#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j80 s GLU 5 N 0.00 3.21 0.55 -2.82 4.04 -1.26 -5.10 118.70 117.32 2j80 s GLU 5 Ca 0.00 -0.39 -0.21 0.00 0.04 0.00 0.00 54.97 54.41 2j80 s GLU 5 Cb 0.00 -2.96 -0.06 0.00 0.02 0.00 0.00 34.13 31.13 2j80 s GLU 5 CO 0.00 0.68 1.16 -1.91 -1.84 0.00 0.00 175.26 173.35 2j80 n GLU 6 N 1.27 1.33 -0.11 -4.83 0.00 -1.26 -4.73 120.64 112.31 2j80 n GLU 6 Ca -0.14 0.50 -0.05 0.00 0.00 0.00 0.00 57.16 57.47 2j80 n GLU 6 Cb 0.53 -2.35 0.01 0.00 0.00 0.00 0.00 31.44 29.63 2j80 n GLU 6 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2j80 h ARG 7 N 1.07 -0.09 -0.47 5.31 -0.00 -1.99 -0.93 114.38 117.28 2j80 h ARG 7 Ca -0.49 0.01 -0.13 0.00 -0.00 0.00 0.00 59.98 59.37 2j80 h ARG 7 Cb 1.33 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 31.31 2j80 h ARG 7 CO 0.55 -0.06 -0.21 1.25 -0.00 0.00 0.00 179.97 181.50 2j80 h LEU 8 N -0.09 0.97 -0.33 0.08 5.85 -1.99 -0.70 115.31 119.10 2j80 h LEU 8 Ca 0.19 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2j80 h LEU 8 Cb 0.39 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 2j80 h LEU 8 CO -0.45 1.14 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.99 2j80 h HIS 9 N 0.82 -0.14 -0.01 1.25 2.76 -1.83 -0.03 115.15 117.98 2j80 h HIS 9 Ca 0.11 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2j80 h HIS 9 Cb 0.77 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 2j80 h HIS 9 CO 0.05 -0.12 0.00 -0.92 -1.30 0.00 0.00 177.93 175.64 2j80 h TYR 10 N 0.02 0.02 -0.55 5.26 3.20 -0.98 -1.86 116.97 122.08 2j80 h TYR 10 Ca 0.16 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2j80 h TYR 10 Cb 0.24 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2j80 h TYR 10 CO -0.29 0.24 0.24 1.96 -1.64 0.00 0.00 178.16 178.67 2j80 h GLN 11 N -0.21 0.81 -0.34 1.82 1.08 -0.90 -0.38 115.11 116.99 2j80 h GLN 11 Ca 0.00 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2j80 h GLN 11 Cb 0.23 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2j80 h GLN 11 CO 0.00 0.69 -0.12 0.28 -0.95 0.00 0.00 178.83 178.73 2j80 h VAL 12 N 0.75 1.28 -0.74 -0.54 2.07 -1.04 -2.45 116.25 115.57 2j80 h VAL 12 Ca 0.19 -1.20 0.11 0.00 0.82 0.00 0.00 66.70 66.61 2j80 h VAL 12 Cb 0.17 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 2j80 h VAL 12 CO -0.02 0.39 0.36 1.23 0.02 0.00 0.00 177.57 179.56 2j80 h GLY 13 N 0.47 1.13 0.95 2.17 0.00 -1.11 -1.01 103.07 105.68 2j80 h GLY 13 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2j80 h GLY 13 CO 0.04 0.02 0.18 1.46 0.00 0.00 0.00 176.54 178.24 2j80 h GLN 14 N 0.58 0.54 0.00 4.80 1.08 -0.92 0.93 115.11 122.13 2j80 h GLN 14 Ca 0.38 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2j80 h GLN 14 Cb 0.46 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2j80 h GLN 14 CO -0.31 0.48 -0.68 0.07 -0.95 0.00 0.00 178.83 177.45 2j80 h ARG 15 N 0.47 0.00 -0.42 1.46 0.11 -1.11 -1.50 114.38 113.39 2j80 h ARG 15 Ca 0.13 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.18 2j80 h ARG 15 Cb 0.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 2j80 h ARG 15 CO -0.02 0.68 0.14 0.00 0.10 0.00 0.00 179.97 180.87 2j80 h ALA 16 N 1.32 0.55 -0.07 0.08 0.00 -0.97 -1.92 119.26 118.25 2j80 h ALA 16 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2j80 h ALA 16 Cb 1.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2j80 h ALA 16 CO 0.09 0.19 0.00 1.25 0.00 0.00 0.00 179.25 180.78 2j80 h LEU 17 N 0.54 0.13 -0.92 0.00 5.85 -0.63 -1.88 115.31 118.39 2j80 h LEU 17 Ca 0.14 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2j80 h LEU 17 Cb 0.24 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2j80 h LEU 17 CO -0.01 0.40 0.61 0.40 -0.34 0.00 0.00 178.44 179.50 2j80 h ILE 18 N -0.15 1.24 -0.42 4.05 2.04 -1.33 -2.31 117.51 120.63 2j80 h ILE 18 Ca 0.02 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2j80 h ILE 18 Cb 0.33 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2j80 h ILE 18 CO 0.00 0.23 0.25 1.56 0.00 0.00 0.00 178.15 180.19 2j80 h GLN 19 N 1.26 0.58 -1.08 2.37 4.20 -1.26 -0.67 115.11 120.50 2j80 h GLN 19 Ca 0.34 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2j80 h GLN 19 Cb -0.14 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.52 2j80 h GLN 19 CO -0.07 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 