#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 n GLY 2 N 0.00 0.46 3.73 3.03 0.00 -1.26 -5.01 105.19 106.14 2f76 n GLY 2 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2f76 n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f76 s GLN 3 N -2.65 4.41 0.18 1.61 -1.52 -1.26 -4.93 119.66 115.51 2f76 s GLN 3 Ca 0.00 1.96 -0.14 0.00 -1.95 0.00 0.00 55.36 55.24 2f76 s GLN 3 Cb 0.00 -3.24 0.08 0.00 -0.22 0.00 0.00 33.01 29.63 2f76 s GLN 3 CO 0.00 -0.23 1.84 1.49 -0.25 0.00 0.00 175.29 178.13 2f76 h GLU 4 N 5.78 0.71 -5.21 2.91 4.57 -2.10 -3.40 114.58 117.85 2f76 h GLU 4 Ca -0.44 -0.04 -0.65 0.00 -1.18 0.00 0.00 59.36 57.05 2f76 h GLU 4 Cb 1.21 -0.16 -0.25 0.00 -0.16 0.00 0.00 28.75 29.39 2f76 h GLU 4 CO 0.79 0.47 -0.72 -1.17 -1.18 0.00 0.00 179.01 177.20 2f76 s LEU 5 N -10.16 2.96 0.13 1.64 2.96 -1.26 -5.02 118.68 109.93 2f76 s LEU 5 Ca -0.13 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 2f76 s LEU 5 Cb 0.13 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 2f76 s LEU 5 CO 0.75 0.11 0.26 -0.94 -1.32 0.00 0.00 176.35 175.20 2f76 s SER 6 N 0.72 0.04 0.51 3.68 1.04 -1.26 -5.03 113.70 113.40 2f76 s SER 6 Ca -0.03 -0.72 0.20 0.00 0.48 0.00 0.00 55.95 55.89 2f76 s SER 6 Cb -0.15 0.40 1.32 0.00 0.10 0.00 0.00 66.02 67.69 2f76 s SER 6 CO 0.02 -0.82 2.09 1.56 0.98 0.00 0.00 173.24 177.07 2f76 h GLN 7 N 2.61 0.00 -0.58 4.02 4.20 -1.99 -1.87 115.11 121.50 2f76 h GLN 7 Ca -0.33 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 2f76 h GLN 7 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 2f76 h GLN 7 CO 0.51 0.10 -0.01 0.45 -0.67 0.00 0.00 178.83 179.21 2f76 h HIS 8 N 0.00 1.11 -0.46 2.96 3.86 -2.00 -1.57 115.15 119.05 2f76 h HIS 8 Ca -0.00 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 2f76 h HIS 8 Cb 0.19 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2f76 h HIS 8 CO 0.00 0.99 -0.10 0.93 0.86 0.00 0.00 177.93 180.61 2f76 h GLU 9 N 0.93 0.83 -0.46 2.45 5.08 -1.74 -2.74 114.58 118.93 2f76 h GLU 9 Ca 0.17 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2f76 h GLU 9 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2f76 h GLU 9 CO 0.03 0.90 -0.08 0.00 -1.00 0.00 0.00 179.01 178.86 2f76 h ARG 10 N 0.75 0.87 0.09 2.33 3.08 -1.21 -1.52 114.38 118.78 2f76 h ARG 10 Ca 0.13 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2f76 h ARG 10 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2f76 h ARG 10 CO 0.04 0.95 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.87 2f76 h TYR 11 N 0.71 -0.26 -0.49 3.04 5.03 -1.14 0.13 116.97 123.99 2f76 h TYR 11 Ca 0.12 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 2f76 h TYR 11 Cb 0.61 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2f76 h TYR 11 CO 0.05 -0.16 0.04 -0.24 -1.32 0.00 0.00 178.16 176.52 2f76 h VAL 12 N -0.22 1.24 -0.48 1.81 3.04 -1.50 -2.48 116.25 117.66 2f76 h VAL 12 Ca 0.01 -0.94 -0.07 0.00 -1.01 0.00 0.00 66.70 64.68 2f76 h VAL 12 Cb 0.22 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 2f76 h VAL 12 CO -0.04 0.34 0.02 -0.33 -1.01 0.00 0.00 177.57 176.55 2f76 h GLU 13 N 0.75 0.78 -0.89 4.17 5.08 -0.87 -2.46 114.58 121.16 2f76 h GLU 13 Ca 0.15 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2f76 h GLU 13 Cb 0.40 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2f76 