#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dd3 s THR 2 N 0.00 2.15 0.10 2.03 2.01 -1.26 -4.83 115.64 115.84 1dd3 s THR 2 Ca 0.00 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 1dd3 s THR 2 Cb 0.00 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.65 1dd3 s THR 2 CO 0.00 -0.06 1.55 0.40 -0.69 0.00 0.00 174.62 175.81 1dd3 h ILE 3 N -1.43 1.25 -0.16 1.82 2.04 -2.05 0.37 117.51 119.36 1dd3 h ILE 3 Ca -0.50 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 1dd3 h ILE 3 Cb 1.32 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1dd3 h ILE 3 CO 0.62 0.30 -0.25 0.44 0.00 0.00 0.00 178.15 179.25 1dd3 h ASP 4 N 0.34 0.28 0.25 1.72 3.45 -1.98 0.73 116.42 121.22 1dd3 h ASP 4 Ca 0.09 -0.09 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 1dd3 h ASP 4 Cb 0.42 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 1dd3 h ASP 4 CO 0.01 0.54 -0.52 -0.08 -1.57 0.00 0.00 179.24 177.63 1dd3 h GLU 5 N 0.26 0.30 0.01 3.56 4.81 -1.84 -1.77 114.58 119.90 1dd3 h GLU 5 Ca 0.04 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 58.89 1dd3 h GLU 5 Cb 0.59 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1dd3 h GLU 5 CO 0.04 0.74 -0.96 0.82 -0.73 0.00 0.00 179.01 178.93 1dd3 h ILE 6 N 0.23 1.66 -0.14 2.32 2.04 -0.29 -2.75 117.51 120.59 1dd3 h ILE 6 Ca 0.01 -3.20 -0.15 0.00 1.00 0.00 0.00 64.86 62.51 1dd3 h ILE 6 Cb 0.99 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1dd3 h ILE 6 CO 0.08 0.92 -0.56 0.40 0.00 0.00 0.00 178.15 178.99 1dd3 h ILE 7 N 0.01 1.34 0.00 -0.67 2.04 -0.62 -0.97 117.51 118.64 1dd3 h ILE 7 Ca -0.02 -1.84 -0.11 0.00 1.00 0.00 0.00 64.86 63.89 1dd3 h ILE 7 Cb 1.68 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 1dd3 h ILE 7 CO 0.13 0.56 -0.51 -0.08 0.00 0.00 0.00 178.15 178.25 1dd3 h GLU 8 N 0.33 0.00 -0.10 2.37 4.57 -1.34 -0.57 114.58 119.83 1dd3 h GLU 8 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1dd3 h GLU 8 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1dd3 h GLU 8 CO 0.10 0.51 -0.35 0.00 -1.18 0.00 0.00 179.01 178.09 1dd3 h ALA 9 N 1.49 0.17 -0.49 2.92 0.00 -1.29 -2.77 119.26 119.29 1dd3 h ALA 9 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1dd3 h ALA 9 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1dd3 h ALA 9 CO 0.07 0.24 0.23 0.82 0.00 0.00 0.00 179.25 180.61 1dd3 h ILE 10 N -0.04 1.17 0.00 0.00 2.04 -1.11 -1.03 117.51 118.54 1dd3 h ILE 10 Ca -0.02 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1dd3 h ILE 10 Cb 0.98 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1dd3 h ILE 10 CO 0.07 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 1dd3 n GLU 11 N -4.38 0.14 0.00 2.37 1.02 -0.23 -2.58 120.64 116.98 1dd3 n GLU 11 Ca 0.04 0.35 0.11 0.00 -0.02 0.00 0.00 57.16 57.64 1dd3 n GLU 11 Cb 0.13 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 29.81 1dd3 n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dd3 n LYS 12 N -2.02 0.97 -1.98 3.49 5.02 -0.40 -4.98 118.16 118.26 1dd3 n LYS 12 Ca 0.03 -0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 55.20 1dd3 n LYS 12 Cb 0.23 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1dd3 n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dd3 s LEU 13 N -2.57 3.54 0.72 -0.35 1.43 -1.07 -5.03 118.68 115.35 1dd3 s LEU 13 Ca 0.17 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 1dd3 s LEU 13 Cb 0.18 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.86 1dd3 s LEU 13 CO 0.62 -1.41 1.09 0.42 0.23 0.00 0.00 176.35 177.30 1dd3 s THR 14 N -2.15 3.47 0.38 5.49 -4.23 -1.26 -4.84 115.64 112.49 1dd3 s THR 14 Ca 0.68 0.48 0.07 0.00 -1.18 0.00 0.00 61.69 61.74 1dd3 s THR 14 Cb -0.21 -3.42 0.29 0.00 1.34 0.00 0.00 72.50 70.51 1dd3 s THR 14 CO 0.35 -0.62 1.98 0.58 -0.54 0.00 0.00 174.62 176.38 1dd3 h VAL 15 N -0.73 1.02 -0.33 2.29 2.07 -1.89 -1.85 116.25 116.83 1dd3 h VAL 15 Ca -0.45 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 1dd3 h VAL 15 Cb 1.25 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1dd3 h VAL 15 CO 0.63 0.12 -0.31 0.28 0.02 0.00 0.00 177.57 178.31 1dd3 h SER 16 N 0.66 0.85 -0.37 0.57 0.02 -1.98 -2.28 113.55 111.02 1dd3 h SER 16 Ca 0.27 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1dd3 h SER 16 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1dd3 h SER 16 CO -0.08 1.14 0.20 -0.33 -1.14 0.00 0.00 176.83 176.62 1dd3 h GLU 17 N 0.58 0.52 -0.42 3.45 5.08 -1.79 -0.25 114.58 121.75 1dd3 h GLU 17 Ca 0.06 