#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 0.76 0.24 3.03 0.00 -1.26 -4.92 105.19 103.04 2f76 n GLY 2 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2f76 n GLY 2 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2f76 h GLN 3 N 3.47 0.19 -5.47 1.61 1.08 -2.05 -3.39 115.11 110.56 2f76 h GLN 3 Ca 0.00 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 2f76 h GLN 3 Cb 0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2f76 h GLN 3 CO 0.00 0.30 0.28 -1.21 -0.95 0.00 0.00 178.83 177.24 2f76 s GLU 4 N -4.81 1.89 0.09 1.46 2.02 -1.26 -4.77 118.70 113.32 2f76 s GLU 4 Ca -0.05 0.29 -0.20 0.00 0.02 0.00 0.00 54.97 55.03 2f76 s GLU 4 Cb 0.16 -4.86 -0.09 0.00 0.10 0.00 0.00 34.13 29.45 2f76 s GLU 4 CO 0.72 -4.11 1.60 -0.07 0.02 0.00 0.00 175.26 173.42 2f76 h LEU 5 N 21.10 0.30 0.00 1.80 3.38 -1.97 -3.48 115.31 136.45 2f76 h LEU 5 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2f76 h LEU 5 Cb 1.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2f76 h LEU 5 CO 1.07 0.43 -0.02 -1.54 0.09 0.00 0.00 178.44 178.47 2f76 n SER 6 N -4.79 -0.46 0.27 -0.43 3.41 -1.26 -5.02 113.62 105.35 2f76 n SER 6 Ca -0.04 -1.54 0.13 0.00 -0.26 0.00 0.00 58.87 57.15 2f76 n SER 6 Cb 0.15 0.82 0.76 0.00 -0.26 0.00 0.00 64.21 65.69 2f76 n SER 6 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2f76 h GLN 7 N 0.00 0.00 0.02 4.33 5.75 -1.99 -2.74 115.11 120.48 2f76 h GLN 7 Ca -0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2f76 h GLN 7 Cb 0.35 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 2f76 h GLN 7 CO 0.11 0.09 -0.03 0.45 -2.65 0.00 0.00 178.83 176.80 2f76 h HIS 8 N 0.00 -0.07 -0.68 3.99 3.86 -1.99 0.48 115.15 120.74 2f76 h HIS 8 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2f76 h HIS 8 Cb 0.23 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2f76 h HIS 8 CO 0.00 -0.04 0.18 0.93 0.86 0.00 0.00 177.93 179.86 2f76 h GLU 9 N -0.06 1.06 -0.25 2.45 5.08 -1.90 -2.42 114.58 118.54 2f76 h GLU 9 Ca 0.00 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 2f76 h GLU 9 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2f76 h GLU 9 CO -0.01 0.93 -0.25 0.00 -1.00 0.00 0.00 179.01 178.67 2f76 h ARG 10 N 1.01 0.49 0.13 2.33 3.08 -1.27 -2.65 114.38 117.50 2f76 h ARG 10 Ca 0.22 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2f76 h ARG 10 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2f76 h ARG 10 CO -0.00 0.71 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.62 2f76 h TYR 11 N 0.43 -0.16 -0.15 3.04 3.20 0.44 -1.50 116.97 122.27 2f76 h TYR 11 Ca 0.06 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2f76 h TYR 11 Cb 0.67 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2f76 h TYR 11 CO 0.02 -0.04 -0.08 -0.24 -1.64 0.00 0.00 178.16 176.18 2f76 h VAL 12 N -0.23 1.15 -0.48 1.81 3.04 -1.48 -2.08 116.25 117.98 2f76 h VAL 12 Ca -0.02 -0.63 -0.09 0.00 -1.01 0.00 0.00 66.70 64.95 2f76 h VAL 12 Cb 0.18 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 2f76 h VAL 12 CO 0.03 0.20 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.39 2f76 h GLU 13 N 0.22 0.85 -0.58 4.17 5.08 -1.09 -2.26 114.58 120.97 2f76 h GLU 13 Ca 0.05 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 2f76 h GLU 13 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2f76 