#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 4.42 0.25 2.03 -4.23 -1.26 -4.80 115.64 112.05 1dd4 s THR 2 Ca 0.00 0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1dd4 s THR 2 Cb 0.00 -3.68 0.22 0.00 1.34 0.00 0.00 72.50 70.38 1dd4 s THR 2 CO 0.00 -0.88 1.73 0.40 -0.54 0.00 0.00 174.62 175.33 1dd4 h ILE 3 N 0.05 0.65 -0.64 2.99 2.04 -2.05 0.28 117.51 120.84 1dd4 h ILE 3 Ca -0.45 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 1dd4 h ILE 3 Cb 1.20 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1dd4 h ILE 3 CO 0.60 0.08 0.08 0.44 0.00 0.00 0.00 178.15 179.36 1dd4 h ASP 4 N 0.46 1.03 -0.68 1.72 3.45 -1.98 0.13 116.42 120.54 1dd4 h ASP 4 Ca 0.43 -0.27 0.09 0.00 0.43 0.00 0.00 57.03 57.70 1dd4 h ASP 4 Cb 0.65 -0.27 -0.07 0.00 -0.56 0.00 0.00 39.33 39.08 1dd4 h ASP 4 CO -0.41 1.04 0.34 -0.33 -1.57 0.00 0.00 179.24 178.31 1dd4 h GLU 5 N 0.98 0.57 -0.32 3.56 5.08 -0.97 0.38 114.58 123.86 1dd4 h GLU 5 Ca 0.19 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1dd4 h GLU 5 Cb 0.46 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1dd4 h GLU 5 CO 0.02 0.38 -0.11 0.82 -1.00 0.00 0.00 179.01 179.12 1dd4 h ILE 6 N 0.59 1.29 -0.69 3.13 2.04 0.01 0.75 117.51 124.62 1dd4 h ILE 6 Ca 0.33 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1dd4 h ILE 6 Cb 0.33 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1dd4 h ILE 6 CO -0.25 0.38 0.31 0.40 0.00 0.00 0.00 178.15 178.99 1dd4 h ILE 7 N 0.40 1.24 0.86 -0.67 2.04 -0.08 0.47 117.51 121.77 1dd4 h ILE 7 Ca 0.08 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1dd4 h ILE 7 Cb 0.61 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1dd4 h ILE 7 CO 0.04 0.28 -0.42 -0.08 0.00 0.00 0.00 178.15 177.97 1dd4 h GLU 8 N 0.97 -1.13 -0.92 2.37 4.22 -0.16 0.09 114.58 120.02 1dd4 h GLU 8 Ca 0.23 0.08 0.23 0.00 0.08 0.00 0.00 59.36 59.98 1dd4 h GLU 8 Cb 0.15 0.26 -0.13 0.00 0.50 0.00 0.00 28.75 29.53 1dd4 h GLU 8 CO -0.03 -0.75 0.43 0.00 -2.18 0.00 0.00 179.01 176.48 1dd4 h ALA 9 N -1.03 1.51 -0.29 2.92 0.00 -0.46 -0.03 119.26 121.88 1dd4 h ALA 9 Ca -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1dd4 h ALA 9 Cb 0.90 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1dd4 h ALA 9 CO 0.19 -0.34 0.02 0.82 0.00 0.00 0.00 179.25 179.94 1dd4 h ILE 10 N 0.42 1.25 0.00 0.00 2.04 0.35 -2.90 117.51 118.67 1dd4 h ILE 10 Ca 0.58 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1dd4 h ILE 10 Cb 1.11 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1dd4 h ILE 10 CO -0.52 0.28 0.00 -0.62 0.00 0.00 0.00 178.15 177.29 1dd4 n GLU 11 N -4.61 0.44 0.00 2.37 1.02 -0.02 -1.33 120.64 118.51 1dd4 n GLU 11 Ca -0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1dd4 n GLU 11 Cb 0.23 -1.22 -0.05 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.72 3.83 -1.87 3.49 5.02 -1.10 -5.02 118.16 121.80 1dd4 n LYS 12 Ca 0.05 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 1dd4 n LYS 12 Cb 0.02 -0.94 0.03 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.35 3.42 0.58 -0.35 1.43 -0.44 -5.05 118.68 115.93 1dd4 s LEU 13 Ca 0.04 1.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 1dd4 s LEU 13 Cb 0.07 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.76 1dd4 s LEU 13 CO 0.36 -1.44 0.87 0.42 0.23 0.00 0.00 176.35 176.79 1dd4 s THR 14 N -2.41 3.41 0.31 5.49 -4.23 -1.26 -4.85 115.64 112.09 1dd4 s THR 14 Ca 0.65 -0.18 0.07 0.00 -1.18 0.00 0.00 61.69 61.05 1dd4 s THR 14 Cb -0.18 -3.35 0.30 0.00 1.34 0.00 0.00 72.50 70.61 1dd4 s THR 14 CO 0.40 -0.33 1.75 0.58 -0.54 0.00 0.00 174.62 176.48 1dd4 h VAL 15 N -0.13 0.62 -0.23 2.29 2.07 -1.88 0.90 116.25 119.89 1dd4 h VAL 15 Ca -0.45 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 1dd4 h VAL 15 Cb 1.27 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1dd4 h VAL 15 CO 0.59 0.12 -0.49 0.28 0.02 0.00 0.00 177.57 178.09 1dd4 h SER 16 N 0.65 0.82 -0.92 0.57 0.02 -1.96 -0.85 113.55 111.88 1dd4 h SER 16 Ca 0.60 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1dd4 h SER 16 Cb 1.02 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1dd4 h SER 16 CO -0.43 1.23 0.53 -0.33 -1.14 0.00 0.00 176.83 176.68 1dd4 h GLU 17 N 0.45 1.26 -0.50 3.45 5.08 -1.44 0.44 114.58 123.33 1dd4 h GLU 17 Ca 0.00 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1dd4 h GLU 17 Cb 1.10 