#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dd4 s THR 2 N 0.00 4.89 0.16 2.03 2.01 -1.26 -4.90 115.64 118.56 1dd4 s THR 2 Ca 0.00 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 1dd4 s THR 2 Cb 0.00 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.74 1dd4 s THR 2 CO 0.00 -0.73 1.69 0.40 -0.69 0.00 0.00 174.62 175.29 1dd4 h ILE 3 N 0.52 0.68 -0.80 1.82 2.04 -2.05 0.11 117.51 119.84 1dd4 h ILE 3 Ca -0.47 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.45 1dd4 h ILE 3 Cb 1.20 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1dd4 h ILE 3 CO 0.62 0.01 0.47 0.44 0.00 0.00 0.00 178.15 179.69 1dd4 h ASP 4 N 0.04 0.71 0.63 1.72 3.32 -1.99 -0.60 116.42 120.25 1dd4 h ASP 4 Ca 0.17 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1dd4 h ASP 4 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1dd4 h ASP 4 CO -0.33 0.44 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.79 1dd4 h GLU 5 N 0.84 0.00 -0.13 3.56 5.08 -1.65 0.91 114.58 123.19 1dd4 h GLU 5 Ca 0.36 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.59 1dd4 h GLU 5 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1dd4 h GLU 5 CO -0.20 0.51 -0.48 0.82 -1.00 0.00 0.00 179.01 178.67 1dd4 h ILE 6 N 0.00 1.33 0.02 3.13 2.04 0.40 -0.39 117.51 124.04 1dd4 h ILE 6 Ca -0.01 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 1dd4 h ILE 6 Cb 0.97 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1dd4 h ILE 6 CO 0.07 0.51 -0.01 0.40 0.00 0.00 0.00 178.15 179.12 1dd4 h ILE 7 N 0.27 1.34 -0.50 -0.67 2.04 -0.62 0.81 117.51 120.17 1dd4 h ILE 7 Ca 0.02 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1dd4 h ILE 7 Cb 0.94 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 1dd4 h ILE 7 CO 0.08 0.29 0.26 -0.33 0.00 0.00 0.00 178.15 178.45 1dd4 h GLU 8 N -0.53 0.49 0.07 2.37 5.08 -0.77 0.32 114.58 121.62 1dd4 h GLU 8 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1dd4 h GLU 8 Cb 0.50 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dd4 h GLU 8 CO 0.01 0.33 -0.04 0.00 -1.00 0.00 0.00 179.01 178.30 1dd4 h ALA 9 N 1.27 -0.10 -0.73 3.43 0.00 -1.04 -1.75 119.26 120.33 1dd4 h ALA 9 Ca 0.22 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1dd4 h ALA 9 Cb 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1dd4 h ALA 9 CO -0.15 -0.56 0.42 0.82 0.00 0.00 0.00 179.25 179.79 1dd4 h ILE 10 N -0.10 0.97 0.00 0.00 2.04 -0.33 0.08 117.51 120.18 1dd4 h ILE 10 Ca -0.01 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1dd4 h ILE 10 Cb 0.09 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1dd4 h ILE 10 CO 0.01 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.68 1dd4 n GLU 11 N -4.74 0.02 0.00 2.37 1.02 0.11 -1.08 120.64 118.34 1dd4 n GLU 11 Ca 0.10 0.27 0.11 0.00 -0.02 0.00 0.00 57.16 57.61 1dd4 n GLU 11 Cb 0.19 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1dd4 n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dd4 n LYS 12 N -1.48 1.44 -2.10 3.49 5.02 -0.02 -4.97 118.16 119.54 1dd4 n LYS 12 Ca 0.03 -1.12 -0.35 0.00 -2.02 0.00 0.00 58.31 54.86 1dd4 n LYS 12 Cb 0.15 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1dd4 n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dd4 s LEU 13 N -2.32 3.64 0.55 -0.35 1.43 -0.24 -5.02 118.68 116.37 1dd4 s LEU 13 Ca 0.19 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.28 1dd4 s LEU 13 Cb 0.18 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 1dd4 s LEU 13 CO 0.50 -1.37 1.01 -0.89 0.23 0.00 0.00 176.35 175.84 1dd4 s THR 14 N -1.91 4.30 0.24 5.49 2.01 -1.26 -4.83 115.64 119.67 1dd4 s THR 14 Ca 0.72 1.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.72 1dd4 s THR 14 Cb -0.23 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 68.87 1dd4 s THR 14 CO 0.31 -0.67 1.84 0.58 -0.69 0.00 0.00 174.62 176.00 1dd4 h VAL 15 N 0.63 1.02 -0.49 3.82 2.07 -1.91 0.17 116.25 121.56 1dd4 h VAL 15 Ca -0.47 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1dd4 h VAL 15 Cb 1.20 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1dd4 h VAL 15 CO 0.60 0.17 0.17 0.28 0.02 0.00 0.00 177.57 178.81 1dd4 h SER 16 N 0.93 0.69 -0.78 0.57 0.02 -1.96 -1.27 113.55 111.76 1dd4 h SER 16 Ca 0.37 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dd4 h SER 16 Cb 0.20 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1dd4 h SER 16 CO -0.18 0.70 0.47 -0.33 -1.14 0.00 0.00 176.83 176.34 1dd4 h GLU 17 N 0.65 1.05 0.05 3.45 5.08 -1.65 -0.95 