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1dd3 h GLU 17 Cb 0.89 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1dd3 h GLU 17 CO 0.08 0.43 0.20 -0.07 -1.00 0.00 0.00 179.01 178.64 1dd3 h LEU 18 N 0.48 0.27 -0.30 1.33 3.38 -1.34 0.46 115.31 119.59 1dd3 h LEU 18 Ca 0.13 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1dd3 h LEU 18 Cb 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1dd3 h LEU 18 CO -0.02 0.20 0.17 0.00 0.09 0.00 0.00 178.44 178.88 1dd3 h ALA 19 N 1.23 0.37 -0.71 1.53 0.00 -1.03 -1.05 119.26 119.61 1dd3 h ALA 19 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1dd3 h ALA 19 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1dd3 h ALA 19 CO -0.14 -0.20 0.20 0.93 0.00 0.00 0.00 179.25 180.03 1dd3 h GLU 20 N 0.35 1.11 0.03 0.00 5.08 -0.51 -0.44 114.58 120.20 1dd3 h GLU 20 Ca 0.12 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dd3 h GLU 20 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1dd3 h GLU 20 CO -0.06 0.97 -0.06 1.25 -1.00 0.00 0.00 179.01 180.11 1dd3 h LEU 21 N 1.05 -0.16 -0.17 1.33 6.46 0.30 0.25 115.31 124.39 1dd3 h LEU 21 Ca 0.22 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1dd3 h LEU 21 Cb 0.34 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1dd3 h LEU 21 CO -0.00 -0.09 0.08 0.58 -0.62 0.00 0.00 178.44 178.39 1dd3 h VAL 22 N -0.11 1.13 -0.85 1.05 2.07 -1.03 0.12 116.25 118.63 1dd3 h VAL 22 Ca 0.01 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1dd3 h VAL 22 Cb 0.13 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1dd3 h VAL 22 CO -0.04 0.12 0.51 0.50 0.02 0.00 0.00 177.57 178.69 1dd3 h LYS 23 N 0.14 0.89 -0.29 1.57 3.11 -0.84 0.15 116.57 121.30 1dd3 h LYS 23 Ca 0.06 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.80 1dd3 h LYS 23 Cb 0.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.14 1dd3 h LYS 23 CO -0.01 0.59 -0.02 0.87 -2.81 0.00 0.00 179.45 178.07 1dd3 h LYS 24 N 0.91 0.45 -0.24 1.90 1.57 0.23 -2.03 116.57 119.36 1dd3 h LYS 24 Ca 0.38 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.89 1dd3 h LYS 24 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1dd3 h LYS 24 CO -0.20 0.49 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.57 1dd3 h LEU 25 N 0.43 0.89 -0.74 2.94 3.38 0.12 -2.71 115.31 119.63 1dd3 h LEU 25 Ca 0.09 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1dd3 h LEU 25 Cb 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1dd3 h LEU 25 CO 0.01 1.28 0.47 -0.33 0.09 0.00 0.00 178.44 179.96 1dd3 h GLU 26 N 0.53 0.89 -0.37 1.13 5.08 -0.87 0.67 114.58 121.64 1dd3 h GLU 26 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1dd3 h GLU 26 Cb 1.15 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1dd3 h GLU 26 CO 0.12 0.59 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.22 1dd3 h ASP 27 N 0.92 0.69 0.09 1.42 3.32 -1.39 0.10 116.42 121.57 1dd3 h ASP 27 Ca 0.29 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1dd3 h ASP 27 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1dd3 h ASP 27 CO -0.10 0.87 -0.04 0.50 -1.72 0.00 0.00 179.24 178.74 1dd3 h LYS 28 N 0.50 -0.12 0.00 3.56 1.63 -1.21 -3.38 116.57 117.56 1dd3 h LYS 28 Ca 0.10 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1dd3 h LYS 28 Cb 0.55 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1dd3 h LYS 28 CO 0.03 0.41 -0.86 1.19 -3.45 0.00 0.00 179.45 176.77 1dd3 n PHE 29 N -4.86 0.05 0.00 1.91 3.72 0.23 -5.09 117.46 113.42 1dd3 n PHE 29 Ca -0.08 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1dd3 n PHE 29 Cb 0.29 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1dd3 n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dd3 n GLY 30 N 1.47 0.13 0.37 1.37 0.00 0.35 -4.23 105.19 104.64 1dd3 n GLY 30 Ca 0.04 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.61 1dd3 n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1dd3 h VAL 31 N 0.00 0.84 0.29 1.61 -1.51 -1.90 0.02 116.25 115.59 1dd3 h VAL 31 Ca 0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1dd3 h VAL 31 Cb 0.00 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.10 1dd3 h VAL 31 CO 0.00 0.15 -0.14 0.74 -1.23 0.00 0.00 177.57 177.10 1dd3 h THR 32 N 0.83 0.72 0.00 7.19 2.02 -1.93 -1.14 112.91 120.60 1dd3 h THR 32 Ca 0.50 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1dd3 h THR 32 Cb 0.67 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1dd3 h THR 32 CO -0.27 0.12 -0.59 0.00 0.37 0.00 0.00 175.52 175.16 1dd3 h ALA 33 N -0.19 