h GLU 13 CO 0.01 0.89 0.05 1.96 -1.00 0.00 0.00 179.01 180.92 2f76 h GLN 14 N 0.77 0.96 -0.69 2.33 4.20 -0.59 -2.66 115.11 119.43 2f76 h GLN 14 Ca 0.14 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 2f76 h GLN 14 Cb 0.56 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2f76 h GLN 14 CO 0.03 0.92 0.25 -0.07 -0.67 0.00 0.00 178.83 179.29 2f76 h LEU 15 N 0.90 0.98 -0.44 1.46 3.38 -1.17 -2.51 115.31 117.91 2f76 h LEU 15 Ca 0.17 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2f76 h LEU 15 Cb 0.45 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2f76 h LEU 15 CO 0.02 0.91 0.19 0.50 0.09 0.00 0.00 178.44 180.14 2f76 h LYS 16 N 1.00 0.38 0.25 1.13 3.64 -1.07 0.64 116.57 122.54 2f76 h LYS 16 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2f76 h LYS 16 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2f76 h LYS 16 CO -0.01 0.25 -0.12 1.96 -2.27 0.00 0.00 179.45 179.26 2f76 h GLN 17 N 0.39 -0.32 -0.38 1.90 1.08 -1.29 0.27 115.11 116.76 2f76 h GLN 17 Ca 0.20 0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2f76 h GLN 17 Cb 0.14 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2f76 h GLN 17 CO -0.17 -0.15 0.08 0.00 -0.95 0.00 0.00 178.83 177.65 2f76 h ALA 18 N 0.32 0.50 -0.78 3.87 0.00 -1.25 -2.82 119.26 119.10 2f76 h ALA 18 Ca -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2f76 h ALA 18 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2f76 h ALA 18 CO 0.06 0.19 0.32 -0.07 0.00 0.00 0.00 179.25 179.74 2f76 h LEU 19 N 0.47 1.06 -0.98 0.00 3.38 0.34 -2.61 115.31 116.99 2f76 h LEU 19 Ca 0.12 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2f76 h LEU 19 Cb 0.33 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2f76 h LEU 19 CO 0.00 0.94 0.63 0.50 0.09 0.00 0.00 178.44 180.61 2f76 h LYS 20 N 1.13 1.17 0.00 1.13 3.64 -0.28 0.96 116.57 124.32 2f76 h LYS 20 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2f76 h LYS 20 Cb 0.20 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2f76 h LYS 20 CO -0.02 0.77 0.00 0.25 -2.27 0.00 0.00 179.45 178.18 2f76 n THR 21 N -4.48 0.75 1.09 1.00 -2.24 -1.00 -2.24 114.28 107.16 2f76 n THR 21 Ca 0.14 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 2f76 n THR 21 Cb 0.12 -0.95 0.25 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.91 0.37 0.00 -0.78 5.12 0.26 -4.91 116.66 114.81 2f76 n ARG 22 Ca 0.04 -0.23 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 2f76 n ARG 22 Cb 0.25 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.44 1.61 3.71 -0.13 0.00 -0.95 -4.99 105.19 105.88 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 5.39 -0.67 1.61 1.01 -0.77 -4.99 120.40 119.97 2f76 s VAL 24 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2f76 s VAL 24 Cb 0.00 -3.47 0.21 0.00 0.00 0.00 0.00 36.38 33.12 2f76 s VAL 24 CO 0.00 0.42 0.63 0.29 0.00 0.00 0.00 175.10 176.45 2f76 n LYS 25 N 3.67 2.22 -4.48 2.72 5.02 -1.26 -4.12 118.16 121.94 2f76 n LYS 25 Ca -0.16 -4.59 -0.20 0.00 -2.02 0.00 0.00 58.31 51.33 2f76 n LYS 25 Cb 0.52 -2.28 -0.15 0.00 -0.02 0.00 0.00 35.03 33.10 2f76 n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2f76 s VAL 26 N -2.02 0.88 0.67 -0.18 1.01 -1.26 -5.11 120.40 114.39 2f76 s VAL 26 Ca 0.33 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2f76 s VAL 26 Cb 