#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 0.42 2.99 3.03 0.00 -1.26 -5.04 105.19 105.33 2f76 n GLY 2 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.28 1.73 -0.21 1.61 -0.21 -1.26 -5.10 119.66 113.94 2f76 s GLN 3 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 2f76 s GLN 3 Cb 0.00 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 2f76 s GLN 3 CO 0.00 -0.10 1.48 -1.21 -2.12 0.00 0.00 175.29 173.35 2f76 s GLU 4 N 1.10 3.95 0.00 2.91 2.02 -1.26 -4.97 118.70 122.45 2f76 s GLU 4 Ca -0.06 1.63 0.00 0.00 0.02 0.00 0.00 54.97 56.56 2f76 s GLU 4 Cb -0.14 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.14 2f76 s GLU 4 CO -0.02 -1.09 0.00 -0.11 0.02 0.00 0.00 175.26 174.06 2f76 n LEU 5 N 7.76 0.00 -3.95 1.80 7.94 -1.26 -5.10 117.00 124.20 2f76 n LEU 5 Ca 0.17 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.97 2f76 n LEU 5 Cb 0.45 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 2f76 n LEU 5 CO 0.62 0.00 0.09 -0.94 -1.11 0.00 0.00 177.39 176.06 2f76 s SER 6 N -1.08 -0.05 0.58 1.96 1.04 -1.26 -5.01 113.70 109.87 2f76 s SER 6 Ca 0.00 -0.85 0.30 0.00 0.48 0.00 0.00 55.95 55.88 2f76 s SER 6 Cb 0.00 0.51 1.44 0.00 0.10 0.00 0.00 66.02 68.07 2f76 s SER 6 CO 0.00 -1.01 1.83 1.56 0.98 0.00 0.00 173.24 176.61 2f76 h GLN 7 N 2.38 0.00 -0.92 4.02 4.20 -2.00 0.23 115.11 123.02 2f76 h GLN 7 Ca -0.29 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.47 2f76 h GLN 7 Cb 1.24 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.96 2f76 h GLN 7 CO 0.42 0.00 0.59 0.45 -0.67 0.00 0.00 178.83 179.62 2f76 h HIS 8 N 0.00 1.10 -0.60 2.96 3.86 -1.99 0.38 115.15 120.86 2f76 h HIS 8 Ca 0.32 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 2f76 h HIS 8 Cb 1.56 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.64 2f76 h HIS 8 CO 0.00 0.60 0.27 1.49 0.86 0.00 0.00 177.93 181.14 2f76 h GLU 9 N 1.11 0.88 -0.37 2.45 4.22 -0.95 -2.51 114.58 119.41 2f76 h GLU 9 Ca 0.38 -0.14 -0.09 0.00 0.08 0.00 0.00 59.36 59.59 2f76 h GLU 9 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2f76 h GLU 9 CO -0.15 0.73 -0.14 0.00 -2.18 0.00 0.00 179.01 177.28 2f76 h ARG 10 N 0.83 0.67 -0.14 1.92 3.08 -1.36 -2.70 114.38 116.69 2f76 h ARG 10 Ca 0.20 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2f76 h ARG 10 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2f76 h ARG 10 CO -0.02 0.79 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.74 2f76 h TYR 11 N 0.61 -0.02 -0.24 3.04 3.20 -0.52 -0.03 116.97 123.01 2f76 h TYR 11 Ca 0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2f76 h TYR 11 Cb 0.59 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2f76 h TYR 11 CO 0.03 -0.02 -0.12 -0.24 -1.64 0.00 0.00 178.16 176.16 2f76 h VAL 12 N 0.04 1.21 -0.44 1.81 3.04 -1.43 -2.46 116.25 118.01 2f76 h VAL 12 Ca 0.06 -0.92 -0.10 0.00 -1.01 0.00 0.00 66.70 64.74 2f76 h VAL 12 Cb 0.08 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 2f76 h VAL 12 CO -0.11 0.29 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.30 2f76 h GLU 13 N 0.37 0.81 -0.64 4.17 5.08 -1.04 -2.64 114.58 120.69 2f76 h GLU 13 Ca 0.07 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 2f76 h GLU 13 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2f76 h GLU 13 CO 0.02 0.89 0.06 1.96 -1.00 0.00 0.00 179.01 180.94 2f76 h GLN 14 N 