1.48 -3.38 116.57 110.76 2f76 h LYS 92 Ca 0.33 -0.23 -0.50 0.00 -1.87 0.00 0.00 60.65 58.38 2f76 h LYS 92 Cb 0.50 -0.16 0.07 0.00 0.08 0.00 0.00 32.23 32.72 2f76 h LYS 92 CO -0.42 0.94 0.41 0.15 -0.57 0.00 0.00 179.45 179.96 2f76 s LYS 93 N -5.43 3.05 -0.40 3.15 1.02 0.07 -3.54 119.74 117.66 2f76 s LYS 93 Ca -0.12 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.43 2f76 s LYS 93 Cb 0.15 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2f76 s LYS 93 CO 0.83 -0.92 0.00 0.39 -0.92 0.00 0.00 175.35 174.73 2f76 n GLU 94 N -2.95 -1.87 -4.83 1.68 -0.58 -1.26 -4.87 120.64 105.96 2f76 n GLU 94 Ca 0.07 0.55 -0.26 0.00 -0.42 0.00 0.00 57.16 57.09 2f76 n GLU 94 Cb 0.56 -4.77 -0.16 0.00 -0.57 0.00 0.00 31.44 26.50 2f76 n GLU 94 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2f76 s VAL 95 N -1.19 1.44 -1.28 2.62 1.01 -1.23 -4.80 120.40 116.96 2f76 s VAL 95 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2f76 s VAL 95 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2f76 s VAL 95 CO 0.00 0.42 0.58 -3.20 0.00 0.00 0.00 175.10 172.90 2f76 n ASN 96 N 3.33 -2.72 -4.76 3.32 4.05 -1.26 -4.90 115.26 112.33 2f76 n ASN 96 Ca -0.19 -1.06 -0.37 0.00 0.45 0.00 0.00 54.58 53.41 2f76 n ASN 96 Cb 0.53 -2.96 0.01 0.00 1.23 0.00 0.00 39.78 38.58 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2f76 s PRO 97 N -6.46 3.46 0.06 1.20 0.04 -1.26 -5.06 135.00 126.99 2f76 s PRO 97 Ca 0.25 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2f76 s PRO 97 Cb -0.10 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2f76 s PRO 97 CO 0.89 -0.81 -0.05 -0.65 0.04 0.00 0.00 177.00 176.42 2f76 s GLN 98 N -2.93 0.66 -0.08 4.56 -0.21 -1.26 -5.16 119.66 115.23 2f76 s GLN 98 Ca 0.69 -1.16 0.04 0.00 0.02 0.00 0.00 55.36 54.94 2f76 s GLN 98 Cb -0.30 0.00 0.00 0.00 1.00 0.00 0.00 33.01 33.72 2f76 s GLN 98 CO 0.35 -0.06 -0.20 0.08 -2.12 0.00 0.00 175.29 173.35 2f76 s VAL 99 N -3.35 1.74 0.00 1.09 1.01 -1.26 -5.25 120.40 114.38 2f76 s VAL 99 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2f76 s VAL 99 Cb 0.04 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2f76 s VAL 99 CO -0.06 0.49 0.00 0.23 0.00 0.00 0.00 175.10 175.76