1.01 0.00 6.16 0.00 -1.70 -3.06 119.26 121.48 1dd3 h ALA 33 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1dd3 h ALA 33 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dd3 h ALA 33 CO 0.06 0.74 -0.30 0.00 0.00 0.00 0.00 179.25 179.75 1dd3 n ALA 34 N -2.42 2.62 -0.34 0.00 0.00 -0.02 -4.18 120.51 116.16 1dd3 n ALA 34 Ca -0.01 -0.14 0.22 0.00 0.00 0.00 0.00 53.44 53.51 1dd3 n ALA 34 Cb 0.60 -1.32 0.47 0.00 0.00 0.00 0.00 19.45 19.19 1dd3 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dd3 h ALA 35 N 2.55 2.08 -0.98 0.00 0.00 -1.09 -1.78 119.26 120.04 1dd3 h ALA 35 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1dd3 h ALA 35 Cb 0.73 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1dd3 h ALA 35 CO 0.00 -0.54 0.63 -1.35 0.00 0.00 0.00 179.25 177.99 1dd3 h PRO 36 N 0.44 1.14 -0.00 0.00 0.11 -1.79 -1.25 132.00 130.65 1dd3 h PRO 36 Ca 0.64 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.49 1dd3 h PRO 36 Cb 1.48 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1dd3 h PRO 36 CO -0.39 0.75 -0.84 0.28 -0.21 0.00 0.00 178.00 177.59 1dd3 h VAL 37 N 1.17 1.52 0.19 3.15 2.07 -1.64 -1.69 116.25 121.02 1dd3 h VAL 37 Ca 0.41 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 1dd3 h VAL 37 Cb 0.11 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1dd3 h VAL 37 CO -0.15 0.76 -0.09 0.00 0.02 0.00 0.00 177.57 178.11 1dd3 h ALA 38 N 1.05 -0.25 -0.14 1.67 0.00 -1.02 0.15 119.26 120.72 1dd3 h ALA 38 Ca -0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1dd3 h ALA 38 Cb 1.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1dd3 h ALA 38 CO 0.12 -0.62 -0.60 -0.39 0.00 0.00 0.00 179.25 177.76 1dd3 h VAL 39 N -0.30 1.34 0.00 0.00 -1.51 -1.33 -2.54 116.25 111.91 1dd3 h VAL 39 Ca -0.03 -1.90 -0.09 0.00 -1.23 0.00 0.00 66.70 63.46 1dd3 h VAL 39 Cb 0.23 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 1dd3 h VAL 39 CO 0.04 0.58 -0.42 0.00 -1.23 0.00 0.00 177.57 176.54 1dd3 h ALA 40 N 1.01 1.11 0.00 5.19 0.00 -1.13 -3.25 119.26 122.18 1dd3 h ALA 40 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1dd3 h ALA 40 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dd3 h ALA 40 CO 0.11 0.53 -1.42 0.00 0.00 0.00 0.00 179.25 178.47 1dd3 n ALA 41 N -2.37 2.92 -0.34 0.00 0.00 0.52 -4.33 120.51 116.91 1dd3 n ALA 41 Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.06 1dd3 n ALA 41 Cb 0.49 -0.92 0.21 0.00 0.00 0.00 0.00 19.45 19.23 1dd3 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dd3 h ALA 42 N 2.16 1.45 -0.30 0.00 0.00 -1.49 0.49 119.26 121.58 1dd3 h ALA 42 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1dd3 h ALA 42 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dd3 h ALA 42 CO 0.00 0.40 -0.23 -1.35 0.00 0.00 0.00 179.25 178.07 1dd3 h PRO 43 N 1.11 0.57 -0.30 0.00 0.11 -1.75 0.18 132.00 131.92 1dd3 h PRO 43 Ca 0.41 -0.21 -0.05 0.00 0.11 0.00 0.00 66.00 66.26 1dd3 h PRO 43 Cb 0.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1dd3 h PRO 43 CO -0.16 0.76 0.01 0.28 -0.21 0.00 0.00 178.00 178.67 1dd3 h VAL 44 N 0.51 1.25 -0.51 3.15 2.07 -1.38 0.23 116.25 121.57 1dd3 h VAL 44 Ca 0.08 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1dd3 h VAL 44 Cb 0.67 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1dd3 h VAL 44 CO 0.05 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 177.90 1dd3 h ALA 45 N 0.84 0.98 -0.84 1.67 0.00 -0.79 -0.42 119.26 120.70 1dd3 h ALA 45 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dd3 h ALA 45 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1dd3 h ALA 45 CO 0.01 0.62 0.53 0.78 0.00 0.00 0.00 179.25 181.19 1dd3 h GLY 46 N 0.98 1.21 0.92 0.00 0.00 -0.33 0.32 103.07 106.17 1dd3 h GLY 46 Ca 0.15 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1dd3 h GLY 46 CO 0.03 0.47 -0.05 0.00 0.00 0.00 0.00 176.54 176.99 1dd3 h ALA 47 N 1.43 0.46 -0.48 3.60 0.00 -0.31 -1.70 119.26 122.26 1dd3 h ALA 47 Ca 0.31 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1dd3 h ALA 47 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1dd3 h ALA 47 CO -0.06 0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.54 1dd3 h ALA 48 N 0.83 1.23 -0.38 0.00 0.00 -0.45 0.16 119.26 120.66 1dd3 h ALA 48 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dd3 h ALA 48 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dd3 h ALA 48 CO 0.03 0.52 0.21 0.00 0.00 0.00 0.00 179.25 180.01 1dd3 h ALA 49 N 1.37 0.48 -0.50 0.00 0.00 -0.10 -0.72 119.26 119.79 1dd3 h ALA 49 Ca 0.15 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1dd3 h ALA 49 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dd3 h ALA 49 CO 0.00 -0.00 -0.19 0.78 0.00 0.00 0.00 179.25 179.84 1dd3 h GLY 50 N 0.48 1.09 2.00 0.00 0.00 -0.71 -2.63 103.07 103.30 1dd3 h GLY 50 Ca 0.13 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1dd3 h GLY 50 CO -0.02 0.86 -0.11 0.00 0.00 0.00 0.00 176.54 177.27 1dd3 h ALA 51 N 0.89 1.15 0.00 3.60 0.00 -0.42 -1.99 119.26 122.50 1dd3 h ALA 51 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1dd3 h ALA 51 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1dd3 h ALA 51 CO 0.06 0.14 -0.68 0.00 0.00 0.00 0.00 179.25 178.78 1dd3 h ALA 52 N 1.89 0.56 0.00 0.00 0.00 -0.78 -2.48 119.26 118.45 1dd3 h ALA 52 Ca -0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 1dd3 h ALA 52 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1dd3 h ALA 52 CO 0.01 0.84 -0.62 0.37 0.00 0.00 0.00 179.25 179.86 1dd3 h GLN 53 N 0.00 0.00 0.00 0.00 5.75 -1.12 -1.30 115.11 118.44 1dd3 h GLN 53 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1dd3 h GLN 53 Cb 1.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.07 1dd3 h GLN 53 CO 0.09 0.62 -0.79 0.93 -2.65 0.00 0.00 178.83 177.02 1dd3 h GLU 54 N 0.00 0.00 -0.23 1.69 5.08 -1.46 -3.29 114.58 116.38 1dd3 h GLU 54 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1dd3 h GLU 54 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1dd3 h GLU 54 CO 0.08 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 1dd3 n GLU 55 N -2.51 2.15 -3.53 2.33 1.02 -0.94 -4.97 120.64 114.20 1dd3 n GLU 55 Ca 0.01 -1.99 -0.26 0.00 -0.02 0.00 0.00 57.16 54.91 1dd3 n GLU 55 Cb 0.51 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.54 1dd3 n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dd3 n LYS 56 N 1.22 -5.66 0.00 3.49 4.01 -1.05 -4.84 118.16 115.33 1dd3 n LYS 56 Ca 0.15 0.72 0.11 0.00 -0.51 0.00 0.00 58.31 58.78 1dd3 n LYS 56 Cb 0.53 -5.62 0.08 0.00 -0.51 0.00 0.00 35.03 29.51 1dd3 n LYS 56 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1dd3 n THR 57 N -4.61 0.00 -3.70 -0.18 -2.24 -0.52 -4.88 114.28 98.15 1dd3 n THR 57 Ca -0.01 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1dd3 n THR 57 Cb 0.56 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 1dd3 n THR 57 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1dd3 s GLU 58 N -2.81 0.93 0.34 -0.78 2.02 -1.03 -4.92 118.70 112.45 1dd3 s GLU 58 Ca 0.14 -0.57 0.04 0.00 0.02 0.00 0.00 54.97 54.60 1dd3 s GLU 58 Cb 0.17 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.78 1dd3 s GLU 58 CO 0.71 -0.33 0.15 -0.06 0.02 0.00 0.00 175.26 175.75 1dd3 s PHE 59 N -3.05 1.70 0.23 1.61 0.40 -0.28 -4.40 117.98 114.20 1dd3 s PHE 59 Ca -0.02 -1.32 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 1dd3 s PHE 59 Cb 0.01 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.50 1dd3 s PHE 59 CO -0.06 -0.42 0.11 0.16 0.70 0.00 0.00 175.22 175.71 1dd3 s ASP 60 N -3.46 0.70 -0.29 1.36 3.84 -0.39 -1.39 116.67 117.03 1dd3 s ASP 60 Ca 0.32 -1.39 0.03 0.00 -0.00 0.00 0.00 52.55 51.52 1dd3 s ASP 60 Cb 0.04 0.26 0.08 0.00 -1.38 0.00 0.00 42.92 41.93 1dd3 s ASP 60 CO 0.17 -0.78 -0.03 -0.69 -0.00 0.00 0.00 175.17 173.84 1dd3 s VAL 61 N -3.95 2.09 -0.14 2.11 1.01 0.15 -2.15 120.40 119.52 1dd3 s VAL 61 Ca 0.38 -1.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 1dd3 s VAL 61 Cb 0.07 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1dd3 s VAL 61 CO 0.13 -0.30 0.31 -0.69 0.00 0.00 0.00 175.10 174.55 1dd3 s VAL 62 N 1.07 5.28 -0.34 2.92 1.01 -0.55 -0.59 120.40 129.20 1dd3 s VAL 62 Ca 0.00 0.59 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1dd3 s VAL 62 Cb -0.19 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1dd3 s VAL 62 CO -0.07 0.41 0.91 -0.22 0.00 0.00 0.00 175.10 176.13 1dd3 s LEU 63 N 0.26 4.02 0.21 3.92 2.96 0.65 -1.07 118.68 129.63 1dd3 s LEU 63 Ca 0.18 0.68 0.23 0.00 -0.22 0.00 0.00 54.13 54.99 1dd3 s LEU 63 Cb -0.13 -3.25 0.03 0.00 0.50 0.00 0.00 46.19 43.34 1dd3 s LEU 63 CO 0.05 -0.79 1.08 0.11 -1.32 0.00 0.00 176.35 175.49 1dd3 h LYS 64 N 8.30 0.00 -1.20 1.98 1.57 0.82 0.00 116.57 128.05 1dd3 h LYS 64 Ca -0.23 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.72 1dd3 h LYS 64 Cb 1.08 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.09 1dd3 h LYS 64 CO 0.96 0.00 0.79 0.45 -0.57 0.00 0.00 179.45 181.08 1dd3 s SER 65 