0.73 1.09 -0.31 2.33 4.20 -0.57 -2.77 115.11 119.81 2f76 h GLN 14 Ca 0.12 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2f76 h GLN 14 Cb 0.61 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2f76 h GLN 14 CO 0.04 1.02 0.17 -0.07 -0.67 0.00 0.00 178.83 179.33 2f76 h LEU 15 N 1.01 0.38 -0.42 1.46 3.38 -1.26 -2.34 115.31 117.52 2f76 h LEU 15 Ca 0.19 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2f76 h LEU 15 Cb 0.49 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2f76 h LEU 15 CO 0.02 0.35 0.06 0.50 0.09 0.00 0.00 178.44 179.46 2f76 h LYS 16 N 0.38 0.18 0.35 1.13 3.64 -1.33 0.47 116.57 121.39 2f76 h LYS 16 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2f76 h LYS 16 Cb 0.05 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2f76 h LYS 16 CO -0.02 0.12 -0.21 1.96 -2.27 0.00 0.00 179.45 179.04 2f76 h GLN 17 N 0.19 -0.51 -0.20 1.90 1.08 -1.26 0.51 115.11 116.81 2f76 h GLN 17 Ca 0.20 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 2f76 h GLN 17 Cb 0.26 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2f76 h GLN 17 CO -0.29 -0.34 0.10 0.00 -0.95 0.00 0.00 178.83 177.35 2f76 h ALA 18 N 0.10 0.25 -0.57 3.87 0.00 -1.14 -2.81 119.26 118.97 2f76 h ALA 18 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2f76 h ALA 18 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2f76 h ALA 18 CO 0.05 -0.19 0.17 -0.07 0.00 0.00 0.00 179.25 179.21 2f76 h LEU 19 N 0.19 0.79 -1.26 0.00 -0.00 0.02 -2.44 115.31 112.61 2f76 h LEU 19 Ca 0.07 -0.13 0.09 0.00 -0.00 0.00 0.00 57.88 57.91 2f76 h LEU 19 Cb 0.12 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.51 2f76 h LEU 19 CO -0.01 0.75 0.55 0.50 -0.00 0.00 0.00 178.44 180.23 2f76 h LYS 20 N 0.83 0.82 0.00 1.13 3.64 0.27 0.40 116.57 123.66 2f76 h LYS 20 Ca 0.19 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2f76 h LYS 20 Cb 0.25 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2f76 h LYS 20 CO -0.01 0.54 0.00 0.25 -2.27 0.00 0.00 179.45 177.96 2f76 n THR 21 N -4.51 0.90 1.11 1.00 -2.24 -0.92 -2.14 114.28 107.48 2f76 n THR 21 Ca 0.14 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 2f76 n THR 21 Cb 0.29 -1.05 0.16 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.84 1.03 0.00 -0.78 1.74 0.14 -4.92 116.66 112.03 2f76 n ARG 22 Ca 0.03 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.35 2f76 n ARG 22 Cb 0.20 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 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 1.69 3.76 -0.13 0.00 -0.91 -4.99 105.19 106.00 2f76 n GLY 23 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 5.26 -0.52 1.61 1.01 -1.04 -5.00 120.40 119.71 2f76 s VAL 24 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2f76 s VAL 24 Cb 0.00 -3.35 0.22 0.00 0.00 0.00 0.00 36.38 33.25 2f76 s VAL 24 CO 0.00 0.51 0.54 1.17 0.00 0.00 0.00 175.10 177.32 2f76 n LYS 25 N 2.94 1.31 -4.52 2.72 4.81 -1.26 -4.16 118.16 120.01 2f76 n LYS 25 Ca -0.18 -3.85 -0.22 0.00 -0.87 0.00 0.00 58.31 53.19 2f76 n LYS 25 Cb 0.53 -1.80 -0.16 0.00 0.02 0.00 0.00 35.03 33.62 2f76 n LYS 25 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2f76 s VAL 26 N -1.33 0.99 0.52 3.15 1.01 -1.26 -5.12 120.40 118.36 2f76 s VAL 26 Ca 0.34 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 2f76 s VAL 26 Cb 0.10 