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1dd4 h GLU 17 CO 0.11 0.90 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.87 1dd4 h LEU 18 N 1.28 0.91 0.96 1.33 3.38 -0.84 -0.50 115.31 121.82 1dd4 h LEU 18 Ca 0.33 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1dd4 h LEU 18 Cb -0.01 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.50 1dd4 h LEU 18 CO -0.06 1.01 -0.46 0.00 0.09 0.00 0.00 178.44 179.03 1dd4 h ALA 19 N 1.07 -1.28 -0.52 1.53 0.00 0.19 -1.95 119.26 118.30 1dd4 h ALA 19 Ca 0.14 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1dd4 h ALA 19 Cb 0.61 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1dd4 h ALA 19 CO 0.04 -1.20 0.35 0.93 0.00 0.00 0.00 179.25 179.37 1dd4 h GLU 20 N -1.33 0.46 0.05 0.00 5.08 -0.13 -1.42 114.58 117.30 1dd4 h GLU 20 Ca -0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1dd4 h GLU 20 Cb 0.98 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1dd4 h GLU 20 CO 0.22 0.31 -0.02 1.25 -1.00 0.00 0.00 179.01 179.76 1dd4 h LEU 21 N 0.47 -0.05 -0.42 1.33 6.46 -0.98 -0.73 115.31 121.39 1dd4 h LEU 21 Ca 0.22 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1dd4 h LEU 21 Cb 0.28 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1dd4 h LEU 21 CO -0.06 0.33 0.23 0.58 -0.62 0.00 0.00 178.44 178.90 1dd4 h VAL 22 N -0.45 1.15 0.18 1.05 2.07 -1.11 0.21 116.25 119.37 1dd4 h VAL 22 Ca -0.01 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1dd4 h VAL 22 Cb 0.40 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1dd4 h VAL 22 CO 0.01 0.16 -0.26 0.50 0.02 0.00 0.00 177.57 178.00 1dd4 h LYS 23 N 0.54 -0.48 -0.99 1.57 3.64 -1.27 0.58 116.57 120.16 1dd4 h LYS 23 Ca 0.15 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.72 1dd4 h LYS 23 Cb 0.05 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 1dd4 h LYS 23 CO -0.02 -0.32 0.62 0.87 -2.27 0.00 0.00 179.45 178.32 1dd4 h LYS 24 N -0.50 0.81 -0.58 1.90 1.57 -0.87 0.75 116.57 119.66 1dd4 h LYS 24 Ca 0.01 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1dd4 h LYS 24 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1dd4 h LYS 24 CO -0.10 0.54 0.01 -0.07 -0.57 0.00 0.00 179.45 179.25 1dd4 h LEU 25 N 0.84 0.97 -0.33 2.94 3.38 0.01 -1.85 115.31 121.27 1dd4 h LEU 25 Ca 0.53 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1dd4 h LEU 25 Cb 0.73 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1dd4 h LEU 25 CO -0.31 1.02 -0.02 -0.33 0.09 0.00 0.00 178.44 178.88 1dd4 h GLU 26 N 0.91 0.59 -0.48 1.13 5.08 0.13 0.59 114.58 122.53 1dd4 h GLU 26 Ca 0.17 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1dd4 h GLU 26 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1dd4 h GLU 26 CO 0.03 0.74 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.29 1dd4 h ASP 27 N 0.39 0.81 0.11 1.42 3.32 -1.04 0.25 116.42 121.68 1dd4 h ASP 27 Ca 0.09 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 1dd4 h ASP 27 Cb 0.48 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.83 1dd4 h ASP 27 CO 0.02 0.91 -0.64 0.50 -1.72 0.00 0.00 179.24 178.31 1dd4 h LYS 28 N 0.77 0.22 -0.24 3.56 3.64 -1.28 -3.38 116.57 119.85 1dd4 h LYS 28 Ca 0.14 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1dd4 h LYS 28 Cb 0.53 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1dd4 h LYS 28 CO 0.03 1.18 0.00 1.19 -2.27 0.00 0.00 179.45 179.58 1dd4 n PHE 29 N -4.24 0.31 0.00 1.91 3.01 0.19 -5.10 117.46 113.54 1dd4 n PHE 29 Ca -0.13 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1dd4 n PHE 29 Cb 0.74 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1dd4 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dd4 n GLY 30 N 0.96 -1.88 0.18 1.37 0.00 0.88 -4.10 105.19 102.60 1dd4 n GLY 30 Ca 0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 1dd4 n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1dd4 h VAL 31 N 0.00 1.36 0.57 1.61 -1.51 -1.90 -1.91 116.25 114.47 1dd4 h VAL 31 Ca 0.00 -1.78 -0.02 0.00 -1.23 0.00 0.00 66.70 63.67 1dd4 h VAL 31 Cb 0.00 1.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1dd4 h VAL 31 CO 0.00 0.53 -0.50 0.74 -1.23 0.00 0.00 177.57 177.11 1dd4 h THR 32 N 0.17 0.00 -0.03 7.19 2.02 -1.94 0.70 112.91 121.02 1dd4 h THR 32 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1dd4 h THR 32 Cb 0.97 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1dd4 h THR 32 CO 0.08 0.00 -0.46 0.00 0.37 0.00 0.00 175.52 175.51 1dd4 h ALA 33 N -0.99 1.19 0.00 6.16 0.00 -1.71 -3.13 119.26 120.78 1dd4 h ALA 33 Ca -0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1dd4 h ALA 33 Cb 0.