114.58 122.26 1dd4 h GLU 17 Ca 0.16 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1dd4 h GLU 17 Cb 0.24 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1dd4 h GLU 17 CO -0.01 0.74 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.65 1dd4 h LEU 18 N 1.06 -0.05 -0.55 1.33 3.38 -0.42 0.52 115.31 120.58 1dd4 h LEU 18 Ca 0.28 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1dd4 h LEU 18 Cb -0.04 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1dd4 h LEU 18 CO -0.05 0.01 0.14 0.00 0.09 0.00 0.00 178.44 178.63 1dd4 h ALA 19 N 0.84 0.65 -0.02 1.53 0.00 -0.93 -0.82 119.26 120.52 1dd4 h ALA 19 Ca -0.01 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1dd4 h ALA 19 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dd4 h ALA 19 CO 0.01 -0.28 -0.50 1.49 0.00 0.00 0.00 179.25 179.97 1dd4 h GLU 20 N 0.29 0.05 -0.04 0.00 4.57 -0.86 -0.63 114.58 117.96 1dd4 h GLU 20 Ca 0.28 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1dd4 h GLU 20 Cb 0.38 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1dd4 h GLU 20 CO -0.34 0.55 0.00 1.25 -1.18 0.00 0.00 179.01 179.29 1dd4 h LEU 21 N 0.04 0.07 -0.53 1.64 6.46 0.09 0.74 115.31 123.82 1dd4 h LEU 21 Ca -0.00 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 1dd4 h LEU 21 Cb 0.91 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 1dd4 h LEU 21 CO 0.07 0.34 0.13 0.58 -0.62 0.00 0.00 178.44 178.94 1dd4 h VAL 22 N -0.21 1.24 -0.31 1.05 2.07 -1.10 -0.82 116.25 118.18 1dd4 h VAL 22 Ca 0.01 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1dd4 h VAL 22 Cb 0.30 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1dd4 h VAL 22 CO 0.00 0.32 0.15 0.50 0.02 0.00 0.00 177.57 178.56 1dd4 h LYS 23 N 0.75 0.31 -0.69 1.57 3.64 -1.00 -0.24 116.57 120.91 1dd4 h LYS 23 Ca 0.17 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1dd4 h LYS 23 Cb 0.34 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1dd4 h LYS 23 CO 0.00 0.21 0.46 0.87 -2.27 0.00 0.00 179.45 178.71 1dd4 h LYS 24 N 0.32 0.79 -0.15 1.90 1.57 -0.49 -0.27 116.57 120.24 1dd4 h LYS 24 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1dd4 h LYS 24 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1dd4 h LYS 24 CO -0.09 0.53 0.04 -0.07 -0.57 0.00 0.00 179.45 179.29 1dd4 h LEU 25 N 0.82 0.23 -1.81 2.94 3.38 -0.01 0.35 115.31 121.20 1dd4 h LEU 25 Ca 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1dd4 h LEU 25 Cb 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dd4 h LEU 25 CO -0.08 0.39 0.01 -0.33 0.09 0.00 0.00 178.44 178.52 1dd4 h GLU 26 N 0.06 0.12 -0.03 1.13 5.08 -0.54 0.59 114.58 120.99 1dd4 h GLU 26 Ca 0.05 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1dd4 h GLU 26 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1dd4 h GLU 26 CO -0.00 0.13 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.53 1dd4 h ASP 27 N 0.13 0.21 0.26 1.42 3.32 -0.41 -2.10 116.42 119.25 1dd4 h ASP 27 Ca 0.03 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 1dd4 h ASP 27 Cb 0.07 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1dd4 h ASP 27 CO -0.00 0.84 -0.13 0.50 -1.72 0.00 0.00 179.24 178.73 1dd4 h LYS 28 N -0.40 -0.34 0.00 3.56 3.64 0.30 -3.36 116.57 119.96 1dd4 h LYS 28 Ca -0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1dd4 h LYS 28 Cb 0.83 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1dd4 h LYS 28 CO 0.04 0.01 -0.84 1.19 -2.27 0.00 0.00 179.45 177.58 1dd4 n PHE 29 N -5.07 0.20 0.00 1.91 3.72 0.20 -5.08 117.46 113.35 1dd4 n PHE 29 Ca -0.09 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1dd4 n PHE 29 Cb 0.26 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1dd4 n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dd4 n GLY 30 N 1.41 1.98 0.27 1.37 0.00 -0.79 -4.33 105.19 105.10 1dd4 n GLY 30 Ca 0.03 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 1dd4 n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dd4 h VAL 31 N 0.00 1.23 0.64 1.61 2.07 -1.89 -1.68 116.25 118.23 1dd4 h VAL 31 Ca 0.00 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1dd4 h VAL 31 Cb 0.00 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1dd4 h VAL 31 CO 0.00 0.34 -0.31 0.74 0.02 0.00 0.00 177.57 178.36 1dd4 h THR 32 N 0.59 0.20 -0.16 2.57 2.02 -1.94 -0.21 112.91 115.98 1dd4 h THR 32 Ca 0.11 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1dd4 h THR 32 Cb 0.47 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1dd4 h THR 