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 2f76 s VAL 26 CO -0.11 0.30 1.34 -0.54 0.00 0.00 0.00 175.10 176.09 2f76 s LYS 27 N 0.28 3.29 0.23 2.72 -0.14 -1.26 -4.91 119.74 119.96 2f76 s LYS 27 Ca -0.06 2.20 -0.08 0.00 -1.36 0.00 0.00 55.97 56.67 2f76 s LYS 27 Cb -0.11 -2.33 0.22 0.00 -1.68 0.00 0.00 37.83 33.93 2f76 s LYS 27 CO 0.01 -1.06 1.90 0.10 -0.76 0.00 0.00 175.35 175.55 2f76 h TYR 28 N 1.65 1.10 -0.98 3.18 -0.00 -1.99 -2.04 116.97 117.89 2f76 h TYR 28 Ca -0.51 0.03 0.14 0.00 0.00 0.00 0.00 58.73 58.39 2f76 h TYR 28 Cb 1.29 -0.37 -0.08 0.00 0.00 0.00 0.00 36.73 37.56 2f76 h TYR 28 CO 0.47 0.68 0.62 0.00 -0.00 0.00 0.00 178.16 179.93 2f76 h ALA 29 N 1.33 1.63 -0.01 0.10 0.00 -1.98 0.18 119.26 120.51 2f76 h ALA 29 Ca 0.33 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2f76 h ALA 29 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2f76 h ALA 29 CO -0.08 0.10 -0.06 0.22 0.00 0.00 0.00 179.25 179.43 2f76 h ASP 30 N 0.88 -0.17 -0.67 0.00 1.82 -1.73 0.23 116.42 116.77 2f76 h ASP 30 Ca 0.50 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 57.09 2f76 h ASP 30 Cb 0.62 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 2f76 h ASP 30 CO -0.27 -0.09 0.10 -0.07 -1.61 0.00 0.00 179.24 177.30 2f76 h LEU 31 N -0.09 1.08 -0.17 2.28 3.38 -1.23 0.22 115.31 120.77 2f76 h LEU 31 Ca 0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2f76 h LEU 31 Cb 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2f76 h LEU 31 CO -0.07 1.07 0.09 0.25 0.09 0.00 0.00 178.44 179.87 2f76 h LEU 32 N 1.05 0.21 -0.42 1.67 5.85 -0.27 0.35 115.31 123.75 2f76 h LEU 32 Ca 0.20 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2f76 h LEU 32 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2f76 h LEU 32 CO 0.02 0.24 -0.04 0.11 -0.34 0.00 0.00 178.44 178.42 2f76 h LYS 33 N 0.17 0.76 -0.37 1.25 1.57 -0.43 -2.75 116.57 116.77 2f76 h LYS 33 Ca 0.06 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 2f76 h LYS 33 Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2f76 h LYS 33 CO -0.01 0.86 0.04 0.35 -0.57 0.00 0.00 179.45 180.12 2f76 h PHE 34 N 0.59 0.58 -0.45 -1.35 3.57 -0.34 -1.21 116.94 118.33 2f76 h PHE 34 Ca 0.11 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2f76 h PHE 34 Cb 0.55 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2f76 h PHE 34 CO 0.04 0.54 0.26 0.35 -2.23 0.00 0.00 178.31 177.27 2f76 h PHE 35 N 0.55 0.60 -0.26 0.41 3.04 -0.07 -2.07 116.94 119.14 2f76 h PHE 35 Ca 0.12 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.96 2f76 h PHE 35 Cb 0.29 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 2f76 h PHE 35 CO 0.01 0.43 -0.28 -0.44 -2.02 0.00 0.00 178.31 176.02 2f76 h ASP 36 N 0.59 0.52 -0.13 0.41 3.32 -1.18 -2.39 116.42 117.56 2f76 h ASP 36 Ca 0.16 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2f76 h ASP 36 Cb 0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2f76 h ASP 36 CO -0.03 0.78 0.00 0.15 -1.72 0.00 0.00 179.24 178.43 2f76 h PHE 37 N 0.45 0.00 -0.26 4.55 3.04 -0.66 0.51 116.94 124.57 2f76 h PHE 37 Ca 0.06 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.94 2f76 h PHE 37 Cb 0.71 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2f76 h PHE 37 CO 0.03 -0.01 -0.18 -0.24 -2.02 0.00 0.00 178.31 175.89 2f76 h VAL 38 N 0.05 1.24 -0.23 1.41 3.04 -1.34 -2.33 116.25 118.08 2f76 