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1dd4 h ALA 33 CO -0.02 0.59 -0.47 0.00 0.00 0.00 0.00 179.25 179.35 1dd4 h ALA 34 N 1.48 0.71 -1.03 0.00 0.00 -1.01 -3.37 119.26 116.03 1dd4 h ALA 34 Ca 0.00 -0.43 0.27 0.00 0.00 0.00 0.00 54.91 54.76 1dd4 h ALA 34 Cb 0.83 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1dd4 h ALA 34 CO 0.06 0.59 0.63 0.00 0.00 0.00 0.00 179.25 180.53 1dd4 h ALA 35 N 1.53 2.00 0.08 0.00 0.00 0.47 -1.95 119.26 121.39 1dd4 h ALA 35 Ca -0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dd4 h ALA 35 Cb 1.34 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1dd4 h ALA 35 CO 0.06 -0.48 -0.05 -1.35 0.00 0.00 0.00 179.25 177.43 1dd4 h PRO 36 N 0.46 -0.12 -0.20 0.00 0.11 -1.79 -1.49 132.00 128.98 1dd4 h PRO 36 Ca 0.65 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.71 1dd4 h PRO 36 Cb 1.45 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.58 1dd4 h PRO 36 CO -0.44 -0.08 -0.17 0.28 -0.21 0.00 0.00 178.00 177.39 1dd4 h VAL 37 N -0.12 1.22 0.25 3.15 2.07 -1.67 -2.28 116.25 118.87 1dd4 h VAL 37 Ca -0.01 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1dd4 h VAL 37 Cb 0.10 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1dd4 h VAL 37 CO 0.01 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 177.78 1dd4 h ALA 38 N 1.52 -0.34 0.00 1.67 0.00 -0.99 0.48 119.26 121.60 1dd4 h ALA 38 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dd4 h ALA 38 Cb 0.48 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dd4 h ALA 38 CO 0.03 -0.68 0.00 1.33 0.00 0.00 0.00 179.25 179.93 1dd4 n VAL 39 N -5.23 0.31 -0.04 0.00 0.24 -0.59 -2.13 118.33 110.90 1dd4 n VAL 39 Ca -0.10 0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1dd4 n VAL 39 Cb 0.17 -0.66 -0.14 0.00 -1.47 0.00 0.00 33.84 31.73 1dd4 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dd4 n ALA 40 N -1.49 1.40 0.09 2.33 0.00 -0.87 -4.23 120.51 117.74 1dd4 n ALA 40 Ca 0.06 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 1dd4 n ALA 40 Cb 0.28 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 1dd4 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dd4 h ALA 41 N 0.80 0.26 -0.88 0.00 0.00 -0.79 -3.38 119.26 115.27 1dd4 h ALA 41 Ca -0.37 -0.85 0.11 0.00 0.00 0.00 0.00 54.91 53.79 1dd4 h ALA 41 Cb 2.06 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.67 1dd4 h ALA 41 CO 0.06 1.02 -0.50 0.00 0.00 0.00 0.00 179.25 179.84 1dd4 h ALA 42 N 0.77 -0.31 -0.18 0.00 0.00 -1.60 0.35 119.26 118.29 1dd4 h ALA 42 Ca -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dd4 h ALA 42 Cb 1.81 1.17 -0.01 0.00 0.00 0.00 0.00 17.79 20.76 1dd4 h ALA 42 CO 0.17 -0.84 0.07 -1.35 0.00 0.00 0.00 179.25 177.30 1dd4 h PRO 43 N -0.07 0.25 -0.24 0.00 0.11 -1.81 0.10 132.00 130.34 1dd4 h PRO 43 Ca 0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1dd4 h PRO 43 Cb 0.51 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1dd4 h PRO 43 CO -0.89 0.21 0.11 0.28 -0.21 0.00 0.00 178.00 177.50 1dd4 h VAL 44 N 0.25 1.16 -0.06 3.15 2.07 -0.53 -0.91 116.25 121.38 1dd4 h VAL 44 Ca 0.07 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1dd4 h VAL 44 Cb 0.05 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1dd4 h VAL 44 CO -0.01 0.16 -0.40 0.00 0.02 0.00 0.00 177.57 177.34 1dd4 h ALA 45 N 0.96 1.23 -0.29 1.67 0.00 -0.47 -1.21 119.26 121.16 1dd4 h ALA 45 Ca 0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1dd4 h ALA 45 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dd4 h ALA 45 CO -0.01 0.54 -0.23 0.78 0.00 0.00 0.00 179.25 180.34 1dd4 h GLY 46 N 1.21 0.59 1.11 0.00 0.00 -0.46 0.12 103.07 105.64 1dd4 h GLY 46 Ca 0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1dd4 h GLY 46 CO 0.06 0.44 -0.43 0.00 0.00 0.00 0.00 176.54 176.61 1dd4 h ALA 47 N 1.27 0.51 -0.75 3.60 0.00 -0.73 -2.30 119.26 120.87 1dd4 h ALA 47 Ca 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1dd4 h ALA 47 Cb 0.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1dd4 h ALA 47 CO 0.05 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.23 1dd4 h ALA 48 N 0.73 1.08 0.23 0.00 0.00 -0.82 0.57 119.26 121.05 1dd4 h ALA 48 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1dd4 h ALA 48 Cb 1.