h GLU 13 CO 0.01 0.78 0.48 1.96 -1.00 0.00 0.00 179.01 181.24 2f76 h GLN 14 N 0.73 1.24 -0.34 2.33 4.20 -0.31 -2.55 115.11 120.42 2f76 h GLN 14 Ca 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2f76 h GLN 14 Cb 0.43 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2f76 h GLN 14 CO 0.02 0.91 0.18 -0.07 -0.67 0.00 0.00 178.83 179.20 2f76 h LEU 15 N 1.24 0.44 -0.63 1.46 3.38 -1.18 -2.18 115.31 117.84 2f76 h LEU 15 Ca 0.31 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2f76 h LEU 15 Cb 0.04 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 2f76 h LEU 15 CO -0.05 0.42 0.15 0.50 0.09 0.00 0.00 178.44 179.55 2f76 h LYS 16 N 0.42 0.27 0.20 1.13 3.64 -1.13 0.76 116.57 121.86 2f76 h LYS 16 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2f76 h LYS 16 Cb 0.09 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2f76 h LYS 16 CO -0.02 0.18 -0.09 1.96 -2.27 0.00 0.00 179.45 179.21 2f76 h GLN 17 N 0.28 -0.26 -0.07 1.90 1.08 -1.22 0.11 115.11 116.93 2f76 h GLN 17 Ca 0.34 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2f76 h GLN 17 Cb 0.51 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2f76 h GLN 17 CO -0.42 -0.05 0.04 0.00 -0.95 0.00 0.00 178.83 177.45 2f76 h ALA 18 N 0.35 0.09 -0.39 3.87 0.00 -0.77 -2.43 119.26 119.98 2f76 h ALA 18 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2f76 h ALA 18 Cb 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2f76 h ALA 18 CO 0.04 -0.38 0.26 -0.07 0.00 0.00 0.00 179.25 179.11 2f76 h LEU 19 N 0.03 0.40 -0.66 0.00 -0.00 0.54 -1.69 115.31 113.92 2f76 h LEU 19 Ca 0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2f76 h LEU 19 Cb 0.07 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 2f76 h LEU 19 CO -0.00 0.28 0.40 0.11 -0.00 0.00 0.00 178.44 179.23 2f76 h LYS 20 N 0.47 0.76 0.00 1.13 1.57 -0.28 -0.88 116.57 119.34 2f76 h LYS 20 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2f76 h LYS 20 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2f76 h LYS 20 CO -0.04 0.50 0.00 1.79 -0.57 0.00 0.00 179.45 181.13 2f76 h THR 21 N 0.78 0.00 0.00 -0.16 1.35 -1.15 -2.97 112.91 110.76 2f76 h THR 21 Ca 0.27 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2f76 h THR 21 Cb 0.05 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2f76 h THR 21 CO -0.12 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.69 2f76 n ARG 22 N -2.80 0.18 0.00 4.72 1.74 -0.41 -4.88 116.66 115.21 2f76 n ARG 22 Ca 0.03 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2f76 n ARG 22 Cb 0.38 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.19 1.77 3.41 -0.13 0.00 -1.06 -5.05 105.19 105.32 2f76 n GLY 23 Ca 0.06 0.00 -0.32 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 2.84 -0.53 1.61 1.01 -0.77 -5.04 120.40 117.52 2f76 s VAL 24 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2f76 s VAL 24 Cb 0.00 -2.11 0.14 0.00 0.00 0.00 0.00 36.38 34.41 2f76 s VAL 24 CO 0.00 0.57 0.30 -0.75 0.00 0.00 0.00 175.10 175.23 2f76 s LYS 25 N -0.44 1.85 0.07 2.72 2.20 -1.26 -3.93 119.74 120.95 2f76 s LYS 25 Ca 0.05 -2.59 0.02 0.00 -0.36 0.00 0.00 55.97 53.10 2f76 s LYS 25 Cb -0.12 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2f76 s LYS 25 CO 0.02 -1.17 -0.07 0.14 -0.36 0.00 0.00 175.35 173.91 2f76 s VAL 26 N -0.34 0.60 0.45 4.02 -7.23 -1.26 -5.09 120.40 111.56 2f76 s VAL 26 Ca 0.19 -1.45 -0.18 0.00 -1.81 0.00 0.00 61.98 58.73 2f76 s VAL 26 Cb -0.20 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 2f76 s VAL 26 CO -0.04 -0.60 0.94 -0.54 -0.31 0.00 0.00 175.10 174.55 2f76 s LYS 27 N -2.55 4.09 0.13 4.82 1.02 -1.26 -4.98 119.74 121.00 2f76 s LYS 27 Ca -0.01 0.99 -0.15 0.00 0.02 0.00 0.00 55.97 56.82 2f76 s LYS 27 Cb -0.03 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 2f76 s LYS 27 CO -0.02 -0.10 1.63 -0.92 -0.92 0.00 0.00 175.35 175.01 2f76 h TYR 28 N 1.54 0.68 -0.84 3.18 3.20 -1.98 -2.81 116.97 119.94 2f76 h TYR 28 Ca -0.48 -0.08 0.14 0.00 3.14 0.00 0.00 58.73 61.44 2f76 h TYR 28 Cb 1.18 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 2f76 h TYR 28 CO 0.63 0.65 0.54 0.00 -1.64 0.00 0.00 178.16 178.34 2f76 h ALA 29 N 0.95 1.89 -0.08 1.82 0.00 -1.98 -0.66 119.26 121.20 2f76 h ALA 29 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2f76 h ALA 29 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2f76 h ALA 29 CO 0.00 -0.11 0.04 -0.44 0.00 0.00 0.00 179.25 178.74 2f76 h ASP 30 N 0.63 0.05 -0.66 0.00 3.32 -1.87 0.20 116.42 118.10 2f76 h ASP 30 Ca 0.41 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 2f76 h ASP 30 Cb 0.70 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2f76 h ASP 30 CO -0.17 0.04 0.13 -0.07 -1.72 0.00 0.00 179.24 177.45 2f76 h LEU 31 N 0.08 1.03 -0.10 1.55 3.38 -1.33 0.22 115.31 120.15 2f76 h LEU 31 Ca 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2f76 h LEU 31 Cb 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2f76 h LEU 31 CO -0.02 1.01 0.05 0.25 0.09 0.00 0.00 178.44 179.82 2f76 h LEU 32 N 1.00 0.13 -0.56 1.67 5.85 -0.78 0.27 115.31 122.89 2f76 h LEU 32 Ca 0.20 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2f76 h LEU 32 Cb 0.41 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2f76 h LEU 32 CO 0.01 0.19 0.06 0.11 -0.34 0.00 0.00 178.44 178.47 2f76 h LYS 33 N 0.05 0.94 -0.78 1.25 1.57 -0.48 -2.73 116.57 116.39 2f76 h LYS 33 Ca 0.03 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2f76 h LYS 33 Cb 0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2f76 h LYS 33 CO -0.00 0.92 0.39 0.35 -0.57 0.00 0.00 179.45 180.54 2f76 h PHE 34 N 0.83 1.11 -0.60 -1.35 3.57 -0.31 -2.22 116.94 117.96 2f76 h PHE 34 Ca 0.16 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.66 2f76 h PHE 34 Cb 0.46 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2f76 h PHE 34 CO 0.03 0.80 0.35 0.35 -2.23 0.00 0.00 178.31 177.61 2f76 h PHE 35 N 1.10 0.64 0.00 0.41 3.04 -0.22 0.05 116.94 121.95 2f76 h PHE 35 Ca 0.27 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 2f76 h PHE 35 Cb 0.10 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 2f76 h PHE 35 CO 0.01 0.34 -0.19 -0.44 -2.02 0.00 0.00 178.31 176.00 2f76 h ASP 36 N 0.67 0.00 0.22 0.41 3.32 -1.19 -1.85 116.42 118.00 2f76 h ASP 36 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2f76 h ASP 36 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2f76 h ASP 36 CO -0.14 0.19 -0.11 0.15 -1.72 0.00 0.00 179.24 177.62 2f76 h PHE 37 N 0.00 -0.28 -0.09 4.55 3.04 -0.38 -1.04 116.94 122.74 2f76 h PHE 37 Ca -0.00 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 2f76 h PHE 37 Cb 0.46 