32 CO 0.02 0.03 -0.06 0.00 0.37 0.00 0.00 175.52 175.88 1dd4 h ALA 33 N -0.94 1.62 0.00 6.16 0.00 -1.75 -2.72 119.26 121.63 1dd4 h ALA 33 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dd4 h ALA 33 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dd4 h ALA 33 CO 0.14 0.28 -0.42 0.00 0.00 0.00 0.00 179.25 179.25 1dd4 n ALA 34 N -2.50 2.75 -0.33 0.00 0.00 -0.63 -4.19 120.51 115.61 1dd4 n ALA 34 Ca -0.01 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.35 1dd4 n ALA 34 Cb 0.21 -1.26 0.31 0.00 0.00 0.00 0.00 19.45 18.71 1dd4 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dd4 h ALA 35 N 2.55 1.67 -0.46 0.00 0.00 -0.69 -1.77 119.26 120.56 1dd4 h ALA 35 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1dd4 h ALA 35 Cb 0.72 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1dd4 h ALA 35 CO 0.00 0.05 -0.12 -1.35 0.00 0.00 0.00 179.25 177.82 1dd4 h PRO 36 N 0.83 -0.01 -0.08 0.00 0.11 -1.76 0.63 132.00 131.72 1dd4 h PRO 36 Ca 0.51 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.48 1dd4 h PRO 36 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1dd4 h PRO 36 CO -0.28 -0.01 -0.55 0.28 -0.21 0.00 0.00 178.00 177.24 1dd4 h VAL 37 N -0.01 1.37 0.18 3.15 2.07 -1.69 -2.00 116.25 119.32 1dd4 h VAL 37 Ca 0.22 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1dd4 h VAL 37 Cb 0.35 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1dd4 h VAL 37 CO -0.48 0.55 -0.13 0.00 0.02 0.00 0.00 177.57 177.53 1dd4 h ALA 38 N 1.24 -0.30 -0.07 1.67 0.00 -0.24 0.10 119.26 121.66 1dd4 h ALA 38 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1dd4 h ALA 38 Cb 1.03 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1dd4 h ALA 38 CO 0.09 -0.68 -0.46 -0.39 0.00 0.00 0.00 179.25 177.80 1dd4 h VAL 39 N -0.32 1.33 -0.01 0.00 -1.51 -0.92 -2.42 116.25 112.41 1dd4 h VAL 39 Ca -0.01 -1.64 -0.16 0.00 -1.23 0.00 0.00 66.70 63.66 1dd4 h VAL 39 Cb 0.28 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 1dd4 h VAL 39 CO -0.00 0.48 -0.72 0.00 -1.23 0.00 0.00 177.57 176.09 1dd4 h ALA 40 N 1.40 0.76 0.00 5.19 0.00 -1.05 -3.27 119.26 122.29 1dd4 h ALA 40 Ca 0.01 -0.64 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 1dd4 h ALA 40 Cb 0.87 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1dd4 h ALA 40 CO 0.07 0.86 -0.99 0.00 0.00 0.00 0.00 179.25 179.18 1dd4 h ALA 41 N 1.20 0.53 -0.48 0.00 0.00 -0.71 -3.38 119.26 116.41 1dd4 h ALA 41 Ca -0.02 -0.85 0.10 0.00 0.00 0.00 0.00 54.91 54.14 1dd4 h ALA 41 Cb 1.28 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1dd4 h ALA 41 CO 0.10 1.09 -0.16 0.00 0.00 0.00 0.00 179.25 180.28 1dd4 h ALA 42 N 1.18 0.25 -0.03 0.00 0.00 -1.48 0.21 119.26 119.40 1dd4 h ALA 42 Ca -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dd4 h ALA 42 Cb 1.68 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1dd4 h ALA 42 CO 0.10 -0.48 -0.04 -1.35 0.00 0.00 0.00 179.25 177.47 1dd4 h PRO 43 N -0.05 0.03 -0.33 0.00 0.11 -1.74 0.27 132.00 130.30 1dd4 h PRO 43 Ca 0.23 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 1dd4 h PRO 43 Cb 0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1dd4 h PRO 43 CO -0.52 0.08 -0.35 0.28 -0.21 0.00 0.00 178.00 177.28 1dd4 h VAL 44 N 0.03 1.29 -0.15 3.15 2.07 -0.90 -0.67 116.25 121.06 1dd4 h VAL 44 Ca 0.01 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1dd4 h VAL 44 Cb 0.09 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1dd4 h VAL 44 CO 0.01 0.50 -0.03 0.00 0.02 0.00 0.00 177.57 178.07 1dd4 h ALA 45 N 0.73 0.21 -0.53 1.67 0.00 0.23 -2.39 119.26 119.19 1dd4 h ALA 45 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1dd4 h ALA 45 Cb 0.94 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1dd4 h ALA 45 CO 0.09 -0.05 0.29 0.78 0.00 0.00 0.00 179.25 180.36 1dd4 h GLY 46 N 0.00 0.75 0.32 0.00 0.00 -0.51 0.28 103.07 103.92 1dd4 h GLY 46 Ca 0.04 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1dd4 h GLY 46 CO 0.01 0.15 -0.21 0.00 0.00 0.00 0.00 176.54 176.50 1dd4 h ALA 47 N 1.26 -0.15 -0.51 3.60 0.00 -1.03 0.18 119.26 122.61 1dd4 h ALA 47 Ca 0.23 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1dd4 h ALA 47 Cb 0.09 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1dd4 h ALA 47 CO -0.13 -0.66 0.33 0.00 0.00 0.00 0.00 179.25 178.79 1dd4 h ALA 48 N 0.75 0.64 -0.59 0.00 0.00 -0.89 0.15 119.26 119.33 1dd4 h ALA 48 Ca 0.11 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1dd4 h ALA 48 Cb 0.41 