#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 -2.32 3.07 3.03 0.00 -1.26 -5.16 105.19 102.55 2f76 n GLY 2 Ca 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.91 0.59 0.16 1.61 -0.21 -1.26 -5.05 119.66 113.59 2f76 s GLN 3 Ca 0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 55.36 54.58 2f76 s GLN 3 Cb 0.00 -0.44 0.02 0.00 1.00 0.00 0.00 33.01 33.59 2f76 s GLN 3 CO 0.00 0.09 1.54 1.49 -2.12 0.00 0.00 175.29 176.29 2f76 h GLU 4 N 4.71 0.95 -5.07 2.91 4.81 -2.10 -3.41 114.58 117.37 2f76 h GLU 4 Ca -0.36 -0.43 -0.64 0.00 -0.13 0.00 0.00 59.36 57.81 2f76 h GLU 4 Cb 1.20 -0.02 -0.20 0.00 0.63 0.00 0.00 28.75 30.36 2f76 h GLU 4 CO 0.42 1.09 -0.60 -1.17 -0.73 0.00 0.00 179.01 178.03 2f76 s LEU 5 N -8.99 3.61 0.12 1.64 2.96 -1.26 -5.06 118.68 111.71 2f76 s LEU 5 Ca -0.11 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2f76 s LEU 5 Cb 0.12 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2f76 s LEU 5 CO 0.87 0.04 -0.11 -0.55 -1.32 0.00 0.00 176.35 175.28 2f76 s SER 6 N 1.17 1.65 0.36 3.68 0.15 -1.26 -5.04 113.70 114.41 2f76 s SER 6 Ca 0.05 -0.89 0.06 0.00 0.70 0.00 0.00 55.95 55.86 2f76 s SER 6 Cb -0.14 -0.01 0.70 0.00 -1.71 0.00 0.00 66.02 64.86 2f76 s SER 6 CO 0.04 -0.27 1.94 -0.61 1.20 0.00 0.00 173.24 175.53 2f76 h GLN 7 N 3.27 0.51 -0.55 5.44 4.15 -1.99 -2.18 115.11 123.75 2f76 h GLN 7 Ca -0.37 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 58.88 2f76 h GLN 7 Cb 1.19 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2f76 h GLN 7 CO 0.57 0.48 0.01 0.45 -1.93 0.00 0.00 178.83 178.40 2f76 h HIS 8 N 0.50 1.00 -0.54 3.99 3.86 -2.00 -1.89 115.15 120.09 2f76 h HIS 8 Ca 0.12 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 2f76 h HIS 8 Cb 0.20 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2f76 h HIS 8 CO 0.01 0.90 0.15 0.93 0.86 0.00 0.00 177.93 180.78 2f76 h GLU 9 N 0.86 0.85 -0.50 2.45 5.08 -1.82 -2.64 114.58 118.86 2f76 h GLU 9 Ca 0.16 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2f76 h GLU 9 Cb 0.50 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2f76 h GLU 9 CO 0.02 0.79 0.09 0.00 -1.00 0.00 0.00 179.01 178.91 2f76 h ARG 10 N 0.76 0.78 -0.48 2.33 3.08 -1.20 -2.31 114.38 117.33 2f76 h ARG 10 Ca 0.17 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2f76 h ARG 10 Cb 0.30 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2f76 h ARG 10 CO -0.00 0.72 0.31 -0.92 -1.07 0.00 0.00 179.97 179.01 2f76 h TYR 11 N 0.74 0.58 -0.25 3.04 3.20 -1.01 -2.57 116.97 120.71 2f76 h TYR 11 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2f76 h TYR 11 Cb 0.32 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2f76 h TYR 11 CO 0.02 0.35 0.13 0.28 -1.64 0.00 0.00 178.16 177.30 2f76 h VAL 12 N 0.62 1.13 -0.98 1.81 2.07 -1.18 -2.43 116.25 117.30 2f76 h VAL 12 Ca 0.18 -0.37 0.25 0.00 0.82 0.00 0.00 66.70 67.58 2f76 h VAL 12 Cb -0.04 0.92 -0.13 0.00 -1.52 0.00 0.00 31.29 30.52 2f76 h VAL 12 CO -0.06 0.13 0.54 -0.33 0.02 0.00 0.00 177.57 177.88 2f76 h GLU 13 N 0.28 0.49 -0.25 1.57 5.08 -1.05 0.66 114.58 121.35 2f76 h GLU 13 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2f76 h GLU 13 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2f76 h GLU 13 CO -0.01 0.32 0.05 1.96 -1.00 0.00 0.00 179.01 180.33 2f76 h GLN 14 N 0.50 0.41 -0.35 2.33 