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2f76 h PHE 37 CO 0.00 -0.07 -0.37 -0.24 -2.02 0.00 0.00 178.31 175.61 2f76 h VAL 38 N -0.43 1.29 -0.53 1.41 3.04 -1.33 -2.83 116.25 116.86 2f76 h VAL 38 Ca -0.03 -1.38 -0.03 0.00 -1.01 0.00 0.00 66.70 64.25 2f76 h VAL 38 Cb 0.33 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.22 2f76 h VAL 38 CO 0.05 0.41 0.19 0.50 -1.01 0.00 0.00 177.57 177.71 2f76 h LYS 39 N 0.15 0.80 -0.61 4.17 3.64 -1.12 3.39 116.57 127.00 2f76 h LYS 39 Ca 0.02 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 2f76 h LYS 39 Cb 0.72 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2f76 h LYS 39 CO 0.05 0.71 0.10 -0.44 -2.27 0.00 0.00 179.45 177.61 2f76 h ASP 40 N 0.72 0.98 0.03 4.20 3.32 -1.03 -2.90 116.42 121.73 2f76 h ASP 40 Ca 0.17 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2f76 h ASP 40 Cb 0.23 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2f76 h ASP 40 CO -0.01 0.99 -0.45 0.35 -1.72 0.00 0.00 179.24 178.40 2f76 n THR 41 N -4.28 0.00 -3.14 0.35 -2.24 -1.08 -4.81 114.28 99.08 2f76 n THR 41 Ca 0.03 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 2f76 n THR 41 Cb 0.28 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 5.13 0.40 -1.92 0.00 -0.04 -1.11 -3.05 135.00 134.42 2f76 n PRO 43 Ca 0.07 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2f76 n PRO 43 Cb 0.56 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.24 -2.55 0.00 0.54 2.14 -1.26 -4.98 117.44 110.09 2f76 n TRP 44 Ca 0.12 -0.93 0.00 0.00 2.07 0.00 0.00 57.50 58.77 2f76 n TRP 44 Cb 0.17 -0.24 0.00 0.00 -0.81 0.00 0.00 31.31 30.44 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 -1.50 0.00 -1.79 -2.67 7.35 -1.26 -4.91 117.46 112.68 2f76 n PHE 45 Ca 0.06 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.35 2f76 n PHE 45 Cb 0.26 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.11 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 3.77 -0.12 -7.13 0.02 -1.26 -4.76 135.00 125.52 2f76 s PRO 46 Ca 0.00 2.47 -0.33 0.00 0.02 0.00 0.00 61.00 63.16 2f76 s PRO 46 Cb 0.00 -2.72 0.13 0.00 0.02 0.00 0.00 34.50 31.93 2f76 s PRO 46 CO 0.00 -0.77 1.21 -1.14 -0.33 0.00 0.00 177.00 175.97 2f76 s GLN 47 N -2.38 0.38 0.13 5.54 0.74 -1.26 -5.14 119.66 117.67 2f76 s GLN 47 Ca 0.59 -0.17 0.10 0.00 0.05 0.00 0.00 55.36 55.93 2f76 s GLN 47 Cb -0.45 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 2f76 s GLN 47 CO 0.58 -0.17 -0.21 -1.21 -0.55 0.00 0.00 175.29 173.73 2f76 s GLU 48 N -2.48 1.66 0.00 1.67 2.02 -1.26 -4.78 118.70 115.53 2f76 s GLU 48 Ca 0.11 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.84 2f76 s GLU 48 Cb 0.01 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2f76 s GLU 48 CO -0.04 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2f76 n GLY 49 N 0.78 0.23 3.70 -1.39 0.00 -1.26 -5.01 105.19 102.24 2f76 n GLY 49 Ca -0.16 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 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 2.56 -0.52 2.61 -4.23 -1.26 -4.51 115.64 110.29 2f76 s THR 50 Ca 0.00 0.18 -0.34 0.00 -1.18 0.00 0.00 61.69 60.35 2f76 s THR 50 Cb 0.00 -2.62 -0.16 0.00 1.34 0.00 0.00 72.50 71.06 2f76 s THR 50 CO 0.00 -0.24 1.89 -0.38 -0.54 0.00 0.00 174.62 175.36 2f76 n ILE 51 N -3.98 0.00 -0.00 2.99 5.41 -1.26 -4.77 119.36 117.75 2f76 n