2j80 n ALA 20 N -2.25 1.50 0.00 3.87 0.00 -0.72 -0.90 120.51 122.02 2j80 n ALA 20 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2j80 n ALA 20 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2j80 n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2j80 n GLN 22 N 0.68 0.00 -0.25 0.00 6.02 -0.26 -1.59 117.38 121.98 2j80 n GLN 22 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 2j80 n GLN 22 Cb 0.07 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.38 2j80 n GLN 22 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2j80 h ILE 23 N 0.00 1.21 0.00 5.09 2.04 -1.25 -2.23 117.51 122.37 2j80 h ILE 23 Ca 0.00 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2j80 h ILE 23 Cb 0.00 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2j80 h ILE 23 CO 0.00 0.22 -0.02 0.77 0.00 0.00 0.00 178.15 179.12 2j80 h SER 24 N 0.95 0.00 -3.07 1.72 4.64 -1.51 -3.46 113.55 112.82 2j80 h SER 24 Ca 0.25 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.90 2j80 h SER 24 Cb -0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 2j80 h SER 24 CO -0.04 0.02 0.20 0.00 -0.87 0.00 0.00 176.83 176.14 2j80 s ALA 25 N -4.14 3.33 -0.10 5.18 0.00 -0.84 -4.54 121.76 120.64 2j80 s ALA 25 Ca -0.03 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.14 2j80 s ALA 25 Cb 0.13 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2j80 s ALA 25 CO 0.49 -2.25 -0.05 -2.30 0.00 0.00 0.00 175.76 171.64 2j80 n PRO 27 N 6.60 1.08 -0.18 0.00 -0.02 -1.26 -4.95 135.00 136.26 2j80 n PRO 27 Ca -0.06 0.04 -0.07 0.00 -2.02 0.00 0.00 63.50 61.39 2j80 n PRO 27 Cb 0.45 -1.22 0.02 0.00 -0.02 0.00 0.00 33.50 32.73 2j80 n PRO 27 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2j80 h GLU 28 N 0.00 0.69 -0.15 -0.52 3.07 -2.00 -1.76 114.58 113.91 2j80 h GLU 28 Ca -0.25 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.39 2j80 h GLU 28 Cb 1.44 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 29.20 2j80 h GLU 28 CO -0.02 0.45 -0.63 1.25 -1.40 0.00 0.00 179.01 178.67 2j80 h LEU 29 N 0.71 0.82 -0.56 1.33 5.85 -1.95 -1.74 115.31 119.77 2j80 h LEU 29 Ca 0.19 -0.62 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2j80 h LEU 29 Cb -0.08 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.63 2j80 h LEU 29 CO -0.04 1.30 0.10 0.58 -0.34 0.00 0.00 178.44 180.03 2j80 h VAL 30 N 0.39 0.65 -0.41 1.05 2.07 -1.81 -1.28 116.25 116.90 2j80 h VAL 30 Ca -0.03 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2j80 h VAL 30 Cb 1.26 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2j80 h VAL 30 CO 0.13 0.04 -0.09 -0.08 0.02 0.00 0.00 177.57 177.59 2j80 h GLU 31 N 0.22 0.80 -0.58 1.57 4.81 -1.25 -1.52 114.58 118.63 2j80 h GLU 31 Ca 0.29 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2j80 h GLU 31 Cb 0.42 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2j80 h GLU 31 CO -0.39 0.92 0.16 0.00 -0.73 0.00 0.00 179.01 178.97 2j80 h ALA 32 N 0.85 1.19 -0.21 2.92 0.00 -0.98 -1.53 119.26 121.51 2j80 h ALA 32 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2j80 h ALA 32 Cb 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2j80 h ALA 32 CO 0.04 0.56 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 2j80 h VAL 33 N 0.85 1.29 -0.80 0.00 2.07 -1.16 -0.88 116.25 117.63 2j80 h VAL 33 Ca 0.19 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 66.76 2j80 h VAL 33 Cb 0.28 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 2j80 h VAL 33 CO -0.00 0.33 0.39 1.56 0.02 0.00 0.00 177.57 179.87 2j80 h GLN 34 N 0.14 0.58 -0.00 1.57 4.20 -0.93 -0.98 115.11 119.68 2j80 h GLN 34 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2j80 h GLN 34 Cb 0.53 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2j80 h GLN 34 CO 0.02 0.38 -0.06 1.63 -0.67 0.00 0.00 178.83 180.14 2j80 n LYS 35 N -4.89 0.90 -4.06 1.46 5.02 -0.60 -4.95 118.16 111.04 2j80 n LYS 35 Ca 0.15 -0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 55.86 2j80 n LYS 35 Cb 0.38 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2j80 n LYS 35 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j80 n ARG 36 N -0.81 -3.50 -3.07 1.97 1.74 -0.37 -4.92 116.66 107.70 2j80 n ARG 36 Ca 0.17 0.41 -0.45 0.00 -0.77 0.00 0.00 57.85 57.22 2j80 n ARG 36 Cb 0.25 -4.86 -0.03 0.00 -1.02 0.00 0.00 32.46 26.79 2j80 