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2f76 s VAL 26 CO -0.08 0.25 1.18 -0.54 0.00 0.00 0.00 175.10 175.91 2f76 s LYS 27 N -0.16 2.58 0.12 2.72 1.02 -1.26 -4.94 119.74 119.82 2f76 s LYS 27 Ca 0.02 1.68 -0.18 0.00 0.02 0.00 0.00 55.97 57.52 2f76 s LYS 27 Cb -0.05 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 2f76 s LYS 27 CO -0.00 -1.48 1.72 -0.92 -0.92 0.00 0.00 175.35 173.75 2f76 h TYR 28 N 0.17 0.39 -0.83 3.18 3.20 -2.00 -2.56 116.97 118.52 2f76 h TYR 28 Ca -0.48 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.50 2f76 h TYR 28 Cb 1.28 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.37 2f76 h TYR 28 CO 0.49 0.33 0.54 0.00 -1.64 0.00 0.00 178.16 177.88 2f76 h ALA 29 N 1.02 1.84 0.10 1.82 0.00 -1.98 -0.58 119.26 121.49 2f76 h ALA 29 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2f76 h ALA 29 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2f76 h ALA 29 CO -0.02 -0.05 -0.13 0.22 0.00 0.00 0.00 179.25 179.28 2f76 h ASP 30 N 0.67 -0.34 -0.72 0.00 1.82 -1.83 0.28 116.42 116.30 2f76 h ASP 30 Ca 0.40 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 57.01 2f76 h ASP 30 Cb 0.62 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.73 2f76 h ASP 30 CO -0.16 -0.19 0.19 -0.07 -1.61 0.00 0.00 179.24 177.40 2f76 h LEU 31 N -0.27 1.08 -0.33 2.28 3.38 -1.33 0.22 115.31 120.34 2f76 h LEU 31 Ca 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2f76 h LEU 31 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2f76 h LEU 31 CO -0.05 1.02 0.17 0.25 0.09 0.00 0.00 178.44 179.93 2f76 h LEU 32 N 1.09 0.43 -0.36 1.67 5.85 -0.73 0.37 115.31 123.62 2f76 h LEU 32 Ca 0.23 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2f76 h LEU 32 Cb 0.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2f76 h LEU 32 CO -0.00 0.41 -0.06 0.11 -0.34 0.00 0.00 178.44 178.56 2f76 h LYS 33 N 0.41 0.68 -0.68 1.25 1.57 -0.22 -2.41 116.57 117.16 2f76 h LYS 33 Ca 0.12 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2f76 h LYS 33 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2f76 h LYS 33 CO -0.02 0.82 0.35 0.35 -0.57 0.00 0.00 179.45 180.39 2f76 h PHE 34 N 0.48 0.95 -0.87 -1.35 3.57 -0.33 -1.79 116.94 117.60 2f76 h PHE 34 Ca 0.10 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2f76 h PHE 34 Cb 0.55 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2f76 h PHE 34 CO 0.05 0.69 0.57 0.35 -2.23 0.00 0.00 178.31 177.73 2f76 h PHE 35 N 0.93 1.06 0.00 0.41 3.04 -0.14 -0.17 116.94 122.07 2f76 h PHE 35 Ca 0.24 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.16 2f76 h PHE 35 Cb 0.07 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 2f76 h PHE 35 CO -0.00 0.62 -0.24 -0.44 -2.02 0.00 0.00 178.31 176.23 2f76 h ASP 36 N 1.11 0.00 0.31 0.41 3.32 -1.01 -2.27 116.42 118.29 2f76 h ASP 36 Ca 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 2f76 h ASP 36 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2f76 h ASP 36 CO -0.11 0.24 -0.15 0.15 -1.72 0.00 0.00 179.24 177.65 2f76 h PHE 37 N 0.00 -0.39 -0.25 4.55 3.04 -0.17 -0.53 116.94 123.19 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 0.67 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 2f76 h PHE 37 CO 0.00 -0.11 -0.22 -0.24 -2.02 0.00 0.00 178.31 175.71 2f76 h VAL 38 N -0.64 1.26 -0.44 1.41 