ILE 51 Ca 0.07 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 2f76 n ILE 51 Cb 0.55 -0.42 -0.03 0.00 -0.71 0.00 0.00 39.64 39.03 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 8.10 0.80 -0.02 4.38 3.58 -1.86 -2.97 116.42 128.43 2f76 h ASP 52 Ca -0.07 -0.51 0.01 0.00 0.42 0.00 0.00 57.03 56.88 2f76 h ASP 52 Cb 1.16 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 2f76 h ASP 52 CO 0.97 1.28 0.04 0.40 -2.88 0.00 0.00 179.24 179.05 2f76 h ILE 53 N 0.47 0.25 -0.80 2.25 2.04 -1.86 -2.68 117.51 117.19 2f76 h ILE 53 Ca -0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.01 2f76 h ILE 53 Cb 1.34 0.96 -0.12 0.00 -0.74 0.00 0.00 36.82 38.26 2f76 h ILE 53 CO 0.14 0.00 0.23 0.50 0.00 0.00 0.00 178.15 179.02 2f76 h LYS 54 N 0.00 0.27 -0.60 2.37 3.64 -1.89 0.30 116.57 120.67 2f76 h LYS 54 Ca 0.01 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2f76 h LYS 54 Cb 0.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2f76 h LYS 54 CO -0.00 0.18 0.10 0.00 -2.27 0.00 0.00 179.45 177.46 2f76 h ARG 55 N 0.28 0.97 -0.22 1.90 3.08 -1.69 -0.93 114.38 117.77 2f76 h ARG 55 Ca 0.47 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2f76 h ARG 55 Cb 0.85 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2f76 h ARG 55 CO -0.55 0.89 0.10 2.35 -1.07 0.00 0.00 179.97 181.69 2f76 h TRP 56 N 0.91 0.32 -0.33 3.04 7.01 -0.60 -2.32 115.95 123.97 2f76 h TRP 56 Ca 0.19 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.07 2f76 h TRP 56 Cb 0.39 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 2f76 h TRP 56 CO 0.03 0.33 -0.22 0.00 -2.79 0.00 0.00 178.44 175.78 2f76 h ARG 57 N 0.21 0.63 -0.71 2.65 2.47 -1.15 -2.73 114.38 115.74 2f76 h ARG 57 Ca 0.07 -0.24 0.01 0.00 -1.26 0.00 0.00 59.98 58.57 2f76 h ARG 57 Cb 0.13 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.38 2f76 h ARG 57 CO -0.01 0.80 0.47 0.00 0.56 0.00 0.00 179.97 181.79 2f76 h ARG 58 N 0.56 0.91 -0.44 0.04 3.08 -0.94 0.43 114.38 118.03 2f76 h ARG 58 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2f76 h ARG 58 Cb 0.68 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2f76 h ARG 58 CO 0.05 0.60 0.11 0.28 -1.07 0.00 0.00 179.97 179.95 2f76 h VAL 59 N 0.94 1.23 -0.02 2.04 2.07 -1.25 0.17 116.25 121.43 2f76 h VAL 59 Ca 0.27 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2f76 h VAL 59 Cb -0.07 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2f76 h VAL 59 CO -0.07 0.28 -0.01 1.23 0.02 0.00 0.00 177.57 179.02 2f76 h GLY 60 N 0.58 0.03 1.00 2.17 0.00 -1.15 -1.45 103.07 104.25 2f76 h GLY 60 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2f76 h GLY 60 CO 0.00 0.03 0.37 -0.55 0.00 0.00 0.00 176.54 176.38 2f76 h ASP 61 N -0.35 0.79 0.64 0.19 3.32 -0.13 0.67 116.42 121.56 2f76 h ASP 61 Ca 0.00 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2f76 h ASP 61 Cb 0.40 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.75 2f76 h ASP 61 CO 0.00 0.64 -0.31 0.00 -1.72 0.00 0.00 179.24 177.85 2f76 h PHE 63 N -1.08 0.44 -0.27 0.00 0.04 -1.24 -1.81 116.94 113.02 2f76 h PHE 63 Ca -0.09 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 2f76 h PHE 63 Cb 0.70 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 2f76 h PHE 63 CO -0.00 0.41 0.07 0.37 -0.60 0.00 0.00 178.31 178.56 2f76 h GLN 64 N 0.43 0.37 -0.19 