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1dd4 h ALA 48 CO -0.30 0.07 0.23 0.00 0.00 0.00 0.00 179.25 179.25 1dd4 h ALA 49 N 1.19 0.76 0.00 0.00 0.00 0.04 0.20 119.26 121.44 1dd4 h ALA 49 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1dd4 h ALA 49 Cb -0.07 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dd4 h ALA 49 CO -0.05 -0.18 -0.09 0.78 0.00 0.00 0.00 179.25 179.71 1dd4 h GLY 50 N 0.42 0.00 1.43 0.00 0.00 0.29 -2.25 103.07 102.95 1dd4 h GLY 50 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.34 1dd4 h GLY 50 CO -0.28 0.00 -1.24 0.00 0.00 0.00 0.00 176.54 175.02 1dd4 h ALA 51 N 1.91 0.06 -0.67 3.60 0.00 0.12 -2.77 119.26 121.51 1dd4 h ALA 51 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 54.91 54.10 1dd4 h ALA 51 Cb 0.34 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1dd4 h ALA 51 CO 0.01 0.81 0.44 0.00 0.00 0.00 0.00 179.25 180.51 1dd4 h ALA 52 N 0.44 0.85 0.02 0.00 0.00 -0.37 -0.46 119.26 119.75 1dd4 h ALA 52 Ca -0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dd4 h ALA 52 Cb 1.93 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1dd4 h ALA 52 CO 0.22 0.28 -0.01 0.37 0.00 0.00 0.00 179.25 180.11 1dd4 h GLN 53 N 0.91 -0.03 -1.18 0.00 5.75 -1.58 -1.46 115.11 117.53 1dd4 h GLN 53 Ca 0.25 0.00 0.34 0.00 -0.15 0.00 0.00 58.65 59.08 1dd4 h GLN 53 Cb -0.10 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.36 1dd4 h GLN 53 CO -0.05 0.20 0.79 1.49 -2.65 0.00 0.00 178.83 178.60 1dd4 h GLU 54 N -0.25 0.20 0.00 1.69 4.57 -1.14 -3.34 114.58 116.31 1dd4 h GLU 54 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1dd4 h GLU 54 Cb 0.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1dd4 h GLU 54 CO 0.00 0.13 0.00 0.39 -1.18 0.00 0.00 179.01 178.36 1dd4 n GLU 55 N -4.50 0.00 0.00 1.92 -0.58 -0.22 -5.05 120.64 112.21 1dd4 n GLU 55 Ca 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1dd4 n GLU 55 Cb 1.14 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 32.01 1dd4 n GLU 55 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1dd4 n LYS 56 N 0.00 0.00 0.20 3.49 2.85 -0.59 -4.94 118.16 119.17 1dd4 n LYS 56 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1dd4 n LYS 56 Cb 0.00 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 34.54 1dd4 n LYS 56 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1dd4 h THR 57 N 0.00 0.27 -3.21 0.58 2.02 -1.75 -3.46 112.91 107.36 1dd4 h THR 57 Ca 0.00 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.77 1dd4 h THR 57 Cb 0.00 2.09 -0.16 0.00 -1.74 0.00 0.00 68.15 68.35 1dd4 h THR 57 CO 0.00 0.15 -0.15 -1.61 0.37 0.00 0.00 175.52 174.28 1dd4 s GLU 58 N -3.17 0.91 0.15 6.66 2.02 -1.19 -4.74 118.70 119.34 1dd4 s GLU 58 Ca 0.06 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1dd4 s GLU 58 Cb 0.06 0.40 -0.04 0.00 0.10 0.00 0.00 34.13 34.65 1dd4 s GLU 58 CO 0.69 -0.32 -0.06 -0.06 0.02 0.00 0.00 175.26 175.53 1dd4 s PHE 59 N -2.81 1.20 0.39 1.61 0.40 0.51 -4.13 117.98 115.14 1dd4 s PHE 59 Ca -0.03 -0.87 0.08 0.00 -0.60 0.00 0.00 56.93 55.51 1dd4 s PHE 59 Cb -0.00 -0.65 -0.07 0.00 0.51 0.00 0.00 43.02 42.80 1dd4 s PHE 59 CO -0.05 -0.04 -0.02 0.16 0.70 0.00 0.00 175.22 175.96 1dd4 s ASP 60 N -3.16 3.81 -0.31 1.36 3.84 -1.26 -1.75 116.67 119.20 1dd4 s ASP 60 Ca 0.18 -1.31 0.02 0.00 -0.00 0.00 0.00 52.55 51.44 1dd4 s ASP 60 Cb 0.04 -0.38 0.08 0.00 -1.38 0.00 0.00 42.92 41.28 1dd4 s ASP 60 CO 0.01 -0.37 0.00 -0.69 -0.00 0.00 0.00 175.17 174.12 1dd4 s VAL 61 N -2.69 2.45 -0.20 2.11 1.01 0.78 -2.94 120.40 120.92 1dd4 s VAL 61 Ca 0.34 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1dd4 s VAL 61 Cb 0.08 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1dd4 s VAL 61 CO 0.17 -0.35 0.16 -0.69 0.00 0.00 0.00 175.10 174.40 1dd4 s VAL 62 N 1.04 5.38 0.01 2.92 1.01 -0.41 -0.15 120.40 130.20 1dd4 s VAL 62 Ca 0.02 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1dd4 s VAL 62 Cb -0.20 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1dd4 s VAL 62 CO -0.06 0.41 1.14 -0.22 0.00 0.00 0.00 175.10 176.37 1dd4 s LEU 63 N 0.51 4.34 -0.01 3.92 2.96 0.09 -1.43 118.68 129.07 1dd4 s LEU 63 Ca 0.09 1.85 0.14 0.00 -0.22 0.00 0.00 54.13 55.99 1dd4 s LEU 63 Cb -0.12 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.82 1dd4 s LEU 63 CO 0.00 -0.45 0.44 1.17 -1.32 0.00 0.00 176.35 176.20 1dd4 n LYS 64 N 4.32 1.57 0.00 1.98 3.00 0.30 -1.56 118.16 127.77 1dd4 n LYS 64 Ca 