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1dd4 h ALA 48 CO 0.10 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.76 1dd4 h ALA 49 N 1.21 -0.48 0.04 0.00 0.00 -0.60 0.47 119.26 119.89 1dd4 h ALA 49 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1dd4 h ALA 49 Cb 0.23 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1dd4 h ALA 49 CO -0.02 -0.80 -0.12 0.78 0.00 0.00 0.00 179.25 179.09 1dd4 h GLY 50 N -0.50 -0.18 -0.04 0.00 0.00 -1.04 -2.35 103.07 98.97 1dd4 h GLY 50 Ca -0.00 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.55 1dd4 h GLY 50 CO -0.06 -0.12 -0.24 0.00 0.00 0.00 0.00 176.54 176.12 1dd4 h ALA 51 N 0.71 0.01 -0.28 3.60 0.00 -0.63 0.21 119.26 122.88 1dd4 h ALA 51 Ca 0.03 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1dd4 h ALA 51 Cb 0.26 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1dd4 h ALA 51 CO -0.09 -0.61 -0.51 0.00 0.00 0.00 0.00 179.25 178.03 1dd4 h ALA 52 N 1.02 -0.72 -0.02 0.00 0.00 -0.56 -2.10 119.26 116.87 1dd4 h ALA 52 Ca 0.19 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1dd4 h ALA 52 Cb 0.47 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1dd4 h ALA 52 CO -0.49 -1.01 -0.47 0.37 0.00 0.00 0.00 179.25 177.64 1dd4 h GLN 53 N -0.46 -0.58 0.00 0.00 5.75 -0.84 -0.46 115.11 118.51 1dd4 h GLN 53 Ca 0.07 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1dd4 h GLN 53 Cb 0.63 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1dd4 h GLN 53 CO -0.51 -0.39 0.00 -1.91 -2.65 0.00 0.00 178.83 173.37 1dd4 n GLU 54 N -5.45 0.00 -1.11 1.69 0.00 -0.01 -1.32 120.64 114.44 1dd4 n GLU 54 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.14 1dd4 n GLU 54 Cb 0.38 -1.35 0.08 0.00 0.00 0.00 0.00 31.44 30.55 1dd4 n GLU 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1dd4 n GLU 55 N -0.85 0.49 -2.04 5.31 1.02 -0.23 -4.98 120.64 119.36 1dd4 n GLU 55 Ca 0.00 -2.30 -0.05 0.00 -0.02 0.00 0.00 57.16 54.79 1dd4 n GLU 55 Cb 0.00 -0.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 1dd4 n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dd4 n LYS 56 N -0.06 -2.17 -4.28 3.49 4.01 -0.43 -4.88 118.16 113.83 1dd4 n LYS 56 Ca 0.10 0.26 -0.34 0.00 -0.51 0.00 0.00 58.31 57.81 1dd4 n LYS 56 Cb 0.97 -4.65 -0.13 0.00 -0.51 0.00 0.00 35.03 30.70 1dd4 n LYS 56 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1dd4 s THR 57 N -1.98 3.61 0.17 -0.18 -4.23 -0.93 -4.87 115.64 107.22 1dd4 s THR 57 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1dd4 s THR 57 Cb 0.00 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1dd4 s THR 57 CO 0.00 0.47 0.00 -0.62 -0.54 0.00 0.00 174.62 173.93 1dd4 n GLU 58 N 4.01 -2.50 -4.36 3.99 1.02 -1.26 -2.90 120.64 118.64 1dd4 n GLU 58 Ca -0.18 1.84 -0.18 0.00 -0.02 0.00 0.00 57.16 58.62 1dd4 n GLU 58 Cb 0.52 -1.97 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 1dd4 n GLU 58 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1dd4 s PHE 59 N -1.26 1.68 0.32 -0.32 0.40 0.18 -4.17 117.98 114.82 1dd4 s PHE 59 Ca 0.00 -0.91 0.07 0.00 -0.60 0.00 0.00 56.93 55.49 1dd4 s PHE 59 Cb 0.00 -0.99 -0.06 0.00 0.51 0.00 0.00 43.02 42.47 1dd4 s PHE 59 CO 0.00 -0.00 -0.04 0.16 0.70 0.00 0.00 175.22 176.04 1dd4 s ASP 60 N -3.35 3.08 -0.29 1.36 3.84 -1.26 -2.31 116.67 117.74 1dd4 s ASP 60 Ca 0.30 -1.25 0.03 0.00 -0.00 0.00 0.00 52.55 51.63 1dd4 s ASP 60 Cb 0.06 -0.23 0.08 0.00 -1.38 0.00 0.00 42.92 41.45 1dd4 s ASP 60 CO 0.10 -0.37 -0.02 -0.69 -0.00 0.00 0.00 175.17 174.19 1dd4 s VAL 61 N -2.92 1.99 -0.14 2.11 1.01 -0.69 -2.57 120.40 119.19 1dd4 s VAL 61 Ca 0.32 -1.