1.51 -0.00 0.47 0.42 115.11 118.11 2f76 h GLN 64 Ca 0.10 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.68 2f76 h GLN 64 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 2f76 h GLN 64 CO -0.00 0.34 0.02 -0.44 0.00 0.00 0.00 178.83 178.75 2f76 h ASP 65 N 0.37 0.32 -0.05 -0.69 3.32 -0.55 0.24 116.42 119.38 2f76 h ASP 65 Ca 0.09 -0.28 -0.24 0.00 0.02 0.00 0.00 57.03 56.63 2f76 h ASP 65 Cb 0.13 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.61 2f76 h ASP 65 CO -0.01 0.52 -0.89 0.22 -1.72 0.00 0.00 179.24 177.36 2f76 h TYR 66 N 0.11 1.02 -0.41 4.55 3.20 -1.41 -2.63 116.97 121.40 2f76 h TYR 66 Ca 0.06 -0.49 -0.05 0.00 3.14 0.00 0.00 58.73 61.38 2f76 h TYR 66 Cb 0.34 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2f76 h TYR 66 CO 0.02 1.32 0.05 1.88 -1.64 0.00 0.00 178.16 179.80 2f76 h TYR 67 N 0.46 0.74 -0.37 -3.82 -1.99 -0.15 -0.41 116.97 111.43 2f76 h TYR 67 Ca -0.08 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.51 2f76 h TYR 67 Cb 1.52 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 40.04 2f76 h TYR 67 CO 0.09 0.73 0.10 -0.91 -0.00 0.00 0.00 178.16 178.17 2f76 h ASN 68 N 0.53 0.55 -0.24 3.88 -0.26 -0.50 0.41 115.58 119.96 2f76 h ASN 68 Ca 0.12 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 2f76 h ASN 68 Cb 0.40 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2f76 h ASN 68 CO 0.01 0.63 0.11 0.74 -1.06 0.00 0.00 177.43 177.86 2f76 h THR 69 N 0.45 1.14 -0.60 2.81 2.02 -1.40 -2.84 112.91 114.50 2f76 h THR 69 Ca 0.12 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 2f76 h THR 69 Cb 0.28 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2f76 h THR 69 CO -0.00 0.14 0.19 0.15 0.37 0.00 0.00 175.52 176.37 2f76 h PHE 70 N 0.25 0.96 0.00 3.16 3.57 -0.94 -3.48 116.94 120.46 2f76 h PHE 70 Ca 0.08 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2f76 h PHE 70 Cb 0.12 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2f76 h PHE 70 CO -0.02 0.79 0.00 0.41 -2.23 0.00 0.00 178.31 177.26 2f76 n GLY 71 N -0.71 0.41 2.52 2.40 0.00 0.14 -5.08 105.19 104.86 2f76 n GLY 71 Ca 0.03 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.10 1.61 -0.02 -0.74 -4.56 135.00 131.19 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 -1.06 0.34 0.00 -0.02 0.00 0.00 33.50 32.76 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 6.02 1.83 -0.33 -0.52 0.28 -1.26 -3.27 120.64 123.39 2f76 n GLU 73 Ca 0.48 -1.26 0.31 0.00 -0.16 0.00 0.00 57.16 56.53 2f76 n GLU 73 Cb 0.03 -1.40 0.56 0.00 1.43 0.00 0.00 31.44 32.06 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 0.49 -0.05 -3.93 3.44 4.81 -1.26 -2.23 118.16 119.43 2f76 n LYS 74 Ca 0.16 1.23 -0.29 0.00 -0.87 0.00 0.00 58.31 58.54 2f76 n LYS 74 Cb 0.36 -2.26 -0.13 0.00 0.02 0.00 0.00 35.03 33.02 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 -5.31 2.75 0.68 3.15 -7.23 -1.26 -4.57 120.40 108.61 2f76 s VAL 75 Ca -0.08 -3.78 -0.17 0.00 -1.81 0.00 0.00 61.98 56.14 2f76 s VAL 75 Cb 0.30 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2f76 s VAL 75 CO 0.72 -0.90 1.25 -2.84 -0.31 0.00 0.00 175.10 173.03 2f76 s PRO 76 N -0.85 2.40 0.43 4.82 0.02 -0.95 -4.63 135.00 136.24 2f76 s PRO 76 Ca 0.21 1.92 0.19 0.00 0.02 0.00 0.00 61.00 63.34 2f76 s PRO 76 Cb -0.16 -1.85 0.99 0.00 0.02 0.00 0.00 34.50 