0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1dd4 n LYS 64 Cb 0.48 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.28 1dd4 n LYS 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1dd4 n SER 65 N -1.63 0.00 0.06 3.14 2.88 -1.17 -2.81 113.62 114.09 1dd4 n SER 65 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1dd4 n SER 65 Cb 0.28 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.66 1dd4 n SER 65 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1dd4 h PHE 66 N 0.00 0.00 -0.93 0.66 -5.15 -1.87 0.36 116.94 110.01 1dd4 h PHE 66 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1dd4 h PHE 66 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1dd4 h PHE 66 CO 0.00 0.78 0.00 0.41 -2.00 0.00 0.00 178.31 177.50 1dd4 n GLY 67 N 1.36 0.04 0.31 6.09 0.00 -1.26 -3.64 105.19 108.09 1dd4 n GLY 67 Ca -0.04 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1dd4 n GLY 67 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1dd4 h GLN 68 N 0.00 0.36 -4.52 1.61 4.20 -1.96 -3.29 115.11 111.51 1dd4 h GLN 68 Ca 0.00 -0.02 -0.73 0.00 0.06 0.00 0.00 58.65 57.96 1dd4 h GLN 68 Cb 0.00 -0.08 -0.21 0.00 0.30 0.00 0.00 27.48 27.49 1dd4 h GLN 68 CO 0.00 0.24 0.30 1.21 -0.67 0.00 0.00 178.83 179.92 1dd4 s ASN 69 N -5.18 6.48 -0.19 1.46 3.04 -1.24 -4.80 114.94 114.50 1dd4 s ASN 69 Ca -0.12 -1.98 0.10 0.00 0.04 0.00 0.00 52.86 50.90 1dd4 s ASN 69 Cb 0.25 -2.30 -0.19 0.00 -1.54 0.00 0.00 41.25 37.47 1dd4 s ASN 69 CO 0.78 -0.94 -0.05 1.17 -3.04 0.00 0.00 177.10 175.02 1dd4 n LYS 70 N 5.69 0.91 0.09 0.43 4.81 -1.24 -3.63 118.16 125.22 1dd4 n LYS 70 Ca 0.06 0.05 0.02 0.00 -0.87 0.00 0.00 58.31 57.57 1dd4 n LYS 70 Cb 0.46 -1.45 0.36 0.00 0.02 0.00 0.00 35.03 34.42 1dd4 n LYS 70 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1dd4 h ILE 71 N 0.00 1.19 0.15 3.15 2.04 -1.93 -1.90 117.51 120.21 1dd4 h ILE 71 Ca -0.48 -0.81 -0.26 0.00 1.00 0.00 0.00 64.86 64.30 1dd4 h ILE 71 Cb 1.95 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1dd4 h ILE 71 CO -0.02 0.26 -1.26 -0.61 0.00 0.00 0.00 178.15 176.52 1dd4 h GLN 72 N 0.28 0.32 -0.95 2.37 5.75 -1.88 -1.95 115.11 119.04 1dd4 h GLN 72 Ca 0.06 -0.54 0.22 0.00 -0.15 0.00 0.00 58.65 58.23 1dd4 h GLN 72 Cb 0.38 0.20 -0.12 0.00 1.07 0.00 0.00 27.48 29.02 1dd4 h GLN 72 CO 0.02 1.26 0.52 0.28 -2.65 0.00 0.00 178.83 178.26 1dd4 h VAL 73 N -0.23 0.56 0.34 2.39 2.07 -1.59 0.21 116.25 120.00 1dd4 h VAL 73 Ca -0.25 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1dd4 h VAL 73 Cb 1.81 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1dd4 h VAL 73 CO 0.13 0.10 -0.16 0.40 0.02 0.00 0.00 177.57 178.06 1dd4 h ILE 74 N 0.56 0.62 -0.95 4.57 2.04 -1.38 -1.65 117.51 121.31 1dd4 h ILE 74 Ca 0.59 -0.60 0.28 0.00 1.00 0.00 0.00 64.86 66.14 1dd4 h ILE 74 Cb 1.07 0.89 -0.15 0.00 -0.74 0.00 0.00 36.82 37.90 1dd4 h ILE 74 CO -0.47 0.11 0.40 0.50 0.00 0.00 0.00 178.15 178.69 1dd4 h LYS 75 N -0.82 0.25 0.47 2.37 3.64 -0.16 -0.01 116.57 122.32 1dd4 h LYS 75 Ca -0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1dd4 h LYS 75 Cb 0.52 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1dd4 h LYS 75 CO 0.08 0.17 -0.23 0.28 -2.27 0.00 0.00 179.45 177.48 1dd4 h VAL 76 N 0.26 0.36 -0.89 2.00 2.07 -0.61 -2.97 116.25 116.47 1dd4 h VAL 76 Ca 0.65 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.85 1dd4 h VAL 76 Cb 1.41 0.52 -0.17 0.00 -1.52 0.00 0.00 31.29 31.54 1dd4 h VAL 76 CO -0.64 0.06 -0.25 0.58 0.02 0.00 0.00 177.57 177.34 1dd4 h VAL 77 N -0.99 0.09 -0.10 2.57 2.07 -0.05 0.76 116.25 120.61 1dd4 h VAL 77 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1dd4 h VAL 77 Cb 0.59 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1dd4 h VAL 77 CO 0.11 0.00 0.02 0.03 0.02 0.00 0.00 177.57 177.75 1dd4 h ARG 78 N -0.01 0.13 0.00 1.57 3.08 -1.26 0.18 114.38 118.06 1dd4 h ARG 78 Ca 0.41 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.34 1dd4 h ARG 78 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1dd4 h ARG 78 CO -0.92 0.13 -0.51 0.93 -1.07 0.00 0.00 179.97 178.52 1dd4 h GLU 79 N 0.13 0.00 0.16 0.04 5.08 0.66 -1.69 114.58 118.96 1dd4 h GLU 79 Ca 0.03 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.05 1dd4 h GLU 79 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1dd4 h GLU 79 CO -0.00 0.51 -1.77 0.82 -1.00 0.00 0.00 179.01 177.57 1dd4 h ILE 80 N 0.00 0.90 0.00 3.13 2.04 0.13 -3.42 117.51 120.29 1dd4 h ILE 80 Ca -0.01 -2.52 -0.28 0.00 1.00 0.00 