4.20 -1.07 -2.61 115.11 118.52 2f76 h GLN 14 Ca 0.64 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 59.17 2f76 h GLN 14 Cb 1.25 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2f76 h GLN 14 CO -0.51 0.53 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.03 2f76 h LEU 15 N 0.22 0.56 -0.35 1.46 3.38 -0.41 -1.08 115.31 119.09 2f76 h LEU 15 Ca 0.08 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2f76 h LEU 15 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2f76 h LEU 15 CO 0.00 0.68 0.11 0.50 0.09 0.00 0.00 178.44 179.82 2f76 h LYS 16 N 0.54 0.24 -0.05 1.13 3.64 0.47 0.52 116.57 123.05 2f76 h LYS 16 Ca 0.10 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2f76 h LYS 16 Cb 0.46 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2f76 h LYS 16 CO 0.02 0.16 -0.18 1.96 -2.27 0.00 0.00 179.45 179.14 2f76 h GLN 17 N 0.25 0.21 0.19 1.90 1.08 -1.25 -1.58 115.11 115.91 2f76 h GLN 17 Ca 0.16 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2f76 h GLN 17 Cb 0.15 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2f76 h GLN 17 CO -0.18 0.79 -0.09 0.00 -0.95 0.00 0.00 178.83 178.40 2f76 h ALA 18 N 0.42 -0.25 -0.03 3.87 0.00 -1.04 -2.49 119.26 119.74 2f76 h ALA 18 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2f76 h ALA 18 Cb 0.81 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2f76 h ALA 18 CO 0.04 -0.64 -0.24 -0.07 0.00 0.00 0.00 179.25 178.33 2f76 h LEU 19 N -0.26 0.05 -0.95 0.00 3.38 -0.06 -2.60 115.31 114.88 2f76 h LEU 19 Ca -0.03 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2f76 h LEU 19 Cb 0.20 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2f76 h LEU 19 CO 0.04 0.30 0.60 0.11 0.09 0.00 0.00 178.44 179.59 2f76 h LYS 20 N 0.05 1.05 0.00 1.13 1.57 -0.83 0.22 116.57 119.76 2f76 h LYS 20 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2f76 h LYS 20 Cb 0.46 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2f76 h LYS 20 CO 0.03 0.70 0.00 0.25 -0.57 0.00 0.00 179.45 179.86 2f76 n THR 21 N -4.56 0.73 1.18 -0.16 -2.24 -0.98 -2.40 114.28 105.84 2f76 n THR 21 Ca 0.14 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 2f76 n THR 21 Cb 0.19 -0.94 0.38 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.06 0.51 0.00 -0.78 1.74 0.70 -4.90 116.66 111.87 2f76 n ARG 22 Ca 0.04 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2f76 n ARG 22 Cb 0.28 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.50 3.68 -0.13 0.00 -1.01 -4.93 105.19 105.69 2f76 n GLY 23 Ca 0.10 0.00 -0.35 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 4.85 -0.48 1.61 1.01 -0.81 -4.97 120.40 119.61 2f76 s VAL 24 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2f76 s VAL 24 Cb 0.00 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.36 2f76 s VAL 24 CO 0.00 0.50 0.27 -0.54 0.00 0.00 0.00 175.10 175.33 2f76 s LYS 25 N -0.01 1.51 0.04 2.72 1.02 -1.26 -4.05 119.74 119.72 2f76 s LYS 25 Ca 0.06 -2.25 -0.01 0.00 0.02 0.00 0.00 55.97 53.80 2f76 s LYS 25 Cb -0.12 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2f76 s LYS 25 CO 0.01 -1.17 -0.03 0.14 -0.92 0.00 0.00 175.35 173.38 2f76 s VAL 26 N 0.06 0.20 0.64 3.17 -7.23 -1.26 -5.14 120.40 110.84 2f76 s VAL 26 Ca 0.19 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2f76 s VAL 26 Cb -0.22 