N -5.32 -0.15 0.00 0.86 0.15 -0.88 -2.95 113.70 105.41 1dd3 s SER 65 Ca 0.00 0.26 0.27 0.00 0.70 0.00 0.00 55.95 57.18 1dd3 s SER 65 Cb 0.10 0.25 0.78 0.00 -1.71 0.00 0.00 66.02 65.44 1dd3 s SER 65 CO 0.78 -0.07 1.59 2.22 1.20 0.00 0.00 173.24 178.96 1dd3 n PHE 66 N 1.49 0.00 -3.42 3.44 1.16 -1.26 -0.41 117.46 118.45 1dd3 n PHE 66 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1dd3 n PHE 66 Cb 0.57 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 1dd3 n PHE 66 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1dd3 n GLY 67 N 1.26 2.28 0.69 4.97 0.00 -1.18 -3.44 105.19 109.76 1dd3 n GLY 67 Ca 0.16 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1dd3 n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dd3 n GLN 68 N 13.37 1.71 -2.66 1.61 1.13 -1.25 -4.50 117.38 126.79 1dd3 n GLN 68 Ca 0.00 -1.40 -0.24 0.00 -1.94 0.00 0.00 57.00 53.43 1dd3 n GLN 68 Cb 0.00 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 28.90 1dd3 n GLN 68 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1dd3 n ASN 69 N 0.59 3.94 -0.37 1.08 4.13 -1.22 -4.91 115.26 118.50 1dd3 n ASN 69 Ca 0.11 -3.52 0.01 0.00 1.68 0.00 0.00 54.58 52.86 1dd3 n ASN 69 Cb 0.51 -0.50 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 1dd3 n ASN 69 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1dd3 n LYS 70 N -0.32 -0.19 0.05 3.52 4.81 -1.24 0.70 118.16 125.49 1dd3 n LYS 70 Ca 0.32 1.53 0.05 0.00 -0.87 0.00 0.00 58.31 59.34 1dd3 n LYS 70 Cb 0.62 -2.27 0.47 0.00 0.02 0.00 0.00 35.03 33.87 1dd3 n LYS 70 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1dd3 h ILE 71 N 0.00 1.07 0.00 3.15 1.08 -1.91 -0.07 117.51 120.83 1dd3 h ILE 71 Ca 0.38 -0.15 -0.13 0.00 -0.39 0.00 0.00 64.86 64.57 1dd3 h ILE 71 Cb 0.63 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1dd3 h ILE 71 CO -0.99 0.08 -0.62 -0.61 -0.69 0.00 0.00 178.15 175.32 1dd3 h GLN 72 N 0.43 0.00 0.03 2.37 5.75 -0.05 -2.36 115.11 121.28 1dd3 h GLN 72 Ca 0.12 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.36 1dd3 h GLN 72 Cb -0.02 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.54 1dd3 h GLN 72 CO -0.03 0.62 -1.07 0.28 -2.65 0.00 0.00 178.83 175.98 1dd3 h VAL 73 N 0.00 1.32 -0.25 2.39 2.07 -0.12 -3.15 116.25 118.51 1dd3 h VAL 73 Ca -0.01 -2.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.07 1dd3 h VAL 73 Cb 1.41 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1dd3 h VAL 73 CO 0.08 0.73 -0.11 0.40 0.02 0.00 0.00 177.57 178.68 1dd3 h ILE 74 N 0.31 1.21 0.42 4.57 2.04 -1.03 -1.92 117.51 123.12 1dd3 h ILE 74 Ca -0.13 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1dd3 h ILE 74 Cb 1.73 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1dd3 h ILE 74 CO 0.20 0.30 -0.22 0.50 0.00 0.00 0.00 178.15 178.93 1dd3 h LYS 75 N 0.39 -0.58 -0.61 2.37 3.64 -1.39 -0.08 116.57 120.32 1dd3 h LYS 75 Ca 0.08 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1dd3 h LYS 75 Cb 0.44 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1dd3 h LYS 75 CO 0.02 -0.38 0.40 0.28 -2.27 0.00 0.00 179.45 177.50 1dd3 h VAL 76 N -0.60 1.14 -0.42 2.00 2.07 -1.50 -0.06 116.25 118.88 1dd3 h VAL 76 Ca -0.05 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1dd3 h VAL 76 Cb 0.47 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1dd3 h VAL 76 CO 0.08 0.15 0.07 0.58 0.02 0.00 0.00 177.57 178.46 1dd3 h VAL 77 N 0.80 1.24 -0.19 2.57 2.07 -0.90 -0.34 116.25 121.51 1dd3 h VAL 77 Ca 0.23 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1dd3 h VAL 77 Cb -0.06 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1dd3 h VAL 77 CO -0.05 0.31 0.06 0.03 0.02 0.00 0.00 177.57 177.94 1dd3 h ARG 78 N 0.56 0.29 -0.58 1.57 3.08 -0.30 0.20 114.38 119.20 1dd3 h ARG 78 Ca 0.13 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.22 1dd3 h ARG 78 Cb 0.38 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 1dd3 h ARG 78 CO 0.01 0.39 0.15 0.93 -1.07 0.00 0.00 179.97 180.38 1dd3 h GLU 79 N 0.14 0.29 0.34 0.04 5.08 -0.84 0.57 114.58 120.19 1dd3 h GLU 79 Ca 0.06 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1dd3 h GLU 79 Cb 0.