3.04 -1.48 -2.74 116.25 116.65 2f76 h VAL 38 Ca -0.04 -1.20 -0.02 0.00 -1.01 0.00 0.00 66.70 64.42 2f76 h VAL 38 Cb 0.45 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.02 2f76 h VAL 38 CO 0.07 0.38 0.19 0.50 -1.01 0.00 0.00 177.57 177.70 2f76 h LYS 39 N 0.42 0.66 -0.39 4.17 3.64 -1.29 3.80 116.57 127.59 2f76 h LYS 39 Ca 0.07 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2f76 h LYS 39 Cb 0.62 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2f76 h LYS 39 CO 0.04 0.60 0.16 -0.44 -2.27 0.00 0.00 179.45 177.54 2f76 h ASP 40 N 0.58 0.53 0.04 4.20 3.32 -0.93 -2.07 116.42 122.09 2f76 h ASP 40 Ca 0.15 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2f76 h ASP 40 Cb 0.18 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2f76 h ASP 40 CO -0.01 0.55 -0.41 0.35 -1.72 0.00 0.00 179.24 177.99 2f76 n THR 41 N -4.66 0.00 -2.94 0.35 -2.24 -1.05 -4.73 114.28 99.01 2f76 n THR 41 Ca -0.00 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 2f76 n THR 41 Cb 0.14 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 5.81 0.19 -7.10 0.00 0.11 -1.40 -3.17 132.00 126.44 2f76 h PRO 43 Ca 0.04 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.65 2f76 h PRO 43 Cb 1.15 -0.04 0.04 0.00 0.11 0.00 0.00 31.00 32.26 2f76 h PRO 43 CO 0.03 0.20 0.39 1.67 -0.21 0.00 0.00 178.00 180.08 2f76 s TRP 44 N -5.03 2.95 -0.32 0.65 -2.14 -1.26 -4.90 118.94 108.90 2f76 s TRP 44 Ca -0.06 1.56 0.10 0.00 2.66 0.00 0.00 56.10 60.36 2f76 s TRP 44 Cb 0.17 -3.08 0.33 0.00 -3.10 0.00 0.00 33.47 27.79 2f76 s TRP 44 CO 0.70 -0.98 1.34 1.97 -2.66 0.00 0.00 176.95 177.33 2f76 n PHE 45 N -1.22 -1.84 -1.03 1.66 1.16 -1.26 -4.94 117.46 110.00 2f76 n PHE 45 Ca 0.09 -1.51 -0.32 0.00 -1.87 0.00 0.00 57.45 53.84 2f76 n PHE 45 Cb 0.52 1.44 0.00 0.00 -1.61 0.00 0.00 39.48 39.84 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 2f76 n PRO 46 N -1.03 0.00 -4.24 3.97 -0.02 -1.26 -4.99 135.00 127.43 2f76 n PRO 46 Ca -0.12 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.17 2f76 n PRO 46 Cb 0.81 -0.81 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 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 -0.81 0.73 0.36 -0.52 -1.52 -1.26 -4.65 119.66 111.99 2f76 s GLN 47 Ca 0.47 -0.20 0.04 0.00 -1.95 0.00 0.00 55.36 53.71 2f76 s GLN 47 Cb -0.45 -0.71 -0.04 0.00 -0.22 0.00 0.00 33.01 31.59 2f76 s GLN 47 CO 0.52 0.05 0.12 -1.21 -0.25 0.00 0.00 175.29 174.52 2f76 s GLU 48 N 0.32 1.77 0.16 2.91 2.02 -1.26 -5.06 118.70 119.57 2f76 s GLU 48 Ca -0.04 -2.04 -0.15 0.00 0.02 0.00 0.00 54.97 52.76 2f76 s GLU 48 Cb -0.08 -0.54 0.05 0.00 0.10 0.00 0.00 34.13 33.66 2f76 s GLU 48 CO 0.00 -0.40 1.81 0.78 0.02 0.00 0.00 175.26 177.47 2f76 h GLY 49 N 1.98 0.71 -1.54 -1.39 0.00 -2.02 -3.44 103.07 97.38 2f76 h GLY 49 Ca -0.36 -0.28 -0.48 0.00 0.00 0.00 0.00 47.33 46.21 2f76 h GLY 49 CO 0.59 0.28 0.21 -0.51 0.00 0.00 0.00 176.54 177.10 2f76 s THR 50 N -6.05 3.77 -0.39 4.70 -4.23 -1.26 -4.73 115.64 107.44 2f76 s THR 50 Ca -0.13 0.11 -0.33 0.00 -1.18 0.00 0.00 61.69 60.16 2f76 s THR 50 Cb 0.12 -3.50 -0.11 0.00 1.34 0.00 0.00 72.50 70.34 2f76 s THR 50 CO 0.74 -0.54 2.25 -0.38 -0.54 0.00 0.00 174.62 176.16 2f76 n ILE 51 N -2.62 0.16 0.00 2.99 5.41 -1.26 -4.69 119.36 119.36 2f76 n ILE 51 Ca 0.05 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2f76 