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2f76 s VAL 26 CO -0.02 -0.84 1.04 -0.54 -0.31 0.00 0.00 175.10 174.43 2f76 s LYS 27 N -3.13 3.40 0.13 4.82 1.02 -1.26 -4.98 119.74 119.74 2f76 s LYS 27 Ca -0.00 0.79 -0.19 0.00 0.02 0.00 0.00 55.97 56.59 2f76 s LYS 27 Cb 0.02 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 2f76 s LYS 27 CO -0.07 -0.72 1.76 -0.92 -0.92 0.00 0.00 175.35 174.48 2f76 h TYR 28 N -0.43 0.35 -0.72 3.18 3.20 -2.00 -2.59 116.97 117.95 2f76 h TYR 28 Ca -0.44 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 2f76 h TYR 28 Cb 1.20 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 2f76 h TYR 28 CO 0.64 0.25 0.44 0.00 -1.64 0.00 0.00 178.16 177.85 2f76 h ALA 29 N 1.07 1.43 -0.20 1.82 0.00 -1.98 -2.01 119.26 119.39 2f76 h ALA 29 Ca 0.10 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2f76 h ALA 29 Cb -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2f76 h ALA 29 CO -0.02 0.50 -0.10 -0.44 0.00 0.00 0.00 179.25 179.19 2f76 h ASP 30 N 0.98 -0.34 -0.43 0.00 3.32 -1.84 0.21 116.42 118.31 2f76 h ASP 30 Ca 0.26 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 2f76 h ASP 30 Cb -0.06 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2f76 h ASP 30 CO -0.05 -0.13 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.17 2f76 h LEU 31 N -0.08 0.88 -0.64 1.55 3.38 -1.43 -2.27 115.31 116.70 2f76 h LEU 31 Ca 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2f76 h LEU 31 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2f76 h LEU 31 CO -0.25 1.00 0.37 0.25 0.09 0.00 0.00 178.44 179.90 2f76 h LEU 32 N 0.80 0.79 -0.59 1.67 5.85 -0.61 0.79 115.31 124.01 2f76 h LEU 32 Ca 0.13 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2f76 h LEU 32 Cb 0.61 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2f76 h LEU 32 CO 0.04 0.63 0.23 0.11 -0.34 0.00 0.00 178.44 179.12 2f76 h LYS 33 N 0.87 0.89 -0.49 1.25 1.57 -0.42 -1.22 116.57 119.03 2f76 h LYS 33 Ca 0.23 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2f76 h LYS 33 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2f76 h LYS 33 CO -0.04 0.76 0.18 0.35 -0.57 0.00 0.00 179.45 180.13 2f76 h PHE 34 N 0.82 0.76 -0.45 -1.35 3.04 -0.90 0.30 116.94 119.16 2f76 h PHE 34 Ca 0.20 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 2f76 h PHE 34 Cb 0.21 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 2f76 h PHE 34 CO 0.01 0.65 0.26 0.74 -2.02 0.00 0.00 178.31 177.95 2f76 h PHE 35 N 0.65 0.60 0.00 0.41 0.04 -0.61 -1.84 116.94 116.19 2f76 h PHE 35 Ca 0.16 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 2f76 h PHE 35 Cb 0.23 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2f76 h PHE 35 CO 0.01 0.44 -0.29 -0.44 -0.60 0.00 0.00 178.31 177.43 2f76 h ASP 36 N 0.59 0.00 0.24 2.17 3.32 -1.04 -2.82 116.42 118.88 2f76 h ASP 36 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2f76 h ASP 36 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2f76 h ASP 36 CO -0.03 0.29 -0.12 0.15 -1.72 0.00 0.00 179.24 177.82 2f76 h PHE 37 N 0.00 -0.30 -0.56 4.55 3.04 0.44 0.53 116.94 124.65 2f76 h PHE 37 Ca -0.00 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2f76 h PHE 37 Cb 0.84 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 2f76 h PHE 37 CO 0.00 -0.13 -0.10 -0.24 -2.02 0.00 0.00 178.31 175.82 