33.50 2f76 s PRO 76 CO -0.08 -1.67 1.91 -0.24 -0.33 0.00 0.00 177.00 176.59 2f76 h VAL 77 N 0.22 0.95 0.00 3.83 3.04 -1.92 -2.92 116.25 119.45 2f76 h VAL 77 Ca -0.50 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.21 2f76 h VAL 77 Cb 1.32 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2f76 h VAL 77 CO 0.52 0.26 0.75 0.71 -1.01 0.00 0.00 177.57 178.79 2f76 h THR 78 N 0.00 0.00 0.00 3.17 1.35 -2.01 1.27 112.91 116.69 2f76 h THR 78 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2f76 h THR 78 Cb 0.55 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 2f76 h THR 78 CO 0.03 0.00 -0.18 0.00 -0.25 0.00 0.00 175.52 175.13 2f76 h ALA 79 N 0.40 1.62 -0.13 6.62 0.00 -1.90 -2.77 119.26 123.10 2f76 h ALA 79 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2f76 h ALA 79 Cb 1.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2f76 h ALA 79 CO 0.00 0.22 0.07 0.35 0.00 0.00 0.00 179.25 179.89 2f76 h PHE 80 N 0.00 0.13 -0.46 0.00 3.04 0.14 -0.04 116.94 119.75 2f76 h PHE 80 Ca -0.00 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2f76 h PHE 80 Cb 0.33 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2f76 h PHE 80 CO 0.00 0.08 0.23 1.03 -2.02 0.00 0.00 178.31 177.63 2f76 h SER 81 N 0.15 0.59 -0.78 0.41 0.87 -1.66 -1.13 113.55 112.00 2f76 h SER 81 Ca 0.05 -0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2f76 h SER 81 Cb 0.00 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.75 2f76 h SER 81 CO -0.03 0.53 0.46 0.22 -0.53 0.00 0.00 176.83 177.48 2f76 h TYR 82 N 0.60 0.84 0.00 2.24 3.20 -1.30 0.11 116.97 122.66 2f76 h TYR 82 Ca 0.16 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2f76 h TYR 82 Cb 0.09 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2f76 h TYR 82 CO -0.01 0.40 -0.28 2.35 -1.64 0.00 0.00 178.16 178.97 2f76 h TRP 83 N 0.82 0.00 -0.60 -3.82 7.01 -0.49 -2.73 115.95 116.15 2f76 h TRP 83 Ca 0.35 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.41 2f76 h TRP 83 Cb 0.23 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 2f76 h TRP 83 CO -0.06 0.28 0.30 -0.97 -2.79 0.00 0.00 178.44 175.21 2f76 h ASN 84 N 0.00 0.43 -0.50 2.65 -0.73 0.48 -0.21 115.58 117.70 2f76 h ASN 84 Ca -0.00 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 2f76 h ASN 84 Cb 0.51 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2f76 h ASN 84 CO 0.04 0.28 0.25 -0.07 -0.37 0.00 0.00 177.43 177.56 2f76 h LEU 85 N 0.57 0.64 -0.42 0.34 -0.00 -1.33 -2.76 115.31 112.34 2f76 h LEU 85 Ca 0.27 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 58.08 2f76 h LEU 85 Cb 0.20 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.65 2f76 h LEU 85 CO -0.19 0.57 0.17 0.40 -0.00 0.00 0.00 178.44 179.39 2f76 h ILE 86 N 0.66 0.90 -0.83 1.22 2.04 -1.23 -1.85 117.51 118.41 2f76 h ILE 86 Ca 0.17 -0.12 0.18 0.00 1.00 0.00 0.00 64.86 66.09 2f76 h ILE 86 Cb 0.09 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 36.59 2f76 h ILE 86 CO -0.02 0.06 0.36 0.11 0.00 0.00 0.00 178.15 178.66 2f76 h LYS 87 N 0.35 0.44 -0.05 2.37 1.57 -0.79 0.74 116.57 121.20 2f76 h LYS 87 Ca 0.19 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2f76 h LYS 87 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2f76 h LYS 87 CO -0.18 0.29 -0.25 0.93 -0.57 0.00 0.00 179.45 179.68 2f76 h GLU 88 N 0.45 