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dd3 h GLU 79 CO -0.00 0.19 -0.16 0.82 -1.00 0.00 0.00 179.01 178.86 1dd3 h ILE 80 N 0.30 0.59 0.06 3.13 2.04 -0.72 -3.38 117.51 119.52 1dd3 h ILE 80 Ca 0.30 -0.65 -0.30 0.00 1.00 0.00 0.00 64.86 65.21 1dd3 h ILE 80 Cb 0.42 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1dd3 h ILE 80 CO -0.36 0.11 -1.66 0.71 0.00 0.00 0.00 178.15 176.95 1dd3 h THR 81 N -0.86 0.96 0.00 -0.27 1.35 -0.49 -3.48 112.91 110.12 1dd3 h THR 81 Ca -0.05 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 1dd3 h THR 81 Cb 0.53 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1dd3 h THR 81 CO 0.08 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1dd3 n GLY 82 N 1.66 0.72 3.71 5.82 0.00 0.20 -5.04 105.19 112.26 1dd3 n GLY 82 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1dd3 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dd3 n LEU 83 N 0.00 5.75 0.00 0.99 4.77 -1.26 -5.00 117.00 122.25 1dd3 n LEU 83 Ca 0.00 0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 56.58 1dd3 n LEU 83 Cb 0.00 -1.54 0.17 0.00 -2.33 0.00 0.00 43.42 39.72 1dd3 n LEU 83 CO 0.00 -1.12 0.46 0.61 -1.33 0.00 0.00 177.39 176.01 1dd3 n GLY 84 N 0.94 -2.44 0.33 -0.72 0.00 -1.26 -4.75 105.19 97.30 1dd3 n GLY 84 Ca 0.16 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 1dd3 n GLY 84 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dd3 h LEU 85 N 0.00 -0.68 -0.36 0.99 5.85 -1.99 -2.06 115.31 117.06 1dd3 h LEU 85 Ca -0.29 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1dd3 h LEU 85 Cb 0.86 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1dd3 h LEU 85 CO 0.19 -0.35 -0.29 0.11 -0.34 0.00 0.00 178.44 177.77 1dd3 h LYS 86 N -1.09 -0.09 -0.87 1.25 1.57 -1.99 -0.41 116.57 114.94 1dd3 h LYS 86 Ca -0.08 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.85 1dd3 h LYS 86 Cb 0.62 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1dd3 h LYS 86 CO 0.14 -0.06 0.56 1.05 -0.57 0.00 0.00 179.45 180.57 1dd3 h GLU 87 N -0.09 0.61 -0.29 3.15 9.09 -1.95 -0.37 114.58 124.72 1dd3 h GLU 87 Ca 0.06 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.34 1dd3 h GLU 87 Cb 0.25 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 1dd3 h GLU 87 CO -0.39 0.40 -0.19 0.00 0.05 0.00 0.00 179.01 178.88 1dd3 h ALA 88 N 1.61 0.42 0.00 1.06 0.00 -0.43 -1.08 119.26 120.84 1dd3 h ALA 88 Ca 0.44 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1dd3 h ALA 88 Cb 0.77 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1dd3 h ALA 88 CO -0.19 0.35 -0.23 -0.22 0.00 0.00 0.00 179.25 178.96 1dd3 h LYS 89 N 0.39 0.00 -0.16 0.00 3.64 -0.37 -0.13 116.57 119.94 1dd3 h LYS 89 Ca 0.06 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1dd3 h LYS 89 Cb 0.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1dd3 h LYS 89 CO 0.05 0.23 -0.06 0.22 -2.27 0.00 0.00 179.45 177.62 1dd3 h ASP 90 N 0.00 0.34 -0.15 4.20 3.58 -0.79 -1.11 116.42 122.49 1dd3 h ASP 90 Ca -0.00 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 1dd3 h ASP 90 Cb 0.41 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1dd3 h ASP 90 CO 0.03 0.66 -0.02 0.25 -2.88 0.00 0.00 179.24 177.28 1dd3 h LEU 91 N 0.02 0.28 -0.06 2.28 5.85 -0.66 -3.11 115.31 119.91 1dd3 h LEU 91 Ca 0.04 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1dd3 h LEU 91 Cb 0.52 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1dd3 h LEU 91 CO 0.02 0.56 0.01 0.58 -0.34 0.00 0.00 178.44 179.27 1dd3 h VAL 92 N 0.00 0.97 0.00 1.05 2.07 -1.08 -2.00 116.25 117.27 1dd3 h VAL 92 Ca 0.04 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1dd3 h VAL 92 Cb 0.43 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1dd3 h VAL 92 CO 0.01 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 1dd3 n GLU 93 N -5.09 0.13 -0.19 1.57 1.02 -0.42 -0.93 120.64 116.72 1dd3 n GLU 93 Ca -0.06 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 1dd3 n GLU 93 Cb 0.05 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.23 1dd3 n GLU 93 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dd3 n LYS 94 N -1.05 2.34 -1.40 3.49 5.02 -0.75 -4.99 118.16 120.82 1dd3 n LYS 94 Ca 0.03 -2.03 -0.40 0.00 -2.02 0.00 0.00 58.31 53.89 1dd3 n LYS 94 Cb 0.02 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1dd3 n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dd3 n ALA 95 N 1.22 -1.87 0.00 7.82 0.00 -0.11 -1.05 120.51 126.53 1dd3 n ALA 95 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1dd3 n ALA 95 Cb 0.53 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1dd3 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dd3 n GLY 96 N 1.99 2.90 3.80 0.00 0.00 -0.01 -4.83 105.19 109.04 1dd3 n GLY 96 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1dd3 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dd3 s SER 