n ARG 36 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2j80 s ASP 37 N -3.82 6.44 0.19 0.55 -1.08 -0.44 -4.91 116.67 113.61 2j80 s ASP 37 Ca 0.37 -1.85 -0.09 0.00 -0.52 0.00 0.00 52.55 50.47 2j80 s ASP 37 Cb -0.20 -2.32 0.10 0.00 -1.46 0.00 0.00 42.92 39.04 2j80 s ASP 37 CO 0.90 -1.02 1.70 -0.07 0.52 0.00 0.00 175.17 177.20 2j80 h LEU 38 N 9.79 1.08 -0.88 -1.34 3.38 -1.90 -1.43 115.31 124.01 2j80 h LEU 38 Ca -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2j80 h LEU 38 Cb 1.06 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2j80 h LEU 38 CO 1.04 1.05 0.50 0.00 0.09 0.00 0.00 178.44 181.12 2j80 h ALA 39 N 1.06 1.13 -0.36 1.53 0.00 -1.94 -0.88 119.26 119.80 2j80 h ALA 39 Ca 0.21 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2j80 h ALA 39 Cb 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2j80 h ALA 39 CO 0.01 0.62 -0.27 -0.09 0.00 0.00 0.00 179.25 179.52 2j80 h ARG 40 N 1.22 0.81 -0.45 0.00 1.12 -1.82 -0.84 114.38 114.43 2j80 h ARG 40 Ca 0.31 -0.40 0.06 0.00 -1.11 0.00 0.00 59.98 58.84 2j80 h ARG 40 Cb 0.00 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 29.91 2j80 h ARG 40 CO -0.05 1.03 0.14 0.82 -3.11 0.00 0.00 179.97 178.80 2j80 h ILE 41 N 0.60 0.83 -0.39 1.20 2.04 -1.09 -2.08 117.51 118.61 2j80 h ILE 41 Ca 0.07 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2j80 h ILE 41 Cb 0.85 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2j80 h ILE 41 CO 0.07 0.05 0.25 0.50 0.00 0.00 0.00 178.15 179.03 2j80 h LYS 42 N 0.30 0.50 -0.18 2.37 3.64 -0.92 -0.20 116.57 122.08 2j80 h LYS 42 Ca 0.21 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2j80 h LYS 42 Cb 0.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2j80 h LYS 42 CO -0.24 0.33 0.14 0.00 -2.27 0.00 0.00 179.45 177.41 2j80 h ALA 43 N 1.15 2.09 0.11 5.00 0.00 -0.73 -1.15 119.26 125.74 2j80 h ALA 43 Ca 0.15 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 2j80 h ALA 43 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2j80 h ALA 43 CO -0.04 -0.23 -1.46 -0.07 0.00 0.00 0.00 179.25 177.45 2j80 h LEU 44 N 0.00 0.35 0.10 0.00 3.38 -0.85 -3.40 115.31 114.89 2j80 h LEU 44 Ca 0.09 -0.84 -0.28 0.00 0.09 0.00 0.00 57.88 56.94 2j80 h LEU 44 Cb 0.36 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2j80 h LEU 44 CO -0.00 1.63 -1.23 0.40 0.09 0.00 0.00 178.44 179.33 2j80 h ILE 45 N -0.32 1.43 -0.36 1.22 1.08 -0.87 -3.33 117.51 116.36 2j80 h ILE 45 Ca -0.32 -2.86 0.07 0.00 -0.39 0.00 0.00 64.86 61.36 2j80 h ILE 45 Cb 1.75 2.86 -0.09 0.00 -3.07 0.00 0.00 36.82 38.27 2j80 h ILE 45 CO 0.04 0.84 -0.36 0.44 -0.69 0.00 0.00 178.15 178.43 2j80 h ASP 46 N 0.13 -1.18 0.00 1.72 3.32 -1.44 -0.88 116.42 118.08 2j80 h ASP 46 Ca -0.15 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2j80 h ASP 46 Cb 1.94 0.53 0.00 0.00 0.22 0.00 0.00 39.33 42.02 2j80 h ASP 46 CO 0.21 -0.35 0.00 -2.65 -1.72 0.00 0.00 179.24 174.74 2j80 n PRO 47 N -5.42 0.00 0.00 3.56 -0.02 -1.25 -1.58 135.00 130.29 2j80 n PRO 47 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2j80 n PRO 47 Cb 0.34 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2j80 n PRO 47 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2j80 n ARG 49 N 1.53 0.00 0.26 -0.52 1.74 -0.34 -1.95 116.66 117.39 2j80 n ARG 49 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2j80 n ARG 49 Cb 0.00 0.00 0.72 0.00 -1.02 0.00 0.00 32.46 32.16 2j80 n ARG 49 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2j80 h SER 50 N 0.00 0.00 -0.60 0.55 4.64 -1.55 -2.41 113.55 114.19 2j80 h SER 50 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j80 h SER 50 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2j80 h SER 50 CO 0.00 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 176.55 2j80 n PHE 51 N -3.92 1.08 -4.19 4.77 3.72 -0.82 -4.94 117.46 113.15 2j80 n PHE 51 Ca -0.02 -0.47 -0.16 0.00 -0.05 0.00 0.00 57.45 56.74 2j80 n PHE 51 Cb 0.19 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 2j80 n PHE 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2j80 s SER 52 N -0.91 1.66 0.00 4.37 0.15 -0.91 -5.03 113.70 113.03 2j80 s SER 52 Ca 0.43 -0.76 0.21 0.00 0.70 0.00 0.00 55.95 56.53 2j80 s SER 52 Cb 0.25 -0.03 0.75 0.00 -1.71 0.00 0.00 66.02 65.29 2j80 s SER 52 CO 0.25 -0.18 1.55 -0.90 1.20 0.00 0.00 