2f76 h VAL 38 N -0.39 1.27 -0.84 1.41 3.04 -1.48 -2.88 116.25 116.37 2f76 h VAL 38 Ca -0.03 -1.26 -0.03 0.00 -1.01 0.00 0.00 66.70 64.36 2f76 h VAL 38 Cb 0.30 0.94 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 2f76 h VAL 38 CO 0.05 0.45 0.41 0.11 -1.01 0.00 0.00 177.57 177.58 2f76 h LYS 39 N 0.93 1.21 -0.15 4.17 1.57 -1.30 4.17 116.57 127.18 2f76 h LYS 39 Ca 0.15 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2f76 h LYS 39 Cb 0.67 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2f76 h LYS 39 CO 0.05 0.93 0.08 -0.44 -0.57 0.00 0.00 179.45 179.50 2f76 h ASP 40 N 1.20 0.18 -0.00 0.86 3.32 -0.75 -2.94 116.42 118.29 2f76 h ASP 40 Ca 0.29 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2f76 h ASP 40 Cb 0.12 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2f76 h ASP 40 CO -0.04 0.20 -0.49 0.35 -1.72 0.00 0.00 179.24 177.54 2f76 n THR 41 N -4.94 0.00 -3.20 0.35 -2.24 -1.10 -4.79 114.28 98.36 2f76 n THR 41 Ca -0.04 -0.24 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 2f76 n THR 41 Cb 0.06 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 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 4.76 0.00 -2.09 0.00 -0.02 -1.12 -2.74 135.00 133.79 2f76 n PRO 43 Ca 0.09 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 2f76 n PRO 43 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 2f76 n PRO 43 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2f76 s TRP 44 N -2.04 3.18 -0.31 6.00 0.51 -1.26 -4.89 118.94 120.14 2f76 s TRP 44 Ca 0.00 0.86 0.15 0.00 -2.12 0.00 0.00 56.10 54.98 2f76 s TRP 44 Cb 0.00 -3.76 0.42 0.00 -0.81 0.00 0.00 33.47 29.32 2f76 s TRP 44 CO 0.00 -2.71 1.43 1.97 -0.51 0.00 0.00 176.95 177.13 2f76 n PHE 45 N 3.90 -1.23 -2.00 -1.98 1.16 -1.26 -4.78 117.46 111.28 2f76 n PHE 45 Ca 0.12 -1.75 -0.37 0.00 -1.87 0.00 0.00 57.45 53.58 2f76 n PHE 45 Cb 0.41 1.11 0.03 0.00 -1.61 0.00 0.00 39.48 39.42 2f76 n PHE 45 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2f76 s PRO 46 N -0.76 3.09 -0.35 3.97 0.04 -1.26 -5.03 135.00 134.70 2f76 s PRO 46 Ca 0.13 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2f76 s PRO 46 Cb 0.40 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 33.04 2f76 s PRO 46 CO -0.11 -1.13 0.30 -0.65 0.04 0.00 0.00 177.00 175.46 2f76 s GLN 47 N -3.17 0.54 -0.23 4.56 -0.21 -1.26 -4.76 119.66 115.13 2f76 s GLN 47 Ca 0.75 -0.88 -0.28 0.00 0.02 0.00 0.00 55.36 54.97 2f76 s GLN 47 Cb -0.32 -0.91 0.15 0.00 1.00 0.00 0.00 33.01 32.93 2f76 s GLN 47 CO 0.36 -1.17 1.15 -2.00 -2.12 0.00 0.00 175.29 171.51 2f76 s GLU 48 N 1.49 0.38 2.54 2.91 2.12 -1.26 -5.08 118.70 121.80 2f76 s GLU 48 Ca 0.16 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2f76 s GLU 48 Cb -0.17 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2f76 s GLU 48 CO -0.08 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 2f76 n GLY 49 N 1.02 -0.58 3.21 -1.50 0.00 -1.26 -4.65 105.19 101.43 2f76 n GLY 49 Ca -0.08 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.99 2.61 -2.24 -1.26 -4.47 114.28 107.94 2f76 n THR 50 Ca 0.00 -0.24 -0.47 0.00 -2.27 0.00 0.00 64.05 61.07 2f76 n THR 50 Cb 0.00 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.74 0.00 0.97 2.28 5.41 -1.26 -4.74 119.36 118.27 2f76 n ILE 51 Ca 0.01 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.88 