97 N -0.25 7.18 0.54 1.61 0.15 -0.21 -4.96 113.70 117.76 1dd3 s SER 97 Ca 0.00 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.45 1dd3 s SER 97 Cb 0.00 -2.46 1.42 0.00 -1.71 0.00 0.00 66.02 63.27 1dd3 s SER 97 CO 0.00 0.06 1.98 -0.65 1.20 0.00 0.00 173.24 175.83 1dd3 h PRO 98 N 3.61 0.00 -0.94 5.44 0.11 -1.93 -0.98 132.00 137.31 1dd3 h PRO 98 Ca -0.48 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 1dd3 h PRO 98 Cb 1.20 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.01 1dd3 h PRO 98 CO 0.65 0.00 0.61 -0.40 -0.21 0.00 0.00 178.00 178.66 1dd3 n ASP 99 N -4.31 4.23 -3.06 -2.05 5.75 -1.26 -4.43 116.55 111.42 1dd3 n ASP 99 Ca 0.11 -3.65 -0.35 0.00 -0.01 0.00 0.00 54.79 50.88 1dd3 n ASP 99 Cb 0.65 -0.84 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1dd3 n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dd3 n ALA 100 N -1.11 6.53 -2.58 2.12 0.00 -0.37 -4.91 120.51 120.18 1dd3 n ALA 100 Ca 0.58 -3.80 -0.42 0.00 0.00 0.00 0.00 53.44 49.80 1dd3 n ALA 100 Cb 1.47 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1dd3 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dd3 s VAL 101 N -2.66 4.75 0.07 0.00 1.01 -1.26 -0.25 120.40 122.05 1dd3 s VAL 101 Ca 0.53 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1dd3 s VAL 101 Cb 0.30 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.21 1dd3 s VAL 101 CO -0.20 -0.46 1.15 0.40 0.00 0.00 0.00 175.10 175.99 1dd3 h ILE 102 N 5.78 1.28 -2.00 2.22 1.08 -1.20 -3.47 117.51 121.19 1dd3 h ILE 102 Ca -0.25 -2.34 -0.05 0.00 -0.39 0.00 0.00 64.86 61.83 1dd3 h ILE 102 Cb 1.10 2.52 -0.20 0.00 -3.07 0.00 0.00 36.82 37.17 1dd3 h ILE 102 CO 0.91 0.72 0.16 -0.75 -0.69 0.00 0.00 178.15 178.50 1dd3 s LYS 103 N -3.17 0.96 0.20 2.37 2.20 -1.24 -4.88 119.74 116.18 1dd3 s LYS 103 Ca -0.10 0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1dd3 s LYS 103 Cb 0.06 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.80 1dd3 s LYS 103 CO 0.93 -0.23 0.13 -1.54 -0.36 0.00 0.00 175.35 174.28 1dd3 s SER 104 N -0.50 0.18 -0.11 1.43 1.04 -1.26 0.32 113.70 114.79 1dd3 s SER 104 Ca -0.06 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1dd3 s SER 104 Cb -0.02 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1dd3 s SER 104 CO 0.06 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1dd3 n GLY 105 N -0.28 0.49 3.99 7.32 0.00 -0.49 -4.94 105.19 111.29 1dd3 n GLY 105 Ca 0.02 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 1dd3 n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dd3 s VAL 106 N -2.01 3.76 0.42 1.61 -7.23 -0.94 -4.82 120.40 111.19 1dd3 s VAL 106 Ca 0.00 -0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 59.08 1dd3 s VAL 106 Cb 0.00 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.56 1dd3 s VAL 106 CO 0.00 -0.12 0.84 -0.94 -0.31 0.00 0.00 175.10 174.56 1dd3 s SER 107 N -4.23 6.64 0.22 4.85 1.04 -1.26 -1.12 113.70 119.84 1dd3 s SER 107 Ca 0.48 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 58.13 1dd3 s SER 107 Cb -0.10 -2.40 0.31 0.00 0.10 0.00 0.00 66.02 63.93 1dd3 s SER 107 CO 0.32 -0.40 1.63 0.50 0.98 0.00 0.00 173.24 176.27 1dd3 h LYS 108 N 1.45 0.04 -0.20 4.02 1.63 -1.94 0.81 116.57 122.38 1dd3 h LYS 108 Ca -0.47 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.38 1dd3 h LYS 108 Cb 1.18 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.74 1dd3 h LYS 108 CO 0.63 0.02 -0.28 1.49 -3.45 0.00 0.00 179.45 177.87 1dd3 h GLU 109 N 0.04 -0.30 -0.13 1.90 4.81 -1.99 0.53 114.58 119.45 1dd3 h GLU 109 Ca 0.35 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 1dd3 h GLU 109 Cb 0.56 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1dd3 h GLU 109 CO -0.67 -0.20 -0.25 1.49 -0.73 0.00 0.00 179.01 178.65 1dd3 h GLU 110 N -0.32 0.22 -0.50 1.92 4.81 -1.20 0.01 114.58 119.53 1dd3 h GLU 110 Ca 0.12 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1dd3 h GLU 110 Cb 0.50 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1dd3 h GLU 110 CO -0.38 0.47 -0.18 0.00 -0.73 0.00 0.00 179.01 178.19 1dd3 h ALA 111 N 1.54 0.75 -0.50 2.92 0.00 0.18 -1.42 119.26 122.73 1dd3 h ALA 111 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1dd3 h ALA 111 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1dd3 h ALA 111 CO 0.04 0.67 0.11 0.93 0.00 0.00 0.00 179.25 180.99 1dd3 h GLU 112 N 0.86 0.80 -0.16 0.00 4.39 0.69 0.31 114.58 121.47 1dd3 h GLU 112 Ca 0.12 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1dd3 