h VAL 38 Ca 0.06 -1.09 -0.07 0.00 -1.01 0.00 0.00 66.70 64.58 2f76 h VAL 38 Cb 0.07 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2f76 h VAL 38 CO -0.10 0.35 -0.18 0.50 -1.01 0.00 0.00 177.57 177.14 2f76 h LYS 39 N 0.41 0.40 -0.01 4.17 3.64 -0.83 2.77 116.57 127.12 2f76 h LYS 39 Ca 0.07 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2f76 h LYS 39 Cb 0.55 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2f76 h LYS 39 CO 0.04 0.57 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.31 2f76 h ASP 40 N 0.36 0.04 0.13 4.20 3.32 -0.46 -2.94 116.42 121.08 2f76 h ASP 40 Ca 0.06 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2f76 h ASP 40 Cb 0.52 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2f76 h ASP 40 CO 0.03 0.68 -0.45 0.35 -1.72 0.00 0.00 179.24 178.14 2f76 n THR 41 N -4.74 0.00 -3.13 0.35 -2.24 -0.92 -4.61 114.28 98.99 2f76 n THR 41 Ca -0.09 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 2f76 n THR 41 Cb 0.34 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 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 5.46 0.91 0.00 0.00 0.11 -1.56 -3.24 132.00 133.68 2f76 h PRO 43 Ca 0.17 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 2f76 h PRO 43 Cb 1.00 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.92 2f76 h PRO 43 CO 0.21 0.61 0.00 -2.67 -0.21 0.00 0.00 178.00 175.94 2f76 n TRP 44 N -4.56 -2.71 0.00 0.65 2.14 -1.26 -4.89 117.44 106.80 2f76 n TRP 44 Ca 0.17 -0.07 0.00 0.00 2.07 0.00 0.00 57.50 59.67 2f76 n TRP 44 Cb 0.33 -0.09 0.00 0.00 -0.81 0.00 0.00 31.31 30.74 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 -2.87 -0.01 -2.11 -2.67 -0.00 -1.26 -4.86 117.46 103.68 2f76 n PHE 45 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.11 2f76 n PHE 45 Cb 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.54 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 2f76 s PRO 46 N -1.52 3.13 -0.01 -7.13 0.02 -1.26 -4.83 135.00 123.41 2f76 s PRO 46 Ca 0.00 1.69 -0.28 0.00 0.02 0.00 0.00 61.00 62.42 2f76 s PRO 46 Cb 0.00 -1.97 0.09 0.00 0.02 0.00 0.00 34.50 32.64 2f76 s PRO 46 CO 0.00 -1.04 0.78 -1.14 -0.33 0.00 0.00 177.00 175.27 2f76 s GLN 47 N -3.37 0.95 -0.03 5.54 2.00 -1.26 -5.12 119.66 118.37 2f76 s GLN 47 Ca 0.74 -0.08 0.06 0.00 -2.00 0.00 0.00 55.36 54.08 2f76 s GLN 47 Cb -0.26 0.44 -0.02 0.00 0.80 0.00 0.00 33.01 33.97 2f76 s GLN 47 CO 0.31 -0.36 -0.19 -2.00 -0.50 0.00 0.00 175.29 172.54 2f76 s GLU 48 N -2.27 2.31 0.00 1.67 2.12 -1.26 -4.73 118.70 116.54 2f76 s GLU 48 Ca -0.02 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2f76 s GLU 48 Cb -0.01 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2f76 s GLU 48 CO -0.02 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 2f76 n GLY 49 N 2.32 0.33 3.49 -1.50 0.00 -1.26 -5.02 105.19 103.56 2f76 n GLY 49 Ca -0.17 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2f76 n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f76 n THR 50 N 0.00 0.00 -1.01 2.61 -2.24 -1.26 -4.65 114.28 107.73 2f76 n THR 50 Ca 0.00 -0.36 -0.45 0.00 -2.27 0.00 0.00 64.05 60.97 2f76 n THR 50 Cb 0.00 -0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 67.19 2f76 n THR 50 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2f76 n ILE 51 N -4.81 0.00 -0.15 2.28 5.41 -1.26 -4.76 119.36 116.07 2f76 n ILE 51 