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 1dd4 s VAL 61 Cb 0.05 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1dd4 s VAL 61 CO 0.14 -0.31 0.13 -0.69 0.00 0.00 0.00 175.10 174.37 1dd4 s VAL 62 N 1.12 5.43 -0.37 2.92 1.01 0.37 -0.75 120.40 130.13 1dd4 s VAL 62 Ca 0.01 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1dd4 s VAL 62 Cb -0.19 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1dd4 s VAL 62 CO -0.08 0.57 0.86 -0.22 0.00 0.00 0.00 175.10 176.23 1dd4 s LEU 63 N -0.64 4.06 -0.04 3.92 0.20 -0.77 -0.19 118.68 125.21 1dd4 s LEU 63 Ca 0.13 0.48 -0.09 0.00 0.69 0.00 0.00 54.13 55.34 1dd4 s LEU 63 Cb -0.12 -3.15 -0.30 0.00 -0.43 0.00 0.00 46.19 42.19 1dd4 s LEU 63 CO 0.02 -0.80 0.68 0.50 -0.29 0.00 0.00 176.35 176.47 1dd4 h LYS 64 N 8.48 0.36 -2.54 1.98 3.64 0.13 0.37 116.57 129.00 1dd4 h LYS 64 Ca -0.24 -0.61 -0.09 0.00 -1.27 0.00 0.00 60.65 58.44 1dd4 h LYS 64 Cb 1.09 0.23 -0.22 0.00 -0.41 0.00 0.00 32.23 32.91 1dd4 h LYS 64 CO 0.95 1.26 -0.10 0.45 -2.27 0.00 0.00 179.45 179.74 1dd4 s SER 65 N -7.21 -0.48 0.00 4.20 0.15 -0.80 -1.27 113.70 108.29 1dd4 s SER 65 Ca -0.15 0.79 0.20 0.00 0.70 0.00 0.00 55.95 57.50 1dd4 s SER 65 Cb 0.06 0.82 0.95 0.00 -1.71 0.00 0.00 66.02 66.14 1dd4 s SER 65 CO 0.85 -0.29 1.65 2.22 1.20 0.00 0.00 173.24 178.86 1dd4 n PHE 66 N 2.22 0.10 -4.57 3.44 1.16 -1.26 -0.44 117.46 118.11 1dd4 n PHE 66 Ca -0.16 -0.05 0.00 0.00 -1.87 0.00 0.00 57.45 55.37 1dd4 n PHE 66 Cb 0.56 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.43 1dd4 n PHE 66 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1dd4 n GLY 67 N 0.98 0.42 0.18 4.97 0.00 -1.22 -3.91 105.19 106.60 1dd4 n GLY 67 Ca 0.15 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -2.90 1.61 1.08 -1.89 -3.40 115.11 109.60 1dd4 h GLN 68 Ca 0.00 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.59 1dd4 h GLN 68 Cb 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.03 1dd4 h GLN 68 CO 0.00 0.13 -0.74 1.21 -0.95 0.00 0.00 178.83 178.48 1dd4 s ASN 69 N -6.12 3.53 0.34 1.46 3.84 -1.26 -4.95 114.94 111.77 1dd4 s ASN 69 Ca 0.05 -3.04 0.05 0.00 0.21 0.00 0.00 52.86 50.13 1dd4 s ASN 69 Cb 0.06 -1.09 0.70 0.00 -0.55 0.00 0.00 41.25 40.38 1dd4 s ASN 69 CO 0.71 -0.20 1.90 0.50 -2.79 0.00 0.00 177.10 177.22 1dd4 h LYS 70 N 6.17 0.79 -0.70 0.43 3.64 -1.79 -2.07 116.57 123.04 1dd4 h LYS 70 Ca 0.08 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1dd4 h LYS 70 Cb 0.88 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1dd4 h LYS 70 CO 0.53 0.53 0.26 0.82 -2.27 0.00 0.00 179.45 179.31 1dd4 h ILE 71 N 0.82 1.25 -0.33 2.00 1.08 -1.92 -0.54 117.51 119.87 1dd4 h ILE 71 Ca 0.41 -0.82 -0.10 0.00 -0.39 0.00 0.00 64.86 63.96 1dd4 h ILE 71 Cb 0.46 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 1dd4 h ILE 71 CO -0.17 0.32 -0.20 -0.61 -0.69 0.00 0.00 178.15 176.80 1dd4 h GLN 72 N 1.01 0.62 -0.38 2.37 5.75 -1.71 -1.33 115.11 121.45 1dd4 h GLN 72 Ca 0.23 -0.23 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 1dd4 h GLN 72 Cb 0.25 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1dd4 h GLN 72 CO -0.01 0.79 -0.30 0.28 -2.65 0.00 0.00 178.83 176.93 1dd4 h VAL 73 N 0.55 1.28 -0.66 2.39 2.07 -1.01 -2.16 116.25 118.71 1dd4 h VAL 73 Ca 0.08 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 1dd4 h VAL 73 Cb 0.66 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1dd4 h VAL 73 CO 0.05 0.48 0.09 0.40 0.02 0.00 0.00 177.57 178.61 1dd4 h ILE 74 N 0.69 1.26 -0.28 4.57 2.04 -0.83 0.11 117.51 125.07 1dd4 h ILE 74 Ca 0.08 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1dd4 h ILE 74 Cb 0.84 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1dd4 h ILE 74 CO 0.07 0.40 0.16 0.50 0.00 0.00 0.00 178.15 179.27 1dd4 h LYS 75 N 1.02 0.31 0.07 2.37 3.64 -1.01 0.85 116.57 123.82 1dd4 h LYS 75 Ca 0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1dd4 h LYS 75 Cb 0.46 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1dd4 h LYS 75 CO 0.02 0.21 -0.03 0.28 -2.27 0.00 0.00 179.45 177.65 1dd4 h VAL 76 N 0.32 1.06 -0.57 2.00 2.07 -1.20 -1.50 116.25 118.42 1dd4 h VAL 76 Ca 0.11 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1dd4 h VAL 76 Cb 0.01 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1dd4 h VAL 76 CO -0.06 0.10 0.06 0.58 0.02 0.00 0.00 177.57 178.27 1dd4 h VAL 77 N -0.27 0.60 -0.20 2.57 2.07 -0.80 0.51 116.25 120.74 1dd4 h VAL 77 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1dd4 h VAL 77 Cb 0.