173.24 175.16 2j80 n ASP 53 N 0.73 1.66 -4.65 5.45 5.75 -1.26 -4.96 116.55 119.27 2j80 n ASP 53 Ca -0.17 -1.70 -0.39 0.00 -0.01 0.00 0.00 54.79 52.52 2j80 n ASP 53 Cb 0.57 -0.10 0.04 0.00 -1.03 0.00 0.00 41.12 40.59 2j80 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j80 n ALA 54 N 0.32 0.60 -0.03 2.12 0.00 -1.26 -4.93 120.51 117.32 2j80 n ALA 54 Ca 0.16 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.52 2j80 n ALA 54 Cb 0.33 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 2j80 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2j80 h THR 55 N 0.98 1.27 -3.67 0.00 2.02 -0.89 -3.47 112.91 109.16 2j80 h THR 55 Ca -0.48 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 64.66 2j80 h THR 55 Cb 1.34 1.96 -0.14 0.00 -1.74 0.00 0.00 68.15 69.56 2j80 h THR 55 CO 0.54 0.62 -0.31 -0.72 0.37 0.00 0.00 175.52 176.02 2j80 s TYR 56 N -3.78 0.06 -0.07 3.16 -0.85 -0.94 -5.03 117.35 109.91 2j80 s TYR 56 Ca -0.10 -0.43 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 2j80 s TYR 56 Cb 0.09 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.46 2j80 s TYR 56 CO 0.91 -0.55 -0.06 0.42 -1.52 0.00 0.00 175.55 174.74 2j80 s ILE 57 N -3.60 0.75 -0.08 -3.49 1.01 -1.26 -1.64 121.20 112.89 2j80 s ILE 57 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2j80 s ILE 57 Cb 0.03 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 2j80 s ILE 57 CO -0.10 0.29 -0.07 -0.89 0.00 0.00 0.00 174.94 174.18 2j80 s THR 58 N 1.15 3.71 -0.13 2.92 2.01 -0.16 -4.33 115.64 120.81 2j80 s THR 58 Ca -0.07 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2j80 s THR 58 Cb -0.14 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 2j80 s THR 58 CO -0.01 0.58 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 2j80 s VAL 59 N -0.62 2.67 0.20 3.82 1.01 -0.92 -1.41 120.40 125.16 2j80 s VAL 59 Ca 0.09 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.39 2j80 s VAL 59 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2j80 s VAL 59 CO 0.02 0.53 -0.17 -0.83 0.00 0.00 0.00 175.10 174.65 2j80 s GLY 60 N 0.45 1.74 0.33 4.51 0.00 -0.50 -0.29 107.32 113.56 2j80 s GLY 60 Ca -0.12 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 42.93 2j80 s GLY 60 CO 0.05 -1.65 0.44 2.09 0.00 0.00 0.00 173.10 174.04 2j80 n ASP 61 N 0.01 -0.03 0.32 1.64 5.68 0.16 -1.43 116.55 122.90 2j80 n ASP 61 Ca -0.11 -1.14 0.20 0.00 -0.50 0.00 0.00 54.79 53.25 2j80 n ASP 61 Cb 0.56 -0.34 1.11 0.00 -1.14 0.00 0.00 41.12 41.31 2j80 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j80 h ALA 62 N -1.94 1.15 -0.25 2.12 0.00 -1.83 -1.03 119.26 117.48 2j80 h ALA 62 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2j80 h ALA 62 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2j80 h ALA 62 CO 0.10 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 2j80 n SER 63 N -3.30 3.13 0.00 0.00 3.41 -1.26 -4.89 113.62 110.71 2j80 n SER 63 Ca -0.03 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 2j80 n SER 63 Cb 0.09 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2j80 n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j80 n GLY 64 N 1.29 0.45 3.74 5.00 0.00 -0.39 -5.04 105.19 110.24 2j80 n GLY 64 Ca 0.16 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2j80 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2j80 s GLN 65 N -1.11 4.67 0.01 1.61 0.74 -1.26 -4.55 119.66 119.77 2j80 s GLN 65 Ca 0.00 1.58 -0.30 0.00 0.05 0.00 0.00 55.36 56.69 2j80 s GLN 65 Cb 0.00 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 2j80 s GLN 65 CO 0.00 0.19 1.24 1.03 -0.55 0.00 0.00 175.29 177.20 2j80 s ARG 66 N -0.36 4.37 0.01 1.67 0.52 -0.42 -0.66 118.95 124.07 2j80 s ARG 66 Ca 0.47 1.77 0.21 0.00 -0.52 0.00 0.00 55.73 57.66 2j80 s ARG 66 Cb -0.27 -3.47 -0.22 0.00 0.52 0.00 0.00 34.95 31.52 2j80 s ARG 66 CO 0.33 -0.39 0.60 1.28 0.02 0.00 0.00 175.30 177.13 2j80 n LEU 67 N 4.68 0.33 -3.69 2.53 4.77 0.60 -1.03 117.00 125.20 2j80 n LEU 67 Ca 0.11 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2j80 n LEU 67 Cb 0.46 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2j80 n LEU 67 CO 0.56 0.06 0.19 -0.47 -1.33 0.00 0.00 177.39 176.40 2j80 s TYR 68 N -3.23 -0.62 0.05 -1.77 5.04 -0.93 -4.90 117.35 110.99 2j80 s TYR 68 Ca -0.06 1.44 -0.14 0.00 -2.44 0.00 0.00 57.07 55.88 2j80 s TYR 