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.77 2f76 n ILE 51 Cb 0.54 -0.36 0.19 0.00 -0.71 0.00 0.00 39.64 39.30 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 5.49 0.81 0.07 4.38 3.58 -1.85 -1.68 116.42 127.21 2f76 h ASP 52 Ca -0.15 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 2f76 h ASP 52 Cb 1.00 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 2f76 h ASP 52 CO 0.75 0.77 -0.03 0.40 -2.88 0.00 0.00 179.24 178.25 2f76 h ILE 53 N 0.84 0.57 -0.86 2.25 2.04 -1.88 -2.55 117.51 117.92 2f76 h ILE 53 Ca 0.19 -0.11 0.20 0.00 1.00 0.00 0.00 64.86 66.14 2f76 h ILE 53 Cb 0.26 1.07 -0.12 0.00 -0.74 0.00 0.00 36.82 37.29 2f76 h ILE 53 CO -0.01 0.02 0.37 0.50 0.00 0.00 0.00 178.15 179.04 2f76 h LYS 54 N 0.00 0.41 -0.50 2.37 3.64 -1.65 0.48 116.57 121.33 2f76 h LYS 54 Ca -0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2f76 h LYS 54 Cb 0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2f76 h LYS 54 CO 0.00 0.27 0.01 0.00 -2.27 0.00 0.00 179.45 177.47 2f76 h ARG 55 N 0.42 0.83 0.12 1.90 3.08 -1.62 -0.38 114.38 118.73 2f76 h ARG 55 Ca 0.52 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2f76 h ARG 55 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2f76 h ARG 55 CO -0.50 0.82 -0.06 2.35 -1.07 0.00 0.00 179.97 181.52 2f76 h TRP 56 N 0.77 -0.16 -0.33 3.04 7.01 -0.23 -2.50 115.95 123.56 2f76 h TRP 56 Ca 0.15 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 2f76 h TRP 56 Cb 0.45 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2f76 h TRP 56 CO 0.02 0.07 -0.01 0.00 -2.79 0.00 0.00 178.44 175.73 2f76 h ARG 57 N -0.36 0.52 -0.62 2.65 2.47 -1.05 -2.67 114.38 115.32 2f76 h ARG 57 Ca -0.02 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 58.61 2f76 h ARG 57 Cb 0.29 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 2f76 h ARG 57 CO 0.03 0.56 0.39 0.00 0.56 0.00 0.00 179.97 181.50 2f76 h ARG 58 N 0.50 0.75 -0.42 0.04 3.08 -0.89 0.61 114.38 118.05 2f76 h ARG 58 Ca 0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2f76 h ARG 58 Cb 0.34 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2f76 h ARG 58 CO 0.01 0.49 0.16 0.28 -1.07 0.00 0.00 179.97 179.85 2f76 h VAL 59 N 0.77 1.20 -0.08 2.04 2.07 -1.12 -2.42 116.25 118.71 2f76 h VAL 59 Ca 0.25 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2f76 h VAL 59 Cb -0.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2f76 h VAL 59 CO -0.09 0.23 -0.02 1.23 0.02 0.00 0.00 177.57 178.93 2f76 h GLY 60 N 0.53 0.17 0.11 2.17 0.00 -1.14 0.12 103.07 105.03 2f76 h GLY 60 Ca 0.14 -0.15 0.17 0.00 0.00 0.00 0.00 47.33 47.50 2f76 h GLY 60 CO -0.01 0.13 0.47 -0.55 0.00 0.00 0.00 176.54 176.59 2f76 h ASP 61 N -0.18 0.55 0.01 0.19 3.32 0.27 1.45 116.42 122.03 2f76 h ASP 61 Ca 0.02 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2f76 h ASP 61 Cb 0.43 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2f76 h ASP 61 CO 0.01 0.19 -0.00 0.00 -1.72 0.00 0.00 179.24 177.71 2f76 h PHE 63 N -0.92 0.64 -0.99 0.00 -1.00 -0.36 -2.71 116.94 111.61 2f76 h PHE 63 Ca -0.00 -0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.80 2f76 h PHE 63 Cb 0.82 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 40.13 2f76 h PHE 63 CO 0.22 0.57 0.64 1.96 -1.61 0.00 0.00 178.31 180.09 2f76 h GLN 64 N 0.52 1.08 -0.27 1.51 4.20 0.19 0.49 115.11 122.82 2f76 h GLN 64 Ca 0.13 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2f76 h GLN 64 Cb 0.22 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2f76 h GLN 64 CO -0.01 0.71 0.14 -0.44 -0.67 0.00 0.00 178.83 178.57 2f76 h ASP 65 N 1.11 0.22 -0.19 1.46 3.32 -1.33 0.28 116.42 121.29 2f76 h ASP 65 Ca 0.44 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.36 2f76 h ASP 65 Cb 0.