n ILE 51 Cb 0.57 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 10.78 3.62 0.22 4.38 2.03 -1.26 -4.63 116.55 131.69 2f76 n ASP 52 Ca 0.41 -0.04 0.16 0.00 0.52 0.00 0.00 54.79 55.83 2f76 n ASP 52 Cb 0.28 0.81 0.78 0.00 -0.72 0.00 0.00 41.12 42.27 2f76 n ASP 52 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2f76 h ILE 53 N 0.00 0.00 -1.13 5.18 2.04 -1.83 -2.65 117.51 119.12 2f76 h ILE 53 Ca 0.00 -0.10 0.33 0.00 1.00 0.00 0.00 64.86 66.09 2f76 h ILE 53 Cb 0.00 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2f76 h ILE 53 CO 0.00 0.00 0.91 0.50 0.00 0.00 0.00 178.15 179.56 2f76 h LYS 54 N 0.00 0.00 -0.60 2.37 3.64 -1.97 1.59 116.57 121.60 2f76 h LYS 54 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2f76 h LYS 54 Cb 0.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2f76 h LYS 54 CO 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.17 2f76 h ARG 55 N 0.00 1.06 0.09 1.90 3.08 -1.85 0.61 114.38 119.27 2f76 h ARG 55 Ca 0.54 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2f76 h ARG 55 Cb 2.34 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.30 2f76 h ARG 55 CO -0.01 1.04 -0.04 2.35 -1.07 0.00 0.00 179.97 182.24 2f76 h TRP 56 N 0.97 -0.11 -0.38 3.04 7.01 0.21 -2.75 115.95 123.92 2f76 h TRP 56 Ca 0.17 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.12 2f76 h TRP 56 Cb 0.57 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 2f76 h TRP 56 CO 0.04 0.05 0.03 0.00 -2.79 0.00 0.00 178.44 175.77 2f76 h ARG 57 N -0.26 0.60 -0.59 2.65 -0.00 -1.40 -2.53 114.38 112.84 2f76 h ARG 57 Ca -0.01 -0.13 0.09 0.00 -0.50 0.00 0.00 59.98 59.43 2f76 h ARG 57 Cb 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 29.97 30.03 2f76 h ARG 57 CO 0.02 0.60 0.23 0.00 0.00 0.00 0.00 179.97 180.82 2f76 h ARG 58 N 0.57 0.40 -0.39 0.04 3.08 -0.60 0.51 114.38 117.99 2f76 h ARG 58 Ca 0.12 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2f76 h ARG 58 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2f76 h ARG 58 CO 0.01 0.27 -0.14 0.28 -1.07 0.00 0.00 179.97 179.32 2f76 h VAL 59 N 0.41 1.28 -0.00 2.04 2.07 -1.22 -2.35 116.25 118.47 2f76 h VAL 59 Ca 0.29 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2f76 h VAL 59 Cb 0.34 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2f76 h VAL 59 CO -0.29 0.41 0.00 1.23 0.02 0.00 0.00 177.57 178.95 2f76 h GLY 60 N 0.58 0.01 0.64 2.17 0.00 -0.89 0.12 103.07 105.69 2f76 h GLY 60 Ca 0.09 -0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.49 2f76 h GLY 60 CO 0.05 0.00 0.41 -1.80 0.00 0.00 0.00 176.54 175.20 2f76 h ASP 61 N -0.11 0.61 0.59 0.19 3.58 -0.03 1.35 116.42 122.60 2f76 h ASP 61 Ca 0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2f76 h ASP 61 Cb 0.12 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.09 2f76 h ASP 61 CO -0.00 0.38 -0.28 0.00 -2.88 0.00 0.00 179.24 176.46 2f76 h PHE 63 N -1.12 0.74 -0.80 0.00 0.04 -0.63 -2.00 116.94 113.18 2f76 h PHE 63 Ca -0.08 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.71 2f76 h PHE 63 Cb 0.65 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 2f76 h PHE 63 CO 0.01 0.55 0.53 0.37 -0.60 0.00 0.00 178.31 179.17 2f76 h GLN 64 N 0.76 0.95 -0.25 1.51 4.15 0.18 0.27 115.11 122.68 2f76 h GLN 64 Ca 0.19 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2f76 