0.08 0.02 3.15 5.08 -1.18 0.03 114.58 122.22 2f76 h GLU 88 Ca 0.48 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2f76 h GLU 88 Cb 0.81 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2f76 h GLU 88 CO -0.45 0.33 -0.01 1.25 -1.00 0.00 0.00 179.01 179.12 2f76 h LEU 89 N 0.08 -0.02 -1.18 1.33 5.85 0.94 -3.17 115.31 119.12 2f76 h LEU 89 Ca 0.01 -0.70 -0.07 0.00 0.84 0.00 0.00 57.88 57.97 2f76 h LEU 89 Cb 0.48 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2f76 h LEU 89 CO 0.03 0.71 -0.33 0.40 -0.34 0.00 0.00 178.44 178.92 2f76 h ILE 90 N -0.80 0.91 -0.42 4.05 2.04 -0.89 -2.86 117.51 119.54 2f76 h ILE 90 Ca -0.00 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 2f76 h ILE 90 Cb 0.72 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2f76 h ILE 90 CO 0.00 0.32 0.01 0.44 0.00 0.00 0.00 178.15 178.93 2f76 h ASP 91 N 0.00 0.64 -0.71 1.72 3.32 -1.06 -2.75 116.42 117.58 2f76 h ASP 91 Ca -0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2f76 h ASP 91 Cb 0.75 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2f76 h ASP 91 CO 0.04 0.71 0.35 0.11 -1.72 0.00 0.00 179.24 178.73 2f76 h LYS 92 N 0.64 1.02 -6.37 3.56 1.57 -1.47 -3.43 116.57 112.09 2f76 h LYS 92 Ca 0.13 -0.14 -0.63 0.00 -1.87 0.00 0.00 60.65 58.14 2f76 h LYS 92 Cb 0.39 -0.19 0.10 0.00 0.08 0.00 0.00 32.23 32.61 2f76 h LYS 92 CO 0.01 0.79 0.13 1.63 -0.57 0.00 0.00 179.45 181.44 2f76 n LYS 93 N -4.44 1.15 0.00 3.15 5.02 -1.04 -4.76 118.16 117.24 2f76 n LYS 93 Ca 0.06 0.41 0.04 0.00 -2.02 0.00 0.00 58.31 56.80 2f76 n LYS 93 Cb 0.12 -1.80 0.26 0.00 -0.02 0.00 0.00 35.03 33.60 2f76 n LYS 93 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2f76 n GLU 94 N 1.18 0.48 -2.40 1.97 1.02 -1.26 -4.50 120.64 117.13 2f76 n GLU 94 Ca 0.13 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.88 2f76 n GLU 94 Cb 0.28 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.00 3.68 -0.69 2.62 1.01 -1.26 -4.12 120.40 119.65 2f76 s VAL 95 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2f76 s VAL 95 Cb 0.06 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.77 2f76 s VAL 95 CO 0.10 -1.60 0.68 -3.20 0.00 0.00 0.00 175.10 171.08 2f76 n ASN 96 N 10.41 -7.60 -4.75 3.32 5.15 -1.26 -4.70 115.26 115.84 2f76 n ASN 96 Ca 0.20 -0.03 -0.39 0.00 -0.60 0.00 0.00 54.58 53.76 2f76 n ASN 96 Cb 0.50 -5.02 0.04 0.00 -0.53 0.00 0.00 39.78 34.76 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2f76 n PRO 97 N -1.55 1.84 -0.11 1.20 -0.02 -1.26 -4.76 135.00 130.34 2f76 n PRO 97 Ca -0.00 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 2f76 n PRO 97 Cb 0.51 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 2f76 n PRO 97 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2f76 h GLN 98 N 1.67 0.55 -4.30 -0.52 1.08 -1.91 -3.43 115.11 108.25 2f76 h GLN 98 Ca -0.51 -0.16 -0.39 0.00 -1.45 0.00 0.00 58.65 56.15 2f76 h GLN 98 Cb 1.30 -0.06 -0.31 0.00 -0.05 0.00 0.00 27.48 28.35 2f76 h GLN 98 CO 0.58 0.65 -0.77 0.54 -0.95 0.00 0.00 178.83 178.88 2f76 s VAL 99 N -5.14 0.58 0.00 -0.54 0.11 -1.26 -5.27 120.40 108.88 2f76 s VAL 99 Ca -0.13 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2f76 s VAL 99 Cb 0.09 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 2f76 s VAL 99 CO 0.76 0.20 0.00 0.23 -3.33 0.00 0.00 175.10 172.96