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2f76 h ASP 65 CO -0.19 0.16 -0.44 0.22 -1.72 0.00 0.00 179.24 177.28 2f76 h TYR 66 N 0.30 0.81 -0.17 4.55 3.20 -1.17 -2.57 116.97 121.91 2f76 h TYR 66 Ca 0.11 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 2f76 h TYR 66 Cb 0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2f76 h TYR 66 CO -0.09 1.07 0.10 -0.92 -1.64 0.00 0.00 178.16 176.68 2f76 h TYR 67 N 0.31 0.24 -0.65 -3.82 3.20 0.16 0.43 116.97 116.84 2f76 h TYR 67 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2f76 h TYR 67 Cb 1.05 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 2f76 h TYR 67 CO 0.09 0.23 0.32 -0.91 -1.64 0.00 0.00 178.16 176.25 2f76 h ASN 68 N 0.18 0.85 -0.31 -2.11 -0.26 -0.49 0.27 115.58 113.72 2f76 h ASN 68 Ca 0.06 -0.13 -0.13 0.00 -0.56 0.00 0.00 56.30 55.55 2f76 h ASN 68 Cb 0.07 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 2f76 h ASN 68 CO -0.01 0.73 -0.26 0.71 -1.06 0.00 0.00 177.43 177.54 2f76 h THR 69 N 0.90 1.27 -0.52 2.81 1.35 -1.25 -3.04 112.91 114.43 2f76 h THR 69 Ca 0.22 -1.40 -0.04 0.00 -0.55 0.00 0.00 66.41 64.64 2f76 h THR 69 Cb 0.11 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2f76 h THR 69 CO -0.03 0.47 0.18 0.15 -0.25 0.00 0.00 175.52 176.04 2f76 h PHE 70 N 0.69 0.83 0.00 4.73 3.57 0.34 -3.48 116.94 123.61 2f76 h PHE 70 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2f76 h PHE 70 Cb 0.80 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2f76 h PHE 70 CO 0.04 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.24 2f76 n GLY 71 N -0.72 0.22 3.46 2.40 0.00 0.04 -5.08 105.19 105.50 2f76 n GLY 71 Ca 0.02 0.15 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f76 n PRO 72 N 0.00 1.03 -0.13 1.61 -0.04 -1.16 -4.75 135.00 131.55 2f76 n PRO 72 Ca 0.00 0.26 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2f76 n PRO 72 Cb 0.00 -2.49 0.30 0.00 -0.04 0.00 0.00 33.50 31.27 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2f76 n GLU 73 N 8.29 1.90 -0.30 0.54 0.28 -1.26 -3.56 120.64 126.53 2f76 n GLU 73 Ca 0.42 -1.37 0.30 0.00 -0.16 0.00 0.00 57.16 56.34 2f76 n GLU 73 Cb 0.24 -1.39 0.54 0.00 1.43 0.00 0.00 31.44 32.27 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 0.60 -0.05 -3.89 3.44 4.81 -1.26 -2.39 118.16 119.41 2f76 n LYS 74 Ca 0.16 1.25 -0.29 0.00 -0.87 0.00 0.00 58.31 58.55 2f76 n LYS 74 Cb 0.37 -2.25 -0.13 0.00 0.02 0.00 0.00 35.03 33.04 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 -5.36 2.50 0.62 3.15 -7.23 -1.26 -4.63 120.40 108.19 2f76 s VAL 75 Ca -0.08 -3.53 -0.19 0.00 -1.81 0.00 0.00 61.98 56.37 2f76 s VAL 75 Cb 0.31 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2f76 s VAL 75 CO 0.71 -0.89 1.31 -2.84 -0.31 0.00 0.00 175.10 173.08 2f76 s PRO 76 N -0.59 2.69 0.47 4.82 0.02 -1.01 -4.65 135.00 136.75 2f76 s PRO 76 Ca 0.20 2.11 0.26 0.00 0.02 0.00 0.00 61.00 63.59 2f76 s PRO 76 Cb -0.18 -1.94 1.10 0.00 0.02 