0.00 64.86 63.05 1dd4 h ILE 80 Cb 0.99 2.70 -0.05 0.00 -0.74 0.00 0.00 36.82 39.72 1dd4 h ILE 80 CO 0.07 0.85 -2.11 0.35 0.00 0.00 0.00 178.15 177.31 1dd4 n THR 81 N -3.54 1.06 -0.28 -0.27 -2.24 0.45 -5.01 114.28 104.45 1dd4 n THR 81 Ca -0.25 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1dd4 n THR 81 Cb 1.07 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1dd4 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dd4 n GLY 82 N 1.96 0.78 0.00 3.38 0.00 -0.64 -5.06 105.19 105.61 1dd4 n GLY 82 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1dd4 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dd4 n LEU 83 N 0.00 0.00 -4.41 0.99 4.32 -1.26 -5.07 117.00 111.57 1dd4 n LEU 83 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1dd4 n LEU 83 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1dd4 n LEU 83 CO 0.00 -0.88 -0.27 -0.83 -1.22 0.00 0.00 177.39 174.20 1dd4 s GLY 84 N -1.73 1.96 0.00 -0.72 0.00 -1.26 -4.89 107.32 100.68 1dd4 s GLY 84 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.72 1dd4 s GLY 84 CO 0.00 -1.75 0.83 1.04 0.00 0.00 0.00 173.10 173.21 1dd4 n LEU 85 N -0.62 0.00 -0.31 0.66 4.32 -1.26 0.17 117.00 119.96 1dd4 n LEU 85 Ca -0.02 0.83 -0.02 0.00 -0.02 0.00 0.00 56.01 56.78 1dd4 n LEU 85 Cb 0.66 -0.33 0.03 0.00 -1.62 0.00 0.00 43.42 42.17 1dd4 n LEU 85 CO 0.41 -0.33 0.61 0.07 -1.22 0.00 0.00 177.39 176.93 1dd4 h LYS 86 N 0.00 -0.06 0.18 3.23 -0.00 -1.98 2.32 116.57 120.27 1dd4 h LYS 86 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1dd4 h LYS 86 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.24 1dd4 h LYS 86 CO 0.00 -0.04 -0.09 0.93 -0.00 0.00 0.00 179.45 180.25 1dd4 h GLU 87 N -0.06 -0.24 -1.09 0.07 4.39 -1.82 0.76 114.58 116.59 1dd4 h GLU 87 Ca 0.31 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.34 1dd4 h GLU 87 Cb 0.58 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.17 1dd4 h GLU 87 CO -0.87 -0.16 0.68 0.00 -1.16 0.00 0.00 179.01 177.50 1dd4 h ALA 88 N -1.87 2.25 -0.08 3.43 0.00 0.22 0.22 119.26 123.43 1dd4 h ALA 88 Ca -0.03 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1dd4 h ALA 88 Cb 0.19 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dd4 h ALA 88 CO 0.04 -0.74 -0.64 -0.22 0.00 0.00 0.00 179.25 177.69 1dd4 h LYS 89 N 0.34 0.57 -0.91 0.00 3.64 0.41 -0.20 116.57 120.41 1dd4 h LYS 89 Ca 0.67 -0.51 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1dd4 h LYS 89 Cb 1.74 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.63 1dd4 h LYS 89 CO -0.40 1.13 0.60 0.22 -2.27 0.00 0.00 179.45 178.74 1dd4 h ASP 90 N 0.18 1.03 0.69 4.20 3.58 0.36 0.45 116.42 126.91 1dd4 h ASP 90 Ca -0.06 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 1dd4 h ASP 90 Cb 1.29 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 42.10 1dd4 h ASP 90 CO 0.13 0.74 -0.33 0.25 -2.88 0.00 0.00 179.24 177.15 1dd4 h LEU 91 N 1.22 -0.79 -1.32 2.28 5.85 -0.93 -3.04 115.31 118.58 1dd4 h LEU 91 Ca 0.34 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.31 1dd4 h LEU 91 Cb -0.13 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 1dd4 h LEU 91 CO -0.08 -0.42 0.65 0.58 -0.34 0.00 0.00 178.44 178.83 1dd4 h VAL 92 N -1.19 0.57 0.00 1.05 2.07 -0.84 0.68 116.25 118.58 1dd4 h VAL 92 Ca -0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1dd4 h VAL 92 Cb 0.74 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1dd4 h VAL 92 CO 0.16 0.08 0.00 -0.62 0.02 0.00 0.00 177.57 177.21 1dd4 n GLU 93 N -4.64 0.58 0.00 1.57 1.02 0.13 -1.76 120.64 117.54 1dd4 n GLU 93 Ca 0.24 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 1dd4 n GLU 93 Cb 0.81 -1.42 0.13 0.00 -0.02 0.00 0.00 31.44 30.94 1dd4 n GLU 93 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dd4 n LYS 94 N -0.92 2.19 -1.44 3.49 5.02 0.24 -5.00 118.16 121.74 1dd4 n LYS 94 Ca 0.12 -1.78 -0.50 0.00 -2.02 0.00 0.00 58.31 54.12 1dd4 n LYS 94 Cb 0.05 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 1dd4 n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dd4 n ALA 95 N 1.15 -2.79 0.00 7.82 0.00 -0.72 -0.55 120.51 125.42 1dd4 n ALA 95 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1dd4 n ALA 95 Cb 0.57 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1dd4 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dd4 n GLY 96 N 1.85 2.66 3.93 0.00 0.00 -0.60 -4.72 105.19 108.31 1dd4 n GLY 96 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1dd4 