h GLN 64 Cb 0.08 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 2f76 h GLN 64 CO -0.03 0.63 0.11 -0.44 -1.93 0.00 0.00 178.83 177.18 2f76 h ASP 65 N 0.98 0.34 -0.29 -0.69 3.32 -0.80 0.49 116.42 119.78 2f76 h ASP 65 Ca 0.32 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2f76 h ASP 65 Cb 0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2f76 h ASP 65 CO -0.10 0.39 -0.19 0.22 -1.72 0.00 0.00 179.24 177.84 2f76 h TYR 66 N 0.26 0.76 -0.18 4.55 3.20 -1.33 -0.57 116.97 123.66 2f76 h TYR 66 Ca 0.08 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2f76 h TYR 66 Cb 0.15 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2f76 h TYR 66 CO -0.01 0.91 0.04 1.88 -1.64 0.00 0.00 178.16 179.33 2f76 h TYR 67 N 0.39 0.30 -0.54 -3.82 -1.99 -0.35 -1.71 116.97 109.24 2f76 h TYR 67 Ca 0.06 -0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 2f76 h TYR 67 Cb 0.73 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 2f76 h TYR 67 CO 0.07 0.42 -0.00 -0.91 -0.00 0.00 0.00 178.16 177.74 2f76 h ASN 68 N 0.10 0.94 -0.13 3.88 -0.26 0.24 0.44 115.58 120.78 2f76 h ASN 68 Ca 0.06 -0.31 -0.00 0.00 -0.56 0.00 0.00 56.30 55.49 2f76 h ASN 68 Cb 0.27 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 2f76 h ASN 68 CO 0.00 1.02 0.08 0.71 -1.06 0.00 0.00 177.43 178.18 2f76 h THR 69 N 0.83 1.06 -0.38 2.81 1.35 -1.03 -2.51 112.91 115.03 2f76 h THR 69 Ca 0.15 -0.16 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 2f76 h THR 69 Cb 0.54 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 2f76 h THR 69 CO 0.03 0.06 -0.04 -0.26 -0.25 0.00 0.00 175.52 175.05 2f76 h PHE 70 N 0.15 0.67 0.00 4.73 -1.00 -1.26 -3.47 116.94 116.75 2f76 h PHE 70 Ca 0.05 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2f76 h PHE 70 Cb 0.03 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.40 2f76 h PHE 70 CO -0.06 0.67 0.00 0.41 -1.61 0.00 0.00 178.31 177.72 2f76 n GLY 71 N -0.69 2.86 3.51 -1.45 0.00 -0.40 -5.09 105.19 103.93 2f76 n GLY 71 Ca 0.02 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 0.19 -0.13 1.61 -0.02 0.01 -4.68 135.00 131.98 2f76 n PRO 72 Ca 0.00 -0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 2f76 n PRO 72 Cb 0.00 -1.86 0.30 0.00 -0.02 0.00 0.00 33.50 31.92 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 8.58 1.84 -0.30 -0.52 0.28 -1.26 -2.63 120.64 126.63 2f76 n GLU 73 Ca 0.61 -1.28 0.26 0.00 -0.16 0.00 0.00 57.16 56.58 2f76 n GLU 73 Cb 0.12 -1.38 0.45 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 0.51 -0.03 -3.90 3.44 4.81 -1.26 -1.60 118.16 120.14 2f76 n LYS 74 Ca 0.15 0.86 -0.30 0.00 -0.87 0.00 0.00 58.31 58.15 2f76 n LYS 74 Cb 0.35 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.61 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 -4.76 2.86 0.57 3.15 -7.23 -1.26 -4.59 120.40 109.14 2f76 s VAL 75 Ca -0.05 -3.63 -0.20 0.00 -1.81 0.00 0.00 61.98 56.28 2f76 s VAL 75 Cb 0.21 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 2f76 s VAL 75 CO 0.55 -0.89 1.11 -2.65 -0.31 0.00 0.00 175.10 172.91 2f76 n PRO 76 N 2.73 1.20 0.17 4.82 -0.02 -0.63 -4.86 135.00 138.41 2f76 n PRO 76 Ca 0.11 0.45 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 2f76 n PRO 76 Cb 0.34 -2.30 0.79 0.00 -0.02 0.00 0.00 33.50 32.31 