2f76 n ILE 51 Cb 0.62 -0.39 0.21 0.00 -0.71 0.00 0.00 39.64 39.37 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 5.95 0.55 0.17 4.38 -0.08 -1.26 -3.78 116.55 122.48 2f76 n ASP 52 Ca 0.43 -0.29 0.14 0.00 -1.51 0.00 0.00 54.79 53.56 2f76 n ASP 52 Cb -0.03 0.32 0.50 0.00 2.34 0.00 0.00 41.12 44.25 2f76 n ASP 52 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2f76 h ILE 53 N 0.00 0.00 -0.70 5.18 2.04 -1.86 -3.12 117.51 119.06 2f76 h ILE 53 Ca 0.00 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.51 2f76 h ILE 53 Cb 0.52 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 2f76 h ILE 53 CO 0.00 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.65 2f76 h LYS 54 N 0.00 0.70 -0.35 2.37 1.57 -1.95 -0.08 116.57 118.83 2f76 h LYS 54 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2f76 h LYS 54 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2f76 h LYS 54 CO 0.00 0.46 -0.05 0.00 -0.57 0.00 0.00 179.45 179.29 2f76 h ARG 55 N 0.72 0.56 0.14 3.15 3.08 -1.83 0.36 114.38 120.55 2f76 h ARG 55 Ca 0.31 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2f76 h ARG 55 Cb 0.20 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2f76 h ARG 55 CO -0.19 0.63 -0.07 2.35 -1.07 0.00 0.00 179.97 181.63 2f76 h TRP 56 N 0.53 -0.17 0.00 3.04 7.01 -1.29 -2.73 115.95 122.34 2f76 h TRP 56 Ca 0.11 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.00 2f76 h TRP 56 Cb 0.42 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2f76 h TRP 56 CO 0.02 0.20 -0.47 0.00 -2.79 0.00 0.00 178.44 175.40 2f76 h ARG 57 N -0.57 0.00 -0.36 2.65 -0.00 -1.01 -2.87 114.38 112.22 2f76 h ARG 57 Ca -0.02 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2f76 h ARG 57 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.39 2f76 h ARG 57 CO 0.03 0.47 0.20 -0.09 0.00 0.00 0.00 179.97 180.57 2f76 h ARG 58 N 0.00 0.50 -0.35 0.04 2.43 -0.25 0.74 114.38 117.49 2f76 h ARG 58 Ca -0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2f76 h ARG 58 Cb 0.91 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2f76 h ARG 58 CO 0.06 0.41 0.03 0.28 -1.51 0.00 0.00 179.97 179.24 2f76 h VAL 59 N 0.46 1.25 -0.04 0.20 2.07 -1.43 -1.76 116.25 116.99 2f76 h VAL 59 Ca 0.13 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2f76 h VAL 59 Cb 0.06 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2f76 h VAL 59 CO -0.02 0.30 -0.03 1.23 0.02 0.00 0.00 177.57 179.08 2f76 h GLY 60 N 0.42 0.09 0.36 2.17 0.00 -1.32 -1.59 103.07 103.20 2f76 h GLY 60 Ca 0.10 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.46 2f76 h GLY 60 CO 0.01 0.08 0.35 -1.80 0.00 0.00 0.00 176.54 175.19 2f76 h ASP 61 N -0.33 0.43 0.56 0.19 1.82 0.50 1.27 116.42 120.86 2f76 h ASP 61 Ca 0.01 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2f76 h ASP 61 Cb 0.48 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.51 2f76 h ASP 61 CO 0.01 0.22 -0.27 0.00 -1.61 0.00 0.00 179.24 177.59 2f76 h PHE 63 N -1.16 0.72 -0.61 0.00 0.04 -1.12 -1.52 116.94 113.28 2f76 h PHE 63 Ca -0.08 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.70 2f76 h PHE 63 Cb 0.61 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 2f76 h PHE 63 CO 0.01 0.50 0.41 0.37 -0.60 0.00 0.00 178.31 178.99 2f76 h GLN 64 N 0.75 0.80 -0.82 1.51 4.15 0.16 0.79 115.11 