68 Cb 0.11 0.24 0.02 0.00 0.35 0.00 0.00 41.96 42.68 2j80 s TYR 68 CO 0.85 -0.31 0.31 -1.58 -1.34 0.00 0.00 175.55 173.49 2j80 s HIS 69 N 0.55 -0.10 0.53 4.97 5.65 -1.26 -2.16 115.29 123.47 2j80 s HIS 69 Ca -0.02 -0.05 0.19 0.00 0.25 0.00 0.00 55.06 55.42 2j80 s HIS 69 Cb -0.04 0.10 1.37 0.00 -1.18 0.00 0.00 32.58 32.83 2j80 s HIS 69 CO -0.03 -0.52 2.17 -0.39 -0.65 0.00 0.00 174.74 175.32 2j80 h VAL 70 N 3.15 0.91 -3.60 0.89 -1.51 -1.98 -3.37 116.25 110.76 2j80 h VAL 70 Ca -0.32 0.00 -0.70 0.00 -1.23 0.00 0.00 66.70 64.45 2j80 h VAL 70 Cb 1.20 1.00 -0.25 0.00 -2.13 0.00 0.00 31.29 31.12 2j80 h VAL 70 CO 0.46 0.00 -0.52 0.20 -1.23 0.00 0.00 177.57 176.48 2j80 s ASN 71 N -6.90 5.69 0.55 4.19 0.02 -1.26 -4.98 114.94 112.24 2j80 s ASN 71 Ca -0.05 -0.97 0.24 0.00 -1.02 0.00 0.00 52.86 51.06 2j80 s ASN 71 Cb 0.17 -2.01 1.45 0.00 0.02 0.00 0.00 41.25 40.88 2j80 s ASN 71 CO 0.65 -0.37 2.09 1.55 0.02 0.00 0.00 177.10 181.04 2j80 h PRO 72 N 8.41 0.00 0.00 -0.60 0.13 -2.00 0.13 132.00 138.08 2j80 h PRO 72 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2j80 h PRO 72 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2j80 h PRO 72 CO 0.66 0.00 0.09 -0.44 -0.23 0.00 0.00 178.00 178.08 2j80 h ASP 73 N 0.00 0.00 0.34 1.44 3.32 -1.94 -2.24 116.42 117.34 2j80 h ASP 73 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2j80 h ASP 73 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2j80 h ASP 73 CO -0.00 0.00 -0.54 -0.62 -1.72 0.00 0.00 179.24 176.35 2j80 n GLU 74 N -2.58 0.21 -2.26 3.56 -0.58 0.03 -4.89 120.64 114.14 2j80 n GLU 74 Ca -0.02 -0.14 -0.41 0.00 -0.42 0.00 0.00 57.16 56.17 2j80 n GLU 74 Cb 0.14 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 2j80 n GLU 74 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2j80 s ILE 75 N -2.88 3.38 0.00 -3.67 1.01 -0.85 -2.68 121.20 115.52 2j80 s ILE 75 Ca 0.13 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.88 2j80 s ILE 75 Cb 0.18 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2j80 s ILE 75 CO 0.69 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.39 2j80 n GLY 76 N 2.61 0.98 3.89 6.18 0.00 -0.19 -4.99 105.19 113.67 2j80 n GLY 76 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2j80 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j80 s LYS 77 N -0.64 2.98 0.00 1.61 1.02 -1.09 -4.79 119.74 118.83 2j80 s LYS 77 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.91 2j80 s LYS 77 Cb 0.00 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2j80 s LYS 77 CO 0.00 0.23 0.00 0.43 -0.92 0.00 0.00 175.35 175.09 2j80 n SER 78 N -1.38 0.00 -3.63 2.83 7.64 -1.26 -1.30 113.62 116.51 2j80 n SER 78 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 2j80 n SER 78 Cb 0.58 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 2j80 n SER 78 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2j80 s GLU 80 N 0.00 0.81 0.00 1.43 2.02 -1.26 -4.87 118.70 116.82 2j80 s GLU 80 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.05 2j80 s GLU 80 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.57 2j80 s GLU 80 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 2j80 n GLY 81 N 3.11 1.52 2.13 -1.39 0.00 -1.25 -4.36 105.19 104.96 2j80 n GLY 81 Ca -0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 2j80 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j80 n GLY 82 N 0.00 0.65 1.04 -0.02 0.00 -1.26 -4.83 105.19 100.77 2j80 n GLY 82 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 2j80 n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2j80 n ASP 83 N 1.07 2.68 -0.00 1.61 5.75 -1.26 -4.72 116.55 121.67 2j80 n ASP 83 Ca -0.03 -3.86 0.08 0.00 -0.01 0.00 0.00 54.79 50.96 2j80 n ASP 83 Cb 0.13 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.63 2j80 n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2j80 n SER 84 N -1.01 0.94 -0.15 -1.12 7.64 -1.26 -4.67 113.62 114.00 2j80 n SER 84 Ca 0.27 -0.53 0.02 0.00 1.01 0.00 0.00 58.87 59.64 2j80 n SER 84 Cb 0.79 1.29 0.31 0.00 -1.01 0.00 0.00 64.21 65.60 2j80 n SER 84 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2j80 h ASP 85 N 0.00 0.72 0.05 6.43 3.32 -1.98 0.52 116.42 125.47 2j80 h ASP 85 Ca 0.00 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2j80 h ASP 85 Cb 0.52 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2j80 h ASP 85 CO 0.00 0.51 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.45 2j80 h GLU 86 N 0.84 0.34 0.03 3.56 4.39 -1.93 0.11 114.58 121.92 2j80 h GLU 86 Ca 0.24 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2j80 h GLU 86 Cb -0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2j80 h GLU 86 CO -0.06 0.58 -0.01 0.00 -1.16 0.00 0.00 179.01 178.36 2j80 h ALA 87 N 1.43 -0.04 -0.48 3.43 0.00 -1.56 -1.65 119.26 120.39 2j80 h ALA 87 Ca 0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2j80 h ALA 87 Cb 0.