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2f76 h VAL 77 N 0.89 0.54 0.00 -1.45 3.04 -1.96 -1.23 116.25 116.09 2f76 h VAL 77 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2f76 h VAL 77 Cb 1.34 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2f76 h VAL 77 CO 0.54 0.00 0.36 0.35 -1.01 0.00 0.00 177.57 177.80 2f76 n THR 78 N -3.93 0.65 -0.08 3.17 -2.24 -1.26 -0.65 114.28 109.93 2f76 n THR 78 Ca 0.03 0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 62.33 2f76 n THR 78 Cb 0.37 -1.62 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 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 0.84 0.35 -0.25 6.98 0.00 -1.56 0.04 119.26 125.67 2f76 h ALA 79 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2f76 h ALA 79 Cb 0.71 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2f76 h ALA 79 CO 0.00 -0.08 0.06 0.35 0.00 0.00 0.00 179.25 179.58 2f76 h PHE 80 N 0.30 0.11 -0.75 0.00 3.57 -1.15 0.12 116.94 119.14 2f76 h PHE 80 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2f76 h PHE 80 Cb 0.13 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2f76 h PHE 80 CO -0.02 0.04 0.36 0.66 -2.23 0.00 0.00 178.31 177.12 2f76 h SER 81 N 0.16 0.98 -0.97 0.41 4.64 -1.66 -2.07 113.55 115.04 2f76 h SER 81 Ca 0.11 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2f76 h SER 81 Cb 0.10 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.88 2f76 h SER 81 CO -0.14 0.84 0.64 0.22 -0.87 0.00 0.00 176.83 177.52 2f76 h TYR 82 N 1.05 1.20 -0.33 4.77 3.20 -0.32 -0.51 116.97 126.03 2f76 h TYR 82 Ca 0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2f76 h TYR 82 Cb 0.12 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 2f76 h TYR 82 CO 0.01 0.70 0.16 2.35 -1.64 0.00 0.00 178.16 179.73 2f76 h TRP 83 N 1.24 0.43 -0.76 -3.82 7.01 -0.10 -2.15 115.95 117.80 2f76 h TRP 83 Ca 0.38 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.45 2f76 h TRP 83 Cb -0.02 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 26.84 2f76 h TRP 83 CO -0.01 0.33 0.44 -0.97 -2.79 0.00 0.00 178.44 175.45 2f76 h ASN 84 N 0.45 0.66 -0.76 2.65 -0.73 -0.65 -0.58 115.58 116.62 2f76 h ASN 84 Ca 0.12 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.28 2f76 h ASN 84 Cb 0.05 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 2f76 h ASN 84 CO -0.02 0.41 0.33 -0.07 -0.37 0.00 0.00 177.43 177.71 2f76 h LEU 85 N 0.79 1.04 -0.53 0.34 -0.00 -1.34 -2.62 115.31 112.99 2f76 h LEU 85 Ca 0.35 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 2f76 h LEU 85 Cb 0.23 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 2f76 h LEU 85 CO -0.20 0.91 0.25 0.40 -0.00 0.00 0.00 178.44 179.80 2f76 h ILE 86 N 1.11 1.20 -0.53 1.22 2.04 -1.05 -2.31 117.51 119.19 2f76 h ILE 86 Ca 0.26 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.64 2f76 h ILE 86 Cb 0.18 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2f76 h ILE 86 CO -0.03 0.23 0.10 0.11 0.00 0.00 0.00 178.15 178.56 2f76 h LYS 87 N 0.72 0.23 -0.14 2.37 1.57 -0.84 0.36 116.57 120.83 2f76 h LYS 87 Ca 0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2f76 h LYS 87 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2f76 h LYS 87 CO -0.02 0.15 0.06 0.93 -0.57 0.00 0.00 179.45 180.00 2f76 h GLU 88 N 0.23 0.18 0.06 3.15 5.08 -1.25 0.73 114.58 122.77 2f76 h GLU 88 