122.44 2f76 h GLN 64 Ca 0.19 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2f76 h GLN 64 Cb 0.01 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 2f76 h GLN 64 CO -0.03 0.53 0.44 -0.44 -1.93 0.00 0.00 178.83 177.39 2f76 h ASP 65 N 0.82 1.04 -0.05 -0.69 3.32 -0.68 0.78 116.42 120.96 2f76 h ASP 65 Ca 0.23 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 2f76 h ASP 65 Cb -0.08 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.22 2f76 h ASP 65 CO -0.05 0.85 -0.56 0.22 -1.72 0.00 0.00 179.24 177.98 2f76 h TYR 66 N 1.15 0.67 -0.48 4.55 5.03 -1.29 -2.76 116.97 123.84 2f76 h TYR 66 Ca 0.29 -0.33 -0.11 0.00 2.58 0.00 0.00 58.73 61.16 2f76 h TYR 66 Cb 0.06 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2f76 h TYR 66 CO 0.01 1.12 -0.13 1.88 -1.32 0.00 0.00 178.16 179.72 2f76 h TYR 67 N 0.03 1.01 -0.50 -3.82 0.05 -0.66 -1.32 116.97 111.76 2f76 h TYR 67 Ca -0.06 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.49 2f76 h TYR 67 Cb 1.24 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 2f76 h TYR 67 CO 0.13 0.97 0.18 -0.91 -1.05 0.00 0.00 178.16 177.48 2f76 h ASN 68 N 0.80 0.70 -0.20 3.88 -0.26 0.52 0.28 115.58 121.30 2f76 h ASN 68 Ca 0.12 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 2f76 h ASN 68 Cb 0.67 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 2f76 h ASN 68 CO 0.05 0.70 0.06 0.74 -1.06 0.00 0.00 177.43 177.92 2f76 h THR 69 N 0.66 1.19 -0.63 2.81 2.02 -1.37 -2.96 112.91 114.64 2f76 h THR 69 Ca 0.16 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 2f76 h THR 69 Cb 0.23 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2f76 h THR 69 CO -0.01 0.19 0.39 -0.26 0.37 0.00 0.00 175.52 176.19 2f76 h PHE 70 N 0.16 0.83 0.00 3.16 -1.00 -1.03 -3.48 116.94 115.58 2f76 h PHE 70 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 2f76 h PHE 70 Cb 0.23 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.52 2f76 h PHE 70 CO 0.00 0.56 0.00 0.41 -1.61 0.00 0.00 178.31 177.67 2f76 n GLY 71 N -1.17 0.59 2.46 -1.45 0.00 0.95 -5.09 105.19 101.48 2f76 n GLY 71 Ca 0.05 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 1.61 -0.01 -1.06 -4.65 135.00 130.81 2f76 n PRO 72 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.60 2f76 n PRO 72 Cb 0.00 -0.95 0.37 0.00 -0.01 0.00 0.00 33.50 32.91 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 2f76 n GLU 73 N 5.32 1.82 -0.13 -0.52 0.28 -1.26 -3.79 120.64 122.36 2f76 n GLU 73 Ca 0.47 -1.23 0.12 0.00 -0.16 0.00 0.00 57.16 56.36 2f76 n GLU 73 Cb 0.05 -1.42 0.22 0.00 1.43 0.00 0.00 31.44 31.71 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 0.46 -0.03 -3.84 3.44 4.81 -1.26 -1.33 118.16 120.40 2f76 n LYS 74 Ca 0.17 0.57 -0.33 0.00 -0.87 0.00 0.00 58.31 57.85 2f76 n LYS 74 Cb 0.37 -1.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.31 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 -4.72 3.15 0.66 3.15 -7.23 -1.26 -4.73 120.40 109.42 2f76 s VAL 75 Ca -0.04 -3.31 -0.18 0.00 -1.81 0.00 0.00 61.98 56.64 2f76 s VAL 75 Cb 0.13 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 2f76 s VAL 75 CO 0.32 -0.87 1.28 -2.65 -0.31 0.00 0.00 175.10 172.87 2f76 n PRO 76 N 3.09 1.06 0.24 4.82 -0.02 -0.45 -4.91 135.00 138.83 2f76 n PRO 76 Ca 0.08 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2f76 