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1dd4 h VAL 77 CO 0.01 0.03 0.10 -0.09 0.02 0.00 0.00 177.57 177.65 1dd4 h ARG 78 N 0.19 0.27 -0.10 1.57 2.43 -0.64 0.40 114.38 118.49 1dd4 h ARG 78 Ca 0.30 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1dd4 h ARG 78 Cb 0.45 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1dd4 h ARG 78 CO -0.43 0.21 -0.45 0.93 -1.51 0.00 0.00 179.97 178.72 1dd4 h GLU 79 N 0.27 0.48 -0.35 0.20 5.08 0.73 0.77 114.58 121.77 1dd4 h GLU 79 Ca 0.07 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1dd4 h GLU 79 Cb 0.03 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1dd4 h GLU 79 CO -0.01 1.01 -0.04 0.82 -1.00 0.00 0.00 179.01 179.79 1dd4 h ILE 80 N 0.06 1.27 0.00 3.13 2.04 0.55 -3.36 117.51 121.20 1dd4 h ILE 80 Ca -0.03 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1dd4 h ILE 80 Cb 1.09 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1dd4 h ILE 80 CO 0.09 0.35 -1.70 0.35 0.00 0.00 0.00 178.15 177.24 1dd4 n THR 81 N -4.46 0.08 -0.88 -0.27 -2.24 0.13 -4.96 114.28 101.68 1dd4 n THR 81 Ca -0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1dd4 n THR 81 Cb 0.30 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.29 0.91 3.76 3.38 0.00 0.26 -4.97 105.19 109.81 1dd4 n GLY 82 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1dd4 n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dd4 s LEU 83 N 0.00 3.96 1.28 0.99 2.96 -1.26 -4.99 118.68 121.62 1dd4 s LEU 83 Ca 0.00 2.80 -0.19 0.00 -0.22 0.00 0.00 54.13 56.52 1dd4 s LEU 83 Cb 0.00 -4.15 0.32 0.00 0.50 0.00 0.00 46.19 42.86 1dd4 s LEU 83 CO 0.00 -1.39 1.01 -0.83 -1.32 0.00 0.00 176.35 173.81 1dd4 s GLY 84 N -0.81 1.49 0.03 7.98 0.00 -1.26 -4.68 107.32 110.06 1dd4 s GLY 84 Ca 0.67 -0.64 -0.25 0.00 0.00 0.00 0.00 44.72 44.50 1dd4 s GLY 84 CO 0.50 0.24 1.45 -2.00 0.00 0.00 0.00 173.10 173.29 1dd4 h LEU 85 N -2.92 -0.11 -0.70 0.66 5.85 -1.98 -0.20 115.31 115.91 1dd4 h LEU 85 Ca -0.50 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 57.88 1dd4 h LEU 85 Cb 1.33 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1dd4 h LEU 85 CO 0.38 0.17 -0.26 0.07 -0.34 0.00 0.00 178.44 178.46 1dd4 h LYS 86 N -0.39 0.73 -0.20 1.25 2.10 -1.98 -0.04 116.57 118.04 1dd4 h LYS 86 Ca -0.01 -0.30 -0.14 0.00 -2.00 0.00 0.00 60.65 58.20 1dd4 h LYS 86 Cb 0.33 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1dd4 h LYS 86 CO 0.02 0.91 -0.45 1.05 -2.00 0.00 0.00 179.45 178.98 1dd4 h GLU 87 N 0.63 0.49 -0.34 0.07 9.09 -1.92 0.38 114.58 122.98 1dd4 h GLU 87 Ca 0.08 -0.26 -0.05 0.00 0.05 0.00 0.00 59.36 59.18 1dd4 h GLU 87 Cb 0.76 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.86 1dd4 h GLU 87 CO 0.06 0.84 0.03 0.00 0.05 0.00 0.00 179.01 179.99 1dd4 h ALA 88 N 1.12 0.45 -0.45 1.06 0.00 -0.78 0.67 119.26 121.33 1dd4 h ALA 88 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1dd4 h ALA 88 Cb 0.94 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1dd4 h ALA 88 CO 0.08 0.18 0.18 -0.22 0.00 0.00 0.00 179.25 179.47 1dd4 h LYS 89 N 0.40 0.68 0.38 0.00 3.64 -0.75 0.27 116.57 121.19 1dd4 h LYS 89 Ca 0.10 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1dd4 h LYS 89 Cb 0.40 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1dd4 h LYS 89 CO 0.01 0.62 -0.40 0.22 -2.27 0.00 0.00 179.45 177.63 1dd4 h ASP 90 N 0.59 -1.09 -0.95 4.20 3.58 -0.00 -0.96 116.42 121.78 1dd4 h ASP 90 Ca 0.15 0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.76 1dd4 h ASP 90 Cb 0.19 0.37 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 1dd4 h ASP 90 CO -0.01 -0.54 0.61 0.25 -2.88 0.00 0.00 179.24 176.66 1dd4 h LEU 91 N -0.81 0.96 -0.90 2.28 5.85 -0.68 -2.58 115.31 119.44 1dd4 h LEU 91 Ca -0.03 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1dd4 h LEU 91 Cb 0.73 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1dd4 h LEU 91 CO -0.07 0.61 -0.35 0.58 -0.34 0.00 0.00 178.44 178.87 1dd4 h VAL 92 N 1.10 1.29 0.00 1.05 2.07 -0.57 -2.59 116.25 118.60 1dd4 h VAL 92 Ca 0.41 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1dd4 h VAL 92 Cb 0.17 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1dd4 h VAL 92 CO -0.18 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 1dd4 n GLU 93 N -4.07 0.71 0.00 1.57 1.02 -0.40 -1.58 120.64 117.89 1dd4 n GLU 93 Ca -0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1dd4 n GLU 93 Cb 0.46 -1.33 0.16 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.83 1.73 -1.57 3.49 5.02 -0.98 -4.97 118.16 120.05 1dd4 n LYS 94 Ca 0.11 -1.35 -0.56 0.00 -2.02 0.00 0.00 58.31 54.49 1dd4 n LYS 94 Cb 0.05 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.52 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 0.55 -1.94 0.00 7.82 0.00 -0.61 0.57 120.51 126.90 1dd4 n ALA 95 Ca 0.13 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1dd4 