Ca 0.27 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2f76 h GLU 88 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2f76 h GLU 88 CO -0.36 0.15 -0.03 1.25 -1.00 0.00 0.00 179.01 179.02 2f76 h LEU 89 N 0.19 -0.07 -0.17 1.33 5.85 0.10 -2.75 115.31 119.79 2f76 h LEU 89 Ca 0.05 -0.56 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 2f76 h LEU 89 Cb 0.03 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2f76 h LEU 89 CO -0.01 0.64 -0.25 0.40 -0.34 0.00 0.00 178.44 178.88 2f76 h ILE 90 N -0.89 1.35 0.24 4.05 2.04 -0.47 0.34 117.51 124.17 2f76 h ILE 90 Ca -0.01 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 2f76 h ILE 90 Cb 0.63 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2f76 h ILE 90 CO 0.01 0.44 -0.19 -0.78 0.00 0.00 0.00 178.15 177.63 2f76 h ASP 91 N 0.11 -0.50 -0.44 1.72 1.82 0.32 -2.91 116.42 116.54 2f76 h ASP 91 Ca 0.02 0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.61 2f76 h ASP 91 Cb 0.82 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 2f76 h ASP 91 CO 0.06 -0.30 -0.06 0.11 -1.61 0.00 0.00 179.24 177.45 2f76 h LYS 92 N -0.44 0.82 -4.99 0.28 1.57 -1.56 -3.41 116.57 108.84 2f76 h LYS 92 Ca -0.01 -0.29 -0.66 0.00 -1.87 0.00 0.00 60.65 57.81 2f76 h LYS 92 Cb 0.40 -0.06 -0.30 0.00 0.08 0.00 0.00 32.23 32.35 2f76 h LYS 92 CO -0.02 0.91 -0.75 0.15 -0.57 0.00 0.00 179.45 179.17 2f76 s LYS 93 N -4.89 3.19 0.00 3.15 -0.14 0.11 -4.95 119.74 116.21 2f76 s LYS 93 Ca -0.12 -0.74 0.21 0.00 -1.36 0.00 0.00 55.97 53.96 2f76 s LYS 93 Cb 0.11 -2.92 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 2f76 s LYS 93 CO 0.82 -0.24 1.01 0.39 -0.76 0.00 0.00 175.35 176.57 2f76 n GLU 94 N 4.74 1.34 -5.09 1.68 1.02 -1.22 -3.97 120.64 119.15 2f76 n GLU 94 Ca -0.18 -0.92 -0.30 0.00 -0.02 0.00 0.00 57.16 55.73 2f76 n GLU 94 Cb 0.50 -1.42 -0.17 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.32 1.86 -0.59 2.62 1.01 -1.26 -4.79 120.40 116.94 2f76 s VAL 95 Ca 0.17 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2f76 s VAL 95 Cb 0.16 -1.62 0.15 0.00 0.00 0.00 0.00 36.38 35.07 2f76 s VAL 95 CO 0.53 0.52 0.36 0.21 0.00 0.00 0.00 175.10 176.72 2f76 s ASN 96 N 0.41 4.33 0.52 3.32 3.04 -1.26 -5.10 114.94 120.20 2f76 s ASN 96 Ca -0.18 -3.34 -0.23 0.00 0.04 0.00 0.00 52.86 49.15 2f76 s ASN 96 Cb -0.18 -1.52 -0.06 0.00 -1.54 0.00 0.00 41.25 37.95 2f76 s ASN 96 CO 0.08 -0.17 1.32 -2.65 -3.04 0.00 0.00 177.10 172.64 2f76 n PRO 97 N 2.65 1.74 -3.85 0.43 -0.02 -1.26 -5.03 135.00 129.65 2f76 n PRO 97 Ca 0.13 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 62.14 2f76 n PRO 97 Cb 0.34 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 2f76 n PRO 97 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2f76 s GLN 98 N -2.71 0.68 -0.05 -0.52 -2.07 -1.26 -5.16 119.66 108.57 2f76 s GLN 98 Ca 0.69 -0.62 0.05 0.00 -1.82 0.00 0.00 55.36 53.66 2f76 s GLN 98 Cb -0.44 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 31.76 2f76 s GLN 98 CO 0.51 -0.19 -0.18 0.08 -1.32 0.00 0.00 175.29 174.19 2f76 s VAL 99 N -2.49 1.54 0.00 3.63 1.01 -1.26 -5.36 120.40 117.47 2f76 s VAL 99 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2f76 s VAL 99 Cb -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2f76 s VAL 99 CO -0.04 0.44 0.00 0.23 0.00 0.00 0.00 175.10 175.73