n PRO 76 Cb 0.35 -2.52 0.57 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.45 0.99 0.00 -1.45 3.04 -1.96 -2.49 116.25 114.83 2f76 h VAL 77 Ca -0.51 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 2f76 h VAL 77 Cb 1.34 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2f76 h VAL 77 CO 0.52 0.15 0.34 0.35 -1.01 0.00 0.00 177.57 177.92 2f76 n THR 78 N -4.20 0.71 -0.29 3.17 -2.24 -1.26 -0.29 114.28 109.88 2f76 n THR 78 Ca -0.02 0.59 -0.06 0.00 -2.27 0.00 0.00 64.05 62.29 2f76 n THR 78 Cb 0.22 -1.59 0.06 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.86 1.02 -0.46 6.98 0.00 -1.81 -2.82 119.26 123.03 2f76 h ALA 79 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2f76 h ALA 79 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2f76 h ALA 79 CO 0.00 0.63 0.27 0.35 0.00 0.00 0.00 179.25 180.51 2f76 h PHE 80 N 1.14 0.60 0.11 0.00 3.04 -0.92 -0.39 116.94 120.52 2f76 h PHE 80 Ca 0.27 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.23 2f76 h PHE 80 Cb 0.19 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 2f76 h PHE 80 CO 0.02 0.43 -0.20 0.66 -2.02 0.00 0.00 178.31 177.19 2f76 h SER 81 N 0.60 -0.56 -0.50 0.41 4.64 -1.65 0.39 113.55 116.88 2f76 h SER 81 Ca 0.16 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2f76 h SER 81 Cb 0.00 0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 2f76 h SER 81 CO -0.03 -0.28 0.26 1.88 -0.87 0.00 0.00 176.83 177.79 2f76 h TYR 82 N -0.38 0.73 -0.10 4.77 0.05 -1.42 0.23 116.97 120.85 2f76 h TYR 82 Ca 0.03 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2f76 h TYR 82 Cb 0.40 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2f76 h TYR 82 CO -0.20 0.53 -0.08 2.35 -1.05 0.00 0.00 178.16 179.72 2f76 h TRP 83 N 0.74 0.15 -0.95 4.88 7.01 -0.16 -1.31 115.95 126.33 2f76 h TRP 83 Ca 0.19 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.21 2f76 h TRP 83 Cb 0.06 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 2f76 h TRP 83 CO 0.01 0.24 0.62 -0.97 -2.79 0.00 0.00 178.44 175.54 2f76 h ASN 84 N 0.15 1.03 -0.90 2.65 -1.24 0.12 -0.29 115.58 117.10 2f76 h ASN 84 Ca 0.03 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2f76 h ASN 84 Cb 0.24 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 2f76 h ASN 84 CO 0.01 0.71 0.57 -0.07 -1.29 0.00 0.00 177.43 177.36 2f76 h LEU 85 N 1.19 1.07 -0.53 0.34 -0.00 -1.16 -2.25 115.31 113.97 2f76 h LEU 85 Ca 0.38 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 2f76 h LEU 85 Cb 0.01 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.37 2f76 h LEU 85 CO -0.11 0.80 0.24 0.40 -0.00 0.00 0.00 178.44 179.77 2f76 h ILE 86 N 1.24 1.20 -0.46 1.22 2.04 -1.00 -2.52 117.51 119.23 2f76 h ILE 86 Ca 0.33 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.68 2f76 h ILE 86 Cb -0.09 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 2f76 h ILE 86 CO -0.07 0.23 -0.32 0.11 0.00 0.00 0.00 178.15 178.11 2f76 h LYS 87 N 0.71 -0.21 -0.38 2.37 1.57 -0.67 0.45 116.57 120.42 2f76 h LYS 87 Ca 0.18 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2f76 h LYS 87 Cb 0.14 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2f76 h LYS 87 CO -0.02 -0.14 0.25 0.93 -0.57 0.00 0.00 179.45 179.90 2f76 h GLU 88 N -0.21 0.35 0.03 3.15 4.39 -1.35 1.58 114.58 122.52 2f76 h GLU 88 Ca 0.19 