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2j80 h ALA 87 CO 0.04 -0.09 0.10 -0.07 0.00 0.00 0.00 179.25 179.24 2j80 h LEU 88 N -0.90 0.69 0.00 0.00 3.38 -0.76 -2.48 115.31 115.24 2j80 h LEU 88 Ca -0.00 -0.12 -0.43 0.00 0.09 0.00 0.00 57.88 57.42 2j80 h LEU 88 Cb 0.73 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2j80 h LEU 88 CO 0.01 0.70 -2.43 -0.38 0.09 0.00 0.00 178.44 176.42 2j80 n ILE 89 N -4.28 1.41 1.25 1.22 2.08 0.36 -4.67 119.36 116.71 2j80 n ILE 89 Ca 0.03 -0.37 0.13 0.00 0.56 0.00 0.00 62.75 63.10 2j80 n ILE 89 Cb 0.23 -1.81 0.31 0.00 -0.75 0.00 0.00 39.64 37.62 2j80 n ILE 89 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2j80 n ASN 90 N -4.07 2.04 -2.13 4.38 3.02 -0.98 -4.97 115.26 112.57 2j80 n ASN 90 Ca -0.50 -1.62 -0.20 0.00 -0.03 0.00 0.00 54.58 52.23 2j80 n ASN 90 Cb 0.87 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.07 2j80 n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j80 n ALA 91 N 0.50 -0.53 -2.21 5.41 0.00 -0.77 -4.95 120.51 117.96 2j80 n ALA 91 Ca 0.16 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 2j80 n ALA 91 Cb 0.45 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 2j80 n ALA 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2j80 s LYS 92 N -4.73 3.78 -0.04 0.00 -0.14 -0.69 -4.79 119.74 113.13 2j80 s LYS 92 Ca 0.00 0.44 0.04 0.00 -1.36 0.00 0.00 55.97 55.08 2j80 s LYS 92 Cb 0.00 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 2j80 s LYS 92 CO 0.00 0.00 -0.13 -1.12 -0.76 0.00 0.00 175.35 173.34 2j80 s SER 93 N -3.10 4.10 0.04 2.83 0.01 -1.26 -3.83 113.70 112.50 2j80 s SER 93 Ca 0.51 -0.20 -0.28 0.00 1.31 0.00 0.00 55.95 57.29 2j80 s SER 93 Cb -0.10 -0.87 0.09 0.00 0.21 0.00 0.00 66.02 65.35 2j80 s SER 93 CO 0.30 0.34 0.94 -0.72 0.41 0.00 0.00 173.24 174.51 2j80 s TYR 94 N -0.77 -0.25 -0.06 2.43 -0.85 -0.77 -5.01 117.35 112.07 2j80 s TYR 94 Ca 0.12 0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.68 2j80 s TYR 94 Cb -0.11 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 2j80 s TYR 94 CO 0.01 -0.62 0.16 0.08 -1.52 0.00 0.00 175.55 173.66 2j80 s VAL 95 N -3.12 5.42 0.04 -3.49 1.01 -1.26 -1.25 120.40 117.75 2j80 s VAL 95 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2j80 s VAL 95 Cb -0.01 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2j80 s VAL 95 CO -0.05 0.46 0.13 -0.55 0.00 0.00 0.00 175.10 175.09 2j80 s SER 96 N -1.51 0.15 -0.10 3.32 0.15 -0.17 -5.00 113.70 110.53 2j80 s SER 96 Ca 0.21 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.35 2j80 s SER 96 Cb -0.12 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2j80 s SER 96 CO 0.12 -0.55 -0.12 -0.69 1.20 0.00 0.00 173.24 173.20 2j80 s VAL 97 N -2.81 1.25 0.21 4.45 1.01 -1.26 -0.79 120.40 122.47 2j80 s VAL 97 Ca -0.03 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2j80 s VAL 97 Cb 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.23 2j80 s VAL 97 CO -0.05 0.40 0.58 -0.13 0.00 0.00 0.00 175.10 175.89 2j80 s ARG 98 N 1.19 1.47 -0.40 2.72 1.81 -0.93 -5.01 118.95 119.81 2j80 s ARG 98 Ca -0.04 -0.85 -0.20 0.00 -1.72 0.00 0.00 55.73 52.92 2j80 s ARG 98 Cb -0.14 0.55 0.01 0.00 -0.45 0.00 0.00 34.95 34.92 2j80 s ARG 98 CO -0.03 -0.64 0.63 0.21 -0.68 0.00 0.00 175.30 174.78 2j80 s LYS 99 N -3.87 3.46 0.00 3.54 2.36 -1.26 -1.21 119.74 122.75 2j80 s LYS 99 Ca 0.09 -0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.32 2j80 s LYS 99 Cb -0.02 -3.88 0.00 0.00 -1.05 0.00 0.00 37.83 32.87 2j80 s LYS 99 CO -0.01 -0.88 0.00 0.41 1.55 0.00 0.00 175.35 176.42 2j80 n GLY 100 N 4.88 1.50 0.26 5.54 0.00 -0.99 -3.95 105.19 112.43 2j80 n GLY 100 Ca -0.02 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.10 2j80 n GLY 100 