n ALA 95 Cb 0.50 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 2.35 2.30 3.82 0.00 0.00 0.13 -4.69 105.19 109.11 1dd4 n GLY 96 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 6.98 0.48 1.61 0.15 0.19 -4.97 113.70 117.92 1dd4 s SER 97 Ca 0.00 1.50 0.15 0.00 0.70 0.00 0.00 55.95 58.30 1dd4 s SER 97 Cb 0.00 -2.46 1.12 0.00 -1.71 0.00 0.00 66.02 62.98 1dd4 s SER 97 CO 0.00 -0.15 2.07 -0.65 1.20 0.00 0.00 173.24 175.71 1dd4 h PRO 98 N 2.65 0.02 -0.63 5.44 0.11 -1.92 -1.94 132.00 135.73 1dd4 h PRO 98 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dd4 h PRO 98 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dd4 h PRO 98 CO 0.64 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 1dd4 n ASP 99 N -4.43 5.06 -2.12 -2.05 5.75 -1.26 -4.36 116.55 113.14 1dd4 n ASP 99 Ca -0.03 -2.74 -0.18 0.00 -0.01 0.00 0.00 54.79 51.84 1dd4 n ASP 99 Cb 0.16 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 39.56 1dd4 n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dd4 n ALA 100 N 0.66 5.85 -2.64 2.12 0.00 -0.73 -4.89 120.51 120.88 1dd4 n ALA 100 Ca 0.25 -2.09 -0.43 0.00 0.00 0.00 0.00 53.44 51.16 1dd4 n ALA 100 Cb 1.04 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.23 4.56 0.09 0.00 1.01 -1.26 -1.84 120.40 121.72 1dd4 s VAL 101 Ca 0.48 1.83 -0.07 0.00 0.00 0.00 0.00 61.98 64.21 1dd4 s VAL 101 Cb 0.29 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 32.04 1dd4 s VAL 101 CO -0.09 -0.39 1.19 0.40 0.00 0.00 0.00 175.10 176.21 1dd4 h ILE 102 N 5.65 1.40 -3.28 2.22 1.08 -1.28 -3.47 117.51 119.82 1dd4 h ILE 102 Ca -0.20 -2.66 -0.04 0.00 -0.39 0.00 0.00 64.86 61.57 1dd4 h ILE 102 Cb 1.06 2.68 -0.13 0.00 -3.07 0.00 0.00 36.82 37.37 1dd4 h ILE 102 CO 1.02 0.79 0.01 -0.75 -0.69 0.00 0.00 178.15 178.53 1dd4 s LYS 103 N -2.97 1.13 0.30 2.37 2.20 -1.25 -4.88 119.74 116.64 1dd4 s LYS 103 Ca -0.06 -0.64 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 1dd4 s LYS 103 Cb 0.07 0.50 0.02 0.00 -1.51 0.00 0.00 37.83 36.92 1dd4 s LYS 103 CO 0.89 -0.46 0.70 -1.54 -0.36 0.00 0.00 175.35 174.58 1dd4 s SER 104 N -2.79 -0.14 -0.21 1.43 1.04 -1.26 -1.70 113.70 110.07 1dd4 s SER 104 Ca 0.02 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1dd4 s SER 104 Cb 0.01 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1dd4 s SER 104 CO -0.12 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.31 1dd4 n GLY 105 N -0.47 0.53 3.98 7.32 0.00 -1.14 -4.97 105.19 110.44 1dd4 n GLY 105 Ca -0.05 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.92 4.44 1.16 1.61 -7.23 -0.98 -4.77 120.40 112.72 1dd4 s VAL 106 Ca 0.00 -0.92 -0.17 0.00 -1.81 0.00 0.00 61.98 59.07 1dd4 s VAL 106 Cb 0.00 -3.56 0.27 0.00 0.56 0.00 0.00 36.38 33.65 1dd4 s VAL 106 CO 0.00 -0.24 1.09 -0.94 -0.31 0.00 0.00 175.10 174.70 1dd4 s SER 107 N -4.12 1.23 -0.02 4.85 1.04 -1.26 0.52 113.70 115.93 1dd4 s SER 107 Ca 0.42 0.84 -0.19 0.00 0.48 0.00 0.00 55.95 57.49 1dd4 s SER 107 Cb -0.09 -1.23 -0.12 0.00 0.10 0.00 0.00 66.02 64.67 1dd4 s SER 107 CO 0.31 -3.95 0.82 0.50 0.98 0.00 0.00 173.24 171.90 1dd4 h LYS 108 N -2.46 -0.53 -0.07 4.02 1.63 -1.96 -1.24 116.57 115.95 1dd4 h LYS 108 Ca -0.49 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.37 1dd4 h LYS 108 Cb 1.31 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1dd4 h LYS 108 CO 0.41 -0.28 0.06 1.05 -3.45 0.00 0.00 179.45 177.24 1dd4 h GLU 109 N -1.08 0.00 -0.05 1.90 4.11 -1.98 0.26 114.58 117.74 1dd4 h GLU 109 Ca -0.06 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.17 1dd4 h GLU 109 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1dd4 h GLU 109 CO 0.09 0.00 -0.81 1.49 0.07 0.00 0.00 179.01 179.85 1dd4 h GLU 110 N 0.00 0.41 -0.21 1.06 4.81 -1.94 0.36 114.58 119.08 1dd4 h GLU 110 Ca 0.03 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1dd4 h GLU 110 Cb 0.15 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1dd4 h GLU 110 CO -0.00 1.03 -0.43 0.00 -0.73 0.00 0.00 179.01 178.88 1dd4 h ALA 111 N 0.86 0.87 -0.07 2.92 0.00 0.61 -1.21 119.26 123.24 1dd4 h ALA 111 Ca -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1dd4 h ALA 111 Cb 1.