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2f76 h GLU 88 Cb 0.54 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2f76 h GLU 88 CO -0.58 0.23 -0.01 1.25 -1.16 0.00 0.00 179.01 178.74 2f76 h LEU 89 N 0.37 -0.03 0.15 1.33 5.85 0.18 -2.39 115.31 120.77 2f76 h LEU 89 Ca 0.16 -0.48 -0.25 0.00 0.84 0.00 0.00 57.88 58.15 2f76 h LEU 89 Cb 0.17 0.01 0.03 0.00 0.37 0.00 0.00 40.66 41.23 2f76 h LEU 89 CO -0.04 0.47 -1.07 0.40 -0.34 0.00 0.00 178.44 177.86 2f76 h ILE 90 N -0.55 1.38 -0.08 4.05 2.04 -0.41 -2.34 117.51 121.61 2f76 h ILE 90 Ca -0.00 -2.50 0.02 0.00 1.00 0.00 0.00 64.86 63.38 2f76 h ILE 90 Cb 0.51 2.97 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 2f76 h ILE 90 CO 0.01 0.74 -0.07 -0.78 0.00 0.00 0.00 178.15 178.05 2f76 h ASP 91 N -0.04 -0.21 -0.44 1.72 1.82 0.22 0.95 116.42 120.43 2f76 h ASP 91 Ca -0.18 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.42 2f76 h ASP 91 Cb 1.81 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.91 2f76 h ASP 91 CO 0.20 -0.09 -0.05 0.11 -1.61 0.00 0.00 179.24 177.80 2f76 h LYS 92 N -0.08 0.82 -0.33 0.28 1.79 -1.55 -2.92 116.57 114.57 2f76 h LYS 92 Ca 0.06 -0.29 -0.07 0.00 -2.18 0.00 0.00 60.65 58.17 2f76 h LYS 92 Cb 0.16 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2f76 h LYS 92 CO -0.13 0.90 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.83 2f76 h LYS 93 N 0.65 0.56 0.00 3.15 3.64 -1.03 -2.68 116.57 120.86 2f76 h LYS 93 Ca 0.12 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2f76 h LYS 93 Cb 0.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2f76 h LYS 93 CO 0.03 0.65 0.86 1.49 -2.27 0.00 0.00 179.45 180.21 2f76 h GLU 94 N 0.52 0.00 0.00 1.90 4.81 0.11 1.63 114.58 123.55 2f76 h GLU 94 Ca 0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2f76 h GLU 94 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2f76 h GLU 94 CO 0.03 0.00 -0.15 -0.39 -0.73 0.00 0.00 179.01 177.76 2f76 h VAL 95 N 0.00 0.72 -5.59 0.32 -1.51 -1.63 -3.48 116.25 105.08 2f76 h VAL 95 Ca 0.00 -0.63 -0.09 0.00 -1.23 0.00 0.00 66.70 64.75 2f76 h VAL 95 Cb 1.72 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 2f76 h VAL 95 CO 0.00 0.15 -0.58 0.59 -1.23 0.00 0.00 177.57 176.50 2f76 n ASN 96 N -3.79 -7.36 -0.05 4.19 4.13 0.56 -4.78 115.26 108.15 2f76 n ASN 96 Ca -0.02 0.26 0.18 0.00 1.68 0.00 0.00 54.58 56.68 2f76 n ASN 96 Cb 0.26 -4.55 0.62 0.00 -1.54 0.00 0.00 39.78 34.56 2f76 n ASN 96 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2f76 h PRO 97 N 1.69 0.15 -0.70 3.52 0.11 -1.92 -0.77 132.00 134.07 2f76 h PRO 97 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2f76 h PRO 97 Cb 1.09 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2f76 h PRO 97 CO 0.23 0.10 0.44 0.37 -0.21 0.00 0.00 178.00 178.93 2f76 h GLN 98 N 0.16 0.94 -5.42 1.05 4.15 -1.97 -3.40 115.11 110.61 2f76 h GLN 98 Ca 0.28 -0.07 -0.64 0.00 0.77 0.00 0.00 58.65 58.99 2f76 h GLN 98 Cb 0.90 -0.20 -0.32 0.00 0.21 0.00 0.00 27.48 28.06 2f76 h GLN 98 CO -0.04 0.64 -0.86 0.08 -1.93 0.00 0.00 178.83 176.72 2f76 s VAL 99 N -5.75 1.82 -2.98 2.39 1.01 -0.30 -5.30 120.40 111.30 2f76 s VAL 99 Ca -0.11 -0.91 0.24 0.00 0.00 0.00 0.00 61.98 61.21 2f76 s VAL 99 Cb 0.17 -1.57 0.21 0.00 0.00 0.00 0.00 36.38 35.19 2f76 s VAL 99 CO 0.78 0.51 1.28 0.23 0.00 0.00 0.00 175.10 177.90