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dd4 s SER 97 N -1.48 6.25 0.37 1.61 0.15 0.29 -5.00 113.70 115.89 1dd4 s SER 97 Ca 0.00 0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.82 1dd4 s SER 97 Cb 0.00 -1.86 0.71 0.00 -1.71 0.00 0.00 66.02 63.16 1dd4 s SER 97 CO 0.00 0.04 2.00 -0.65 1.20 0.00 0.00 173.24 175.84 1dd4 h PRO 98 N 2.09 0.67 -0.14 5.44 0.11 -1.93 -1.88 132.00 136.36 1dd4 h PRO 98 Ca -0.49 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.57 1dd4 h PRO 98 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1dd4 h PRO 98 CO 0.67 0.48 0.09 -0.44 -0.21 0.00 0.00 178.00 178.60 1dd4 h ASP 99 N 0.68 0.14 0.00 -2.05 5.19 -1.95 -3.28 116.42 115.15 1dd4 h ASP 99 Ca 0.18 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1dd4 h ASP 99 Cb -0.01 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1dd4 h ASP 99 CO -0.03 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.19 1dd4 n ALA 100 N -2.52 1.02 -2.56 3.45 0.00 -0.71 -4.76 120.51 114.42 1dd4 n ALA 100 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1dd4 n ALA 100 Cb 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1dd4 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dd4 s VAL 101 N 0.28 4.48 -1.64 0.00 1.01 -1.24 -0.73 120.40 122.56 1dd4 s VAL 101 Ca 0.00 1.78 0.21 0.00 0.00 0.00 0.00 61.98 63.97 1dd4 s VAL 101 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1dd4 s VAL 101 CO 0.00 0.03 0.99 -0.38 0.00 0.00 0.00 175.10 175.74 1dd4 n ILE 102 N 4.44 0.00 -3.62 2.22 -0.00 0.78 -4.96 119.36 118.23 1dd4 n ILE 102 Ca 0.09 -0.20 -0.06 0.00 -0.00 0.00 0.00 62.75 62.58 1dd4 n ILE 102 Cb 0.48 1.17 -0.05 0.00 -0.00 0.00 0.00 39.64 41.24 1dd4 n ILE 102 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1dd4 s LYS 103 N -2.53 0.30 0.21 0.38 2.47 -1.23 -4.86 119.74 114.48 1dd4 s LYS 103 Ca 0.15 0.15 -0.17 0.00 -1.56 0.00 0.00 55.97 54.53 1dd4 s LYS 103 Cb 0.17 0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.70 1dd4 s LYS 103 CO 0.63 -0.08 0.54 -1.54 0.16 0.00 0.00 175.35 175.06 1dd4 s SER 104 N -0.70 -0.24 -0.72 1.43 1.04 -1.26 -0.16 113.70 113.09 1dd4 s SER 104 Ca 0.04 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 1dd4 s SER 104 Cb -0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1dd4 s SER 104 CO -0.06 -1.10 0.05 0.61 0.98 0.00 0.00 173.24 173.73 1dd4 n GLY 105 N -0.36 0.05 3.64 7.32 0.00 -1.09 -4.94 105.19 109.80 1dd4 n GLY 105 Ca -0.08 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1dd4 n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dd4 s VAL 106 N -2.50 3.50 0.86 1.61 -7.23 -0.72 -4.82 120.40 111.10 1dd4 s VAL 106 Ca 0.02 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 1dd4 s VAL 106 Cb -0.01 -2.81 0.11 0.00 0.56 0.00 0.00 36.38 34.22 1dd4 s VAL 106 CO 0.03 -0.25 1.11 -0.94 -0.31 0.00 0.00 175.10 174.74 1dd4 s SER 107 N -3.30 3.89 0.00 4.85 1.04 -1.26 0.19 113.70 119.11 1dd4 s SER 107 Ca 0.29 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1dd4 s SER 107 Cb -0.08 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1dd4 s SER 107 CO 0.19 -2.34 0.67 1.17 0.98 0.00 0.00 173.24 173.90 1dd4 n LYS 108 N -3.67 0.87 -0.05 4.02 4.81 -1.26 -2.69 118.16 120.19 1dd4 n LYS 108 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 1dd4 n LYS 108 Cb 0.57 -1.20 -0.01 0.00 0.02 0.00 0.00 35.03 34.41 1dd4 n LYS 108 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1dd4 n GLU 109 N -0.24 0.32 -0.08 1.64 0.00 -1.26 -4.21 120.64 116.81 1dd4 n GLU 109 Ca 0.00 0.33 0.17 0.00 0.00 0.00 0.00 57.16 57.67 1dd4 n GLU 109 Cb 0.10 -1.30 0.59 0.00 0.00 0.00 0.00 31.44 30.83 1dd4 n GLU 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1dd4 h GLU 110 N -0.68 0.22 -1.03 5.31 3.07 -1.95 0.34 114.58 119.86 1dd4 h GLU 110 Ca 0.00 -0.01 0.28 0.00 -0.50 0.00 0.00 59.36 59.13 1dd4 h GLU 110 Cb 0.46 -0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 28.20 1dd4 h GLU 110 CO 0.00 0.14 0.62 0.00 -1.40 0.00 0.00 179.01 178.37 1dd4 h ALA 111 N 1.69 1.96 0.12 3.43 0.00 -1.69 0.36 119.26 125.13 1dd4 h ALA 111 Ca 0.31 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 55.06 1dd4 h ALA 111 Cb 0.90 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1dd4 h ALA 111 CO -0.06 -0.47 -1.50 0.93 0.00 0.00 0.00 179.25 178.15 1dd4 h GLU 112 N 0.46 0.26 -0.71 0.00 3.07 -0.53 -1.97 114.58 115.16 1dd4 h GLU 112 Ca 0.67 -0.44 0.16 0.00 -0.50 0.00 0.00 59.36 59.25 1dd4 h GLU 112 Cb 1.46 