0.00 0.00 34.50 33.50 2f76 s PRO 76 CO -0.06 -1.51 1.90 -0.39 -0.33 0.00 0.00 177.00 176.61 2f76 h VAL 77 N 0.75 0.47 0.00 3.83 -1.51 -1.92 -3.08 116.25 114.79 2f76 h VAL 77 Ca -0.51 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 2f76 h VAL 77 Cb 1.33 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 2f76 h VAL 77 CO 0.54 0.17 0.53 0.35 -1.23 0.00 0.00 177.57 177.93 2f76 n THR 78 N -3.39 0.30 0.24 7.19 -2.24 -1.26 0.06 114.28 115.18 2f76 n THR 78 Ca -0.00 0.72 0.17 0.00 -2.27 0.00 0.00 64.05 62.66 2f76 n THR 78 Cb 0.37 -1.72 0.87 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.53 1.67 -0.06 6.98 0.00 -1.93 -1.83 119.26 124.63 2f76 h ALA 79 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f76 h ALA 79 Cb 1.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2f76 h ALA 79 CO 0.00 -0.22 0.03 0.35 0.00 0.00 0.00 179.25 179.41 2f76 h PHE 80 N 0.00 0.05 -0.47 0.00 3.04 -0.68 0.21 116.94 119.09 2f76 h PHE 80 Ca 0.06 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 2f76 h PHE 80 Cb 0.37 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2f76 h PHE 80 CO 0.00 0.03 0.20 1.03 -2.02 0.00 0.00 178.31 177.55 2f76 h SER 81 N 0.06 0.63 -1.00 0.41 0.87 -1.57 -2.12 113.55 110.83 2f76 h SER 81 Ca 0.02 -0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2f76 h SER 81 Cb 0.00 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.73 2f76 h SER 81 CO -0.02 0.61 0.64 0.22 -0.53 0.00 0.00 176.83 177.75 2f76 h TYR 82 N 0.61 1.17 -0.12 2.24 3.20 -1.33 0.14 116.97 122.89 2f76 h TYR 82 Ca 0.16 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 2f76 h TYR 82 Cb 0.16 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2f76 h TYR 82 CO -0.00 0.55 -0.15 2.35 -1.64 0.00 0.00 178.16 179.27 2f76 h TRP 83 N 1.10 0.19 -0.58 -3.82 7.01 -0.34 -2.68 115.95 116.83 2f76 h TRP 83 Ca 0.46 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.50 2f76 h TRP 83 Cb 0.30 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.26 2f76 h TRP 83 CO -0.00 0.33 0.30 -0.97 -2.79 0.00 0.00 178.44 175.30 2f76 h ASN 84 N 0.17 0.42 -0.67 2.65 -0.73 -0.09 0.19 115.58 117.52 2f76 h ASN 84 Ca 0.03 0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 2f76 h ASN 84 Cb 0.37 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 2f76 h ASN 84 CO 0.02 0.27 0.27 -0.07 -0.37 0.00 0.00 177.43 177.55 2f76 h LEU 85 N 0.56 0.94 -0.61 0.34 -0.00 -1.39 -2.58 115.31 112.57 2f76 h LEU 85 Ca 0.26 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2f76 h LEU 85 Cb 0.19 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 2f76 h LEU 85 CO -0.19 0.84 0.27 0.40 -0.00 0.00 0.00 178.44 179.76 2f76 h ILE 86 N 1.00 1.22 -0.82 1.22 2.04 -1.05 -2.12 117.51 118.99 2f76 h ILE 86 Ca 0.23 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.53 2f76 h ILE 86 Cb 0.20 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 2f76 h ILE 86 CO -0.02 0.26 0.47 0.11 0.00 0.00 0.00 178.15 178.97 2f76 h LYS 87 N 0.84 0.76 0.00 2.37 1.57 -0.63 0.29 116.57 121.76 2f76 h LYS 87 Ca 0.21 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2f76 h LYS 87 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2f76 h LYS 87 CO -0.02 0.50 -0.27 0.93 -0.57 0.00 0.00 179.45 180.02 2f76 h GLU 88 N 0.78 0.00 0.03 3.15 5.08 -1.26 0.06 114.58 122.42 2f76 h GLU 88 