h GLU 112 Cb 0.74 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1dd3 h GLU 112 CO 0.06 0.79 -0.05 1.49 -1.16 0.00 0.00 179.01 180.13 1dd3 h GLU 113 N 0.69 0.23 0.08 2.33 4.81 -0.75 -1.77 114.58 120.20 1dd3 h GLU 113 Ca 0.15 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1dd3 h GLU 113 Cb 0.35 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1dd3 h GLU 113 CO 0.00 0.30 -0.49 0.82 -0.73 0.00 0.00 179.01 178.92 1dd3 h ILE 114 N 0.23 1.63 -0.82 2.32 2.04 -0.83 -2.74 117.51 119.34 1dd3 h ILE 114 Ca 0.05 -2.46 0.14 0.00 1.00 0.00 0.00 64.86 63.60 1dd3 h ILE 114 Cb 0.25 3.28 -0.09 0.00 -0.74 0.00 0.00 36.82 39.51 1dd3 h ILE 114 CO 0.01 0.67 0.40 0.50 0.00 0.00 0.00 178.15 179.74 1dd3 h LYS 115 N -0.63 0.56 -0.06 2.37 3.64 -0.24 -0.36 116.57 121.85 1dd3 h LYS 115 Ca -0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1dd3 h LYS 115 Cb 1.38 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1dd3 h LYS 115 CO 0.09 0.37 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.33 1dd3 h LYS 116 N 0.58 0.18 0.00 1.90 3.64 -1.42 -0.80 116.57 120.64 1dd3 h LYS 116 Ca 0.45 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1dd3 h LYS 116 Cb 0.64 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1dd3 h LYS 116 CO -0.37 0.66 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.24 1dd3 h LYS 117 N -0.29 0.00 0.19 1.90 1.63 -1.09 0.21 116.57 119.12 1dd3 h LYS 117 Ca 0.01 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 1dd3 h LYS 117 Cb 0.64 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1dd3 h LYS 117 CO 0.02 0.00 -1.57 -0.07 -3.45 0.00 0.00 179.45 174.38 1dd3 h LEU 118 N 0.00 0.61 -1.14 5.20 3.38 -0.96 -3.33 115.31 119.08 1dd3 h LEU 118 Ca -0.00 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 56.96 1dd3 h LEU 118 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1dd3 h LEU 118 CO 0.00 1.72 -0.33 -0.33 0.09 0.00 0.00 178.44 179.59 1dd3 h GLU 119 N 0.01 0.18 0.00 1.13 5.08 -0.20 -0.84 114.58 119.94 1dd3 h GLU 119 Ca -0.31 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1dd3 h GLU 119 Cb 2.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1dd3 h GLU 119 CO 0.17 0.50 0.00 0.39 -1.00 0.00 0.00 179.01 179.07 1dd3 n GLU 120 N -4.11 0.02 -0.17 2.33 1.02 0.65 -0.12 120.64 120.28 1dd3 n GLU 120 Ca -0.01 0.35 0.09 0.00 -0.02 0.00 0.00 57.16 57.57 1dd3 n GLU 120 Cb 0.41 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.51 1dd3 n GLU 120 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dd3 n ALA 121 N -1.45 2.37 -2.32 0.62 0.00 -0.32 -4.96 120.51 114.45 1dd3 n ALA 121 Ca 0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 53.44 52.46 1dd3 n ALA 121 Cb 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1dd3 n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dd3 n GLY 122 N 1.14 0.63 3.48 0.00 0.00 0.84 -4.42 105.19 106.87 1dd3 n GLY 122 Ca 0.16 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1dd3 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dd3 s ALA 123 N -2.59 2.77 -0.23 4.61 0.00 -1.21 -3.12 121.76 121.99 1dd3 s ALA 123 Ca 0.02 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.09 1dd3 s ALA 123 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1dd3 s ALA 123 CO 0.02 0.30 0.02 -2.00 0.00 0.00 0.00 175.76 174.10 1dd3 s GLU 124 N -3.43 3.56 0.10 0.00 2.12 0.45 -4.20 118.70 117.30 1dd3 s GLU 124 Ca 0.29 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 55.17 1dd3 s GLU 124 Cb -0.05 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1dd3 s GLU 124 CO 0.15 -0.15 -0.13 0.08 -0.54 0.00 0.00 175.26 174.66 1dd3 s VAL 125 N 1.46 3.15 -0.08 3.70 1.01 -1.26 0.14 120.40 128.51 1dd3 s VAL 125 Ca 0.05 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 1dd3 s VAL 125 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1dd3 s VAL 125 CO 0.01 0.14 -0.04 -0.70 0.00 0.00 0.00 175.10 174.52 1dd3 s GLU 126 N -2.07 1.03 -0.34 2.72 2.12 -0.23 -4.88 118.70 117.04 1dd3 s GLU 126 Ca 0.19 -0.08 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 1dd3 s GLU 126 Cb -0.11 -1.20 0.01 0.00 0.26 0.00 0.00 34.13 33.09 1dd3 s GLU 126 CO 0.11 -0.24 0.83 -0.51 -0.54 0.00 0.00 175.26 174.91 1dd3 s LEU 127 N 1.65 4.08 0.00 2.70 1.43 -1.26 -1.48 118.68 125.80 1dd3 s LEU 127 Ca 0.02 0.55 0.16 0.00 -1.03 0.00 0.00 54.13 53.82 1dd3 s LEU 127 Cb -0.13 -3.12 0.13 0.00 0.03 0.00 0.00 46.19 43.10 1dd3 s LEU 127 CO -0.05 -0.72 1.00 0.29 0.23 0.00 0.00 176.35 177.10