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 29.50 1dd4 h GLU 112 CO -0.48 1.21 0.48 1.49 -1.40 0.00 0.00 179.01 180.32 1dd4 h GLU 113 N -0.24 0.27 0.09 2.33 4.81 -0.21 0.44 114.58 122.07 1dd4 h GLU 113 Ca -0.32 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.60 1dd4 h GLU 113 Cb 1.82 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 1dd4 h GLU 113 CO 0.07 0.18 -1.57 0.82 -0.73 0.00 0.00 179.01 177.78 1dd4 h ILE 114 N 0.28 0.86 0.08 2.32 2.04 -0.50 -3.27 117.51 119.33 1dd4 h ILE 114 Ca 0.34 -2.32 0.02 0.00 1.00 0.00 0.00 64.86 63.91 1dd4 h ILE 114 Cb 0.95 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 39.49 1dd4 h ILE 114 CO -0.08 0.66 -0.36 0.50 0.00 0.00 0.00 178.15 178.88 1dd4 h LYS 115 N -0.37 -0.54 -0.22 2.37 3.64 -0.62 0.43 116.57 121.25 1dd4 h LYS 115 Ca -0.36 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1dd4 h LYS 115 Cb 1.73 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 33.60 1dd4 h LYS 115 CO -0.01 -0.36 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.08 1dd4 h LYS 116 N -0.56 -0.46 -0.87 1.90 3.64 -0.33 0.44 116.57 120.33 1dd4 h LYS 116 Ca 0.04 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.64 1dd4 h LYS 116 Cb 0.61 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.42 1dd4 h LYS 116 CO -0.23 -0.30 0.40 0.87 -2.27 0.00 0.00 179.45 177.91 1dd4 h LYS 117 N -0.47 0.46 0.00 1.90 1.57 -1.53 0.90 116.57 119.39 1dd4 h LYS 117 Ca 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1dd4 h LYS 117 Cb 0.60 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1dd4 h LYS 117 CO -0.46 0.30 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.49 1dd4 h LEU 118 N 0.47 0.00 0.00 2.94 3.38 0.71 -0.11 115.31 122.70 1dd4 h LEU 118 Ca 0.52 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.29 1dd4 h LEU 118 Cb 0.90 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1dd4 h LEU 118 CO -0.47 0.17 -1.11 -0.33 0.09 0.00 0.00 178.44 176.79 1dd4 h GLU 119 N 0.00 0.00 0.00 1.13 5.08 0.23 -2.69 114.58 118.33 1dd4 h GLU 119 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dd4 h GLU 119 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1dd4 h GLU 119 CO 0.02 0.68 0.00 0.93 -1.00 0.00 0.00 179.01 179.64 1dd4 h GLU 120 N 0.00 0.00 -0.41 2.33 5.08 0.24 0.90 114.58 122.72 1dd4 h GLU 120 Ca -0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1dd4 h GLU 120 Cb 1.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1dd4 h GLU 120 CO 0.09 0.00 0.03 0.00 -1.00 0.00 0.00 179.01 178.13 1dd4 n ALA 121 N -2.00 3.52 -2.92 3.43 0.00 -1.01 -4.98 120.51 116.54 1dd4 n ALA 121 Ca -0.02 -2.28 -0.11 0.00 0.00 0.00 0.00 53.44 51.03 1dd4 n ALA 121 Cb 0.09 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.66 1dd4 n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dd4 n GLY 122 N -0.22 -1.18 3.30 0.00 0.00 0.31 -4.15 105.19 103.25 1dd4 n GLY 122 Ca 0.26 1.22 -0.14 0.00 0.00 0.00 0.00 46.02 47.36 1dd4 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dd4 s ALA 123 N -2.53 -0.99 -0.36 4.61 0.00 -1.02 -4.46 121.76 117.01 1dd4 s ALA 123 Ca 0.25 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 1dd4 s ALA 123 Cb -0.06 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1dd4 s ALA 123 CO 0.78 -0.25 1.05 -2.00 0.00 0.00 0.00 175.76 175.34 1dd4 s GLU 124 N -0.79 3.96 -0.22 0.00 2.56 0.12 -4.07 118.70 120.27 1dd4 s GLU 124 Ca -0.09 0.87 0.01 0.00 0.00 0.00 0.00 54.97 55.77 1dd4 s GLU 124 Cb -0.04 -3.78 0.05 0.00 2.00 0.00 0.00 34.13 32.36 1dd4 s GLU 124 CO 0.04 -1.00 -0.08 0.08 -0.56 0.00 0.00 175.26 173.74 1dd4 s VAL 125 N 3.76 1.59 -0.08 3.70 1.01 -1.26 0.11 120.40 129.23 1dd4 s VAL 125 Ca 0.44 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1dd4 s VAL 125 Cb -0.11 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1dd4 s VAL 125 CO 0.19 0.03 0.01 -0.70 0.00 0.00 0.00 175.10 174.64 1dd4 s GLU 126 N 1.39 2.99 0.20 2.72 2.12 -0.51 -4.97 118.70 122.63 1dd4 s GLU 126 Ca -0.04 -0.41 0.04 0.00 0.36 0.00 0.00 54.97 54.93 1dd4 s GLU 126 Cb -0.18 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1dd4 s GLU 126 CO -0.07 0.70 0.28 -0.51 -0.54 0.00 0.00 175.26 175.12 1dd4 s LEU 127 N -0.96 4.19 0.00 2.70 1.43 -1.26 -1.29 118.68 123.48 1dd4 s LEU 127 Ca 0.14 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1dd4 s LEU 127 Cb -0.11 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1dd4 s LEU 127 CO 0.03 0.00 0.00 1.17 0.23 0.00 0.00 176.35 177.78