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2f76 h GLU 88 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2f76 h GLU 88 CO -0.25 0.27 -0.01 1.25 -1.00 0.00 0.00 179.01 179.27 2f76 h LEU 89 N 0.00 -0.03 -0.27 1.33 5.85 0.14 -3.20 115.31 119.13 2f76 h LEU 89 Ca -0.00 -0.67 -0.15 0.00 0.84 0.00 0.00 57.88 57.89 2f76 h LEU 89 Cb 0.59 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2f76 h LEU 89 CO 0.04 0.69 -0.42 0.40 -0.34 0.00 0.00 178.44 178.80 2f76 h ILE 90 N -0.78 1.30 -0.76 4.05 2.04 -1.05 -3.17 117.51 119.13 2f76 h ILE 90 Ca -0.00 -1.62 0.15 0.00 1.00 0.00 0.00 64.86 64.39 2f76 h ILE 90 Cb 0.70 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 38.35 2f76 h ILE 90 CO 0.01 0.52 0.28 0.44 0.00 0.00 0.00 178.15 179.40 2f76 h ASP 91 N 0.50 0.23 -0.76 1.72 3.32 -1.11 0.22 116.42 120.54 2f76 h ASP 91 Ca 0.02 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2f76 h ASP 91 Cb 1.02 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 2f76 h ASP 91 CO 0.10 0.06 0.42 0.11 -1.72 0.00 0.00 179.24 178.22 2f76 h LYS 92 N 0.40 1.05 -0.73 3.56 1.57 -1.54 -2.48 116.57 118.40 2f76 h LYS 92 Ca 0.43 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2f76 h LYS 92 Cb 0.68 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2f76 h LYS 92 CO -0.44 0.78 0.23 0.87 -0.57 0.00 0.00 179.45 180.32 2f76 h LYS 93 N 1.05 1.13 0.00 3.15 1.57 -0.69 -2.38 116.57 120.40 2f76 h LYS 93 Ca 0.27 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2f76 h LYS 93 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2f76 h LYS 93 CO -0.04 0.96 0.68 1.49 -0.57 0.00 0.00 179.45 181.97 2f76 h GLU 94 N 1.08 0.00 -5.32 3.15 4.81 -0.23 -3.31 114.58 114.76 2f76 h GLU 94 Ca 0.24 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.79 2f76 h GLU 94 Cb 0.30 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.35 2f76 h GLU 94 CO -0.01 0.00 -0.88 0.08 -0.73 0.00 0.00 179.01 177.48 2f76 s VAL 95 N -3.53 2.09 -0.80 0.32 1.01 -0.90 -4.80 120.40 113.79 2f76 s VAL 95 Ca -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2f76 s VAL 95 Cb 0.02 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2f76 s VAL 95 CO 0.06 0.56 0.69 -3.20 0.00 0.00 0.00 175.10 173.21 2f76 n ASN 96 N 3.58 -6.82 -0.34 3.32 4.05 -1.26 -4.87 115.26 112.93 2f76 n ASN 96 Ca -0.19 -0.40 0.10 0.00 0.45 0.00 0.00 54.58 54.54 2f76 n ASN 96 Cb 0.53 -4.21 0.27 0.00 1.23 0.00 0.00 39.78 37.60 2f76 n ASN 96 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2f76 h PRO 97 N 0.06 0.77 -6.80 1.20 0.11 -1.87 -3.41 132.00 122.05 2f76 h PRO 97 Ca -0.24 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.31 2f76 h PRO 97 Cb 1.14 -0.17 0.05 0.00 0.11 0.00 0.00 31.00 32.13 2f76 h PRO 97 CO 0.33 0.51 0.66 -1.14 -0.21 0.00 0.00 178.00 178.15 2f76 s GLN 98 N -5.92 4.36 -0.08 1.05 0.74 -1.26 -5.02 119.66 113.53 2f76 s GLN 98 Ca -0.12 2.17 0.03 0.00 0.05 0.00 0.00 55.36 57.49 2f76 s GLN 98 Cb 0.23 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 31.23 2f76 s GLN 98 CO 0.80 -0.22 -0.20 0.08 -0.55 0.00 0.00 175.29 175.20 2f76 s VAL 99 N -0.60 1.70 0.00 1.34 1.01 -1.26 -5.17 120.40 117.42 2f76 s VAL 99 Ca 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2f76 s VAL 99 Cb -0.39 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2f76 s VAL 99 CO 0.46 0.48 0.00 0.23 0.00 0.00 0.00 175.10 176.28