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2j80 h SER 101 N 0.00 0.00 -0.04 1.61 4.64 -1.98 -2.62 113.55 115.16 2j80 h SER 101 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j80 h SER 101 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2j80 h SER 101 CO 0.00 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 2j80 n LEU 102 N -3.71 1.40 0.00 5.97 4.77 -1.26 -5.07 117.00 119.10 2j80 n LEU 102 Ca -0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2j80 n LEU 102 Cb 0.23 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2j80 n LEU 102 CO 0.30 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2j80 n GLY 103 N 1.15 -2.76 3.76 -0.72 0.00 -0.99 -5.00 105.19 100.63 2j80 n GLY 103 Ca 0.19 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2j80 n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2j80 s SER 104 N -0.62 6.36 0.08 1.61 0.01 -1.26 -2.34 113.70 117.54 2j80 s SER 104 Ca 0.00 2.99 -0.14 0.00 1.31 0.00 0.00 55.95 60.11 2j80 s SER 104 Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 2j80 s SER 104 CO 0.00 -0.89 0.32 -0.94 0.41 0.00 0.00 173.24 172.14 2j80 s SER 105 N 0.22 -0.13 -0.27 2.44 1.04 -0.35 -1.70 113.70 114.95 2j80 s SER 105 Ca 0.59 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.60 2j80 s SER 105 Cb -0.47 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2j80 s SER 105 CO 0.54 -0.72 0.19 -0.22 0.98 0.00 0.00 173.24 174.01 2j80 s LEU 106 N -2.46 4.04 0.02 2.42 2.96 -0.57 -2.18 118.68 122.92 2j80 s LEU 106 Ca -0.00 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2j80 s LEU 106 Cb 0.01 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2j80 s LEU 106 CO -0.08 -0.02 -0.09 0.00 -1.32 0.00 0.00 176.35 174.85 2j80 s ARG 107 N 1.59 0.62 -0.14 1.98 3.03 0.03 -0.95 118.95 125.11 2j80 s ARG 107 Ca 0.07 -0.49 -0.07 0.00 2.03 0.00 0.00 55.73 57.27 2j80 s ARG 107 Cb -0.15 -0.55 -0.04 0.00 -1.03 0.00 0.00 34.95 33.17 2j80 s ARG 107 CO 0.09 0.14 0.12 0.20 -1.13 0.00 0.00 175.30 174.72 2j80 s GLY 108 N -0.75 2.07 0.08 3.88 0.00 -0.18 -1.00 107.32 111.42 2j80 s GLY 108 Ca -0.01 -0.68 0.07 0.00 0.00 0.00 0.00 44.72 44.10 2j80 s GLY 108 CO 0.00 -0.22 -0.18 0.54 0.00 0.00 0.00 173.10 173.24 2j80 s LYS 109 N -0.51 1.02 -0.15 2.90 1.02 -0.38 -1.22 119.74 122.42 2j80 s LYS 109 Ca 0.12 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 2j80 s LYS 109 Cb -0.12 -1.16 0.05 0.00 -0.52 0.00 0.00 37.83 36.08 2j80 s LYS 109 CO 0.02 0.27 0.49 0.45 -0.92 0.00 0.00 175.35 175.66 2j80 s SER 110 N -1.71 -0.49 0.65 2.83 0.15 -0.57 -1.85 113.70 112.72 2j80 s SER 110 Ca 0.03 0.85 -0.14 0.00 0.70 0.00 0.00 55.95 57.39 2j80 s SER 110 Cb -0.10 0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 2j80 s SER 110 CO 0.03 -0.26 1.08 -2.16 1.20 0.00 0.00 173.24 173.13 2j80 s PRO 111 N -0.11 2.99 -0.19 5.44 0.04 -1.26 -0.99 135.00 140.92 2j80 s PRO 111 Ca -0.03 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 2j80 s PRO 111 Cb -0.03 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2j80 s PRO 111 CO 0.02 -1.08 0.11 0.42 0.04 0.00 0.00 177.00 176.51 2j80 s ILE 112 N -2.54 5.20 0.06 0.56 1.01 -0.16 -4.77 121.20 120.56 2j80 s ILE 112 Ca 0.64 0.11 0.06 0.00 0.00 0.00 0.00 60.65 61.46 2j80 s ILE 112 Cb -0.17 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 2j80 s ILE 112 CO 0.43 0.45 -0.16 -1.10 0.00 0.00 0.00 174.94 174.56 2j80 s GLN 113 N 0.36 0.94 0.67 2.79 -0.21 -1.26 -0.72 119.66 122.23 2j80 s GLN 113 Ca 0.06 -0.92 -0.09 0.00 0.02 0.00 0.00 55.36 54.43 2j80 s GLN 113 Cb -0.11 -1.00 0.15 0.00 1.00 0.00 0.00 33.01 33.04 2j80 s GLN 113 CO -0.01 0.24 0.91 -0.40 -2.12 0.00 0.00 175.29 173.91 2j80 n ASP 114 N 1.49 0.29 0.25 5.90 5.68 -0.37 -4.90 116.55 124.89 2j80 n ASP 114 Ca -0.20 -1.47 0.17 0.00 -0.50 0.00 0.00 54.79 52.80 2j80 n ASP 114 Cb 0.54 -0.68 0.77 0.00 -1.14 0.00 0.00 41.12 40.62 2j80 n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j80 h ALA 115 N -1.54 1.00 -0.00 2.12 0.00 -2.02 -1.24 119.26 117.58 2j80 h ALA 115 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2j80 h ALA 115 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2j80 h ALA 115 CO 0.23 0.00 -0.13 0.25 0.00 0.00 0.00 179.25 179.60 2j80 n THR 116 N -2.79 0.00 0.00 0.00 -2.24 -1.26 -4.93 114.28 103.06 2j80 n THR 116 Ca -0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2j80 n THR 116 Cb 0.19 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2j80 n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j80 n GLY 117 N 1.43 0.63 3.73 3.38 0.00 -0.47 -5.07 105.19 108.83 2j80 n GLY 117 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2j80 n GLY 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j80 n LYS 118 N -2.00 2.77 -2.34 1.61 4.81 -1.26 -4.71 118.16 117.04 2j80 n LYS 118 Ca 0.00 0.99 -0.42 0.00 -0.87 0.00 0.00 58.31 58.01 2j80 n LYS 118 Cb 0.00 -2.82 -0.03 0.00 0.02 0.00 0.00 35.03 32.20 2j80 n LYS 118 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2j80 s VAL 119 N 0.72 3.96 -0.48 3.15 1.01 -1.26 -1.24 120.40 126.26 2j80 s VAL 119 Ca 0.71 1.33 0.04 0.00 0.00 0.00 0.00 61.98 64.06 2j80 s VAL 119 Cb -0.50 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.06 2j80 s VAL 119 CO 0.38 0.01 0.62 2.30 0.00 0.00 0.00 175.10 178.42 2j80 n ILE 120 N 4.54 0.00 -3.30 2.22 -5.35 0.11 -4.84 119.36 112.74 2j80 n ILE 120 Ca 0.12 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2j80 n ILE 120 Cb 0.45 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 2j80 n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2j80 n GLY 121 N 0.21 -0.62 3.43 3.28 0.00 -1.11 -2.61 105.19 107.77 2j80 n GLY 121 Ca 0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 2j80 n GLY 121 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2j80 s ILE 122 N -3.00 0.00 -0.09 -0.61 2.07 -0.52 -0.99 121.20 118.06 2j80 s ILE 122 Ca 0.00 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 2j80 s ILE 122 Cb 0.00 -0.74 -0.02 0.00 0.13 0.00 0.00 42.46 41.82 2j80 s ILE 122 CO 0.00 -0.01 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.22 2j80 s VAL 123 N 0.21 3.27 -0.11 4.00 1.01 -0.16 -1.40 120.40 127.22 2j80 s VAL 123 Ca -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2j80 s VAL 123 Cb -0.04 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2j80 s VAL 123 CO 0.01 0.56 -0.11 -0.55 0.00 0.00 0.00 175.10 175.01 2j80 s SER 124 N -0.29 2.25 -0.21 3.32 0.15 -0.50 -1.50 113.70 116.92 2j80 s SER 124 Ca 0.03 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2j80 s SER 124 Cb -0.13 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 2j80 s SER 124 CO 0.03 -0.06 -0.14 -0.69 1.20 0.00 0.00 173.24 173.58 2j80 s VAL 125 N 1.36 2.37 0.17 4.45 1.01 -0.36 -0.99 120.40 128.41 2j80 s VAL 125 Ca -0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2j80 s VAL 125 Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2j80 s VAL 125 CO -0.06 0.37 -0.00 -0.83 0.00 0.00 0.00 175.10 174.59 2j80 s GLY 126 N 1.29 1.20 -0.17 4.51 0.00 -0.65 -1.02 107.32 112.48 2j80 s GLY 126 Ca 0.02 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.14 2j80 s GLY 126 CO -0.09 -1.53 0.01 -0.19 0.00 0.00 0.00 173.10 171.30 2j80 s TYR 127 N -3.64 1.15 0.36 1.90 2.02 -0.13 -0.12 117.35 118.89 2j80 s TYR 127 Ca 0.23 -0.83 -0.28 0.00 -0.37 0.00 0.00 57.07 55.82 2j80 s TYR 127 Cb 0.06 -1.06 -0.10 0.00 -0.40 0.00 0.00 41.96 40.45 2j80 s TYR 127 CO 0.04 -0.58 1.35 0.95 -1.57 0.00 0.00 175.55 175.74 2j80 s THR 128 N 1.82 2.53 0.27 -0.71 -4.23 -1.26 -1.51 115.64 112.54 2j80 s THR 128 Ca -0.00 0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2j80 s THR 128 Cb -0.16 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.63 2j80 s THR 128 CO -0.07 0.11 1.88 0.40 -0.54 0.00 0.00 174.62 176.39 2j80 h ILE 129 N 2.85 1.08 -0.96 2.99 1.08 -1.68 -1.81 117.51 121.05 2j80 h ILE 129 Ca -0.50 -0.40 0.18 0.00 -0.39 0.00 0.00 64.86 63.76 2j80 h ILE 129 Cb 1.24 -0.18 -0.09 0.00 -3.07 0.00 0.00 36.82 34.72 2j80 h ILE 129 CO 0.64 0.21 0.61 -0.33 -0.69 0.00 0.00 178.15 178.59 2j80 h GLU 130 N 1.16 0.63 -0.00 2.37 3.07 -1.91 -1.97 114.58 117.93 2j80 h GLU 130 Ca 0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2j80 h GLU 130 Cb 0.19 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2j80 h GLU 130 CO -0.18 0.42 -0.18 1.04 -1.40 0.00 0.00 179.01 178.71 2j80 n GLN 131 N -4.64 0.44 0.00 2.33 3.00 -0.69 -5.27 117.38 112.55 2j80 n GLN 131 Ca 0.21 -0.17 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 2j80 n GLN 131 Cb 0.59 -1.50 0.62 0.00 0.00 0.00 0.00 30.24 29.95 2j80 n GLN 131 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34