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1dd4 h ALA 111 CO 0.14 0.64 -0.07 0.93 0.00 0.00 0.00 179.25 180.90 1dd4 h GLU 112 N 0.42 0.17 -0.93 0.00 5.08 -0.36 -1.38 114.58 117.57 1dd4 h GLU 112 Ca 0.03 -0.09 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1dd4 h GLU 112 Cb 0.92 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 1dd4 h GLU 112 CO 0.08 0.60 0.56 0.93 -1.00 0.00 0.00 179.01 180.18 1dd4 h GLU 113 N -0.26 0.84 -0.03 2.33 5.08 -0.09 0.22 114.58 122.67 1dd4 h GLU 113 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1dd4 h GLU 113 Cb 0.57 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1dd4 h GLU 113 CO 0.02 0.56 -0.02 0.82 -1.00 0.00 0.00 179.01 179.38 1dd4 h ILE 114 N 0.87 1.36 -0.52 3.13 2.04 -1.18 -2.50 117.51 120.70 1dd4 h ILE 114 Ca 0.47 -1.09 0.11 0.00 1.00 0.00 0.00 64.86 65.35 1dd4 h ILE 114 Cb 0.51 2.03 -0.10 0.00 -0.74 0.00 0.00 36.82 38.51 1dd4 h ILE 114 CO -0.28 0.29 -0.17 0.50 0.00 0.00 0.00 178.15 178.49 1dd4 h LYS 115 N -0.36 -0.04 -0.60 2.37 3.64 -0.17 0.39 116.57 121.79 1dd4 h LYS 115 Ca 0.01 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1dd4 h LYS 115 Cb 0.48 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1dd4 h LYS 115 CO 0.01 -0.03 0.30 -0.22 -2.27 0.00 0.00 179.45 177.24 1dd4 h LYS 116 N -0.04 0.53 -0.73 1.90 3.64 -0.58 0.45 116.57 121.75 1dd4 h LYS 116 Ca 0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1dd4 h LYS 116 Cb 0.43 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1dd4 h LYS 116 CO -0.56 0.35 0.37 0.87 -2.27 0.00 0.00 179.45 178.21 1dd4 h LYS 117 N 0.55 1.03 -0.17 1.90 1.57 -0.51 0.13 116.57 121.07 1dd4 h LYS 117 Ca 0.28 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1dd4 h LYS 117 Cb 0.23 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1dd4 h LYS 117 CO -0.21 0.78 -0.62 -0.07 -0.57 0.00 0.00 179.45 178.77 1dd4 h LEU 118 N 1.03 0.65 -0.76 2.94 3.38 -0.48 -2.99 115.31 119.09 1dd4 h LEU 118 Ca 0.25 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1dd4 h LEU 118 Cb 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1dd4 h LEU 118 CO -0.04 1.11 0.17 -0.33 0.09 0.00 0.00 178.44 179.45 1dd4 h GLU 119 N 0.42 1.12 0.00 1.13 5.08 -0.30 -0.39 114.58 121.64 1dd4 h GLU 119 Ca -0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1dd4 h GLU 119 Cb 1.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1dd4 h GLU 119 CO 0.12 0.98 0.00 0.93 -1.00 0.00 0.00 179.01 180.04 1dd4 h GLU 120 N 1.06 0.00 -0.01 2.33 5.08 -0.64 0.25 114.58 122.65 1dd4 h GLU 120 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1dd4 h GLU 120 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1dd4 h GLU 120 CO 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 177.81 1dd4 n ALA 121 N -1.90 2.97 -0.13 3.43 0.00 -0.24 -4.93 120.51 119.72 1dd4 n ALA 121 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1dd4 n ALA 121 Cb 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.31 0.93 3.90 0.00 0.00 0.86 -4.35 105.19 107.85 1dd4 n GLY 122 Ca 0.14 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 3.62 -0.22 4.61 0.00 -0.70 -3.41 121.76 123.65 1dd4 s ALA 123 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 1dd4 s ALA 123 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1dd4 s ALA 123 CO 0.00 0.23 0.13 -1.21 0.00 0.00 0.00 175.76 174.91 1dd4 s GLU 124 N -3.57 4.05 0.01 0.00 2.02 0.42 -4.05 118.70 117.57 1dd4 s GLU 124 Ca 0.44 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1dd4 s GLU 124 Cb -0.11 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1dd4 s GLU 124 CO 0.30 0.12 -0.02 0.54 0.02 0.00 0.00 175.26 176.22 1dd4 s VAL 125 N 0.86 0.15 0.09 2.63 0.11 -1.26 0.87 120.40 123.85 1dd4 s VAL 125 Ca 0.07 -0.37 0.10 0.00 -2.93 0.00 0.00 61.98 58.85 1dd4 s VAL 125 Cb -0.13 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1dd4 s VAL 125 CO 0.03 -0.14 -0.26 -0.70 -3.33 0.00 0.00 175.10 170.70 1dd4 s GLU 126 N -0.54 1.60 0.07 1.54 2.12 0.73 -4.91 118.70 119.32 1dd4 s GLU 126 Ca -0.05 -1.23 0.02 0.00 0.36 0.00 0.00 54.97 54.07 1dd4 s GLU 126 Cb -0.04 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 1dd4 s GLU 126 CO -0.00 0.48 0.11 -0.51 -0.54 0.00 0.00 175.26 174.80 1dd4 s LEU 127 N -1.71 3.95 0.00 2.70 1.43 -1.26 -0.48 118.68 123.31 1dd4 s LEU 127 Ca 0.13 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1dd4 s LEU 127 Cb -0.10 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1dd4 s LEU 127 CO 0.05 0.18 0.00 0.29 0.23 0.00 0.00 176.35 177.09