#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kde s GLN 2 N 0.00 4.04 0.12 3.17 -0.21 -1.26 -0.08 119.66 125.45 2kde s GLN 2 Ca 0.00 0.70 0.02 0.00 0.02 0.00 0.00 55.36 56.10 2kde s GLN 2 Cb 0.00 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 2kde s GLN 2 CO 0.00 -0.61 0.23 0.96 -2.12 0.00 0.00 175.29 173.75 2kde s ILE 3 N 2.90 5.20 -0.08 1.08 -4.36 -0.37 -0.53 121.20 125.03 2kde s ILE 3 Ca 0.33 -0.66 -0.01 0.00 -0.26 0.00 0.00 60.65 60.05 2kde s ILE 3 Cb -0.15 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 39.91 2kde s ILE 3 CO 0.11 -0.02 -0.01 -0.36 0.24 0.00 0.00 174.94 174.90 2kde s PHE 4 N -1.66 3.13 -0.20 1.37 0.08 -0.16 -1.02 117.98 119.53 2kde s PHE 4 Ca 0.34 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.57 2kde s PHE 4 Cb -0.12 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2kde s PHE 4 CO 0.27 0.45 -0.09 0.08 -0.10 0.00 0.00 175.22 175.84 2kde s VAL 5 N -0.88 1.55 0.72 -0.44 1.01 0.12 -0.78 120.40 121.70 2kde s VAL 5 Ca 0.13 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 2kde s VAL 5 Cb -0.11 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.64 2kde s VAL 5 CO 0.02 0.13 1.08 -0.54 0.00 0.00 0.00 175.10 175.80 2kde s LYS 6 N 1.43 2.54 0.26 2.72 -0.14 -0.11 -0.75 119.74 125.69 2kde s LYS 6 Ca -0.02 0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.84 2kde s LYS 6 Cb -0.16 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 33.93 2kde s LYS 6 CO -0.08 -1.17 0.08 0.25 -0.76 0.00 0.00 175.35 173.67 2kde n THR 7 N -3.03 0.00 0.04 2.17 -2.24 -0.09 -1.05 114.28 110.09 2kde n THR 7 Ca 0.07 -1.46 -0.09 0.00 -2.27 0.00 0.00 64.05 60.30 2kde n THR 7 Cb 0.59 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 69.19 2kde n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kde h LEU 8 N 0.00 0.08 -0.94 3.22 3.38 -1.89 -3.29 115.31 115.87 2kde h LEU 8 Ca -0.20 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2kde h LEU 8 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2kde h LEU 8 CO 0.32 1.08 -0.40 0.71 0.09 0.00 0.00 178.44 180.24 2kde h THR 9 N 0.01 0.96 0.00 0.22 1.35 -1.97 -3.46 112.91 110.03 2kde h THR 9 Ca -0.11 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2kde h THR 9 Cb 1.87 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 2kde h THR 9 CO 0.13 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2kde n GLY 10 N 0.20 1.50 3.34 5.82 0.00 -1.24 -5.13 105.19 109.68 2kde n GLY 10 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kde n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kde s LYS 11 N -0.13 2.08 -0.06 1.61 2.20 -1.26 -4.92 119.74 119.26 2kde s LYS 11 Ca 0.00 -0.95 0.05 0.00 -0.36 0.00 0.00 55.97 54.71 2kde s LYS 11 Cb 0.00 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 2kde s LYS 11 CO 0.00 0.55 -0.21 0.99 -0.36 0.00 0.00 175.35 176.33 2kde s THR 12 N -0.69 2.46 -0.02 3.43 2.01 -1.26 -0.91 115.64 120.66 2kde s THR 12 Ca 0.11 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2kde s THR 12 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2kde s THR 12 CO 0.00 0.57 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.69 2kde s ILE 13 N -0.31 2.73 -0.19 1.82 1.01 0.08 -4.87 121.20 121.47 2kde s ILE 13 Ca 0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 2kde s ILE 13 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2kde s ILE 13 CO 0.02 0.54 -0.03 -0.89 0.00 0.00 0.00 174.94 174.59 2kde s THR 14 N -0.74 3.76 -0.07 2.92 2.01 -1.26 0.15 115.64 122.42 2kde s THR 14 Ca 0.12 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2kde s THR 14 Cb -0.10 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.74 2kde s THR 14 CO 0.01 0.45 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.50 2kde s LEU 15 N 0.91 1.63 -0.33 4.42 1.43 -0.18 -4.92 118.68 121.64 2kde s LEU 15 Ca 0.00 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2kde s LEU 15 Cb -0.14 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2kde s LEU 15 CO 0.01 0.03 1.53 -0.70 0.23 0.00 0.00 176.35 177.45 2kde s GLU 16 N 0.73 3.63 0.00 1.70 2.12 -1.26 -1.24 118.70 124.38 2kde s GLU 16 Ca -0.13 1.27 0.00 0.00 0.36 0.00 0.00 54.97 56.47 2kde s GLU 16 Cb -0.16 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.19 2kde s GLU 16 CO 0.03 -1.50 0.00 1.33 -0.54 0.00 0.00 175.26 174.58 2kde n VAL 17 N 6.86 0.00 -4.16 3.70 0.24 0.89 -4.90 118.33 120.96 2kde n VAL 17 Ca 0.18 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.37 2kde n VAL 17 Cb 0.47 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.74 2kde n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kde s GLU 18 N -0.50 1.18 0.00 7.34 8.01 -1.26 -0.08 118.70 133.39 2kde s GLU 18 Ca 0.00 -1.53 0.16 0.00 0.01 0.00 0.00 54.97 53.61 2kde s GLU 18 Cb 0.00 0.29 0.71 0.00 -4.31 0.00 0.00 34.13 30.82 2kde s GLU 18 CO 0.00 -0.39 1.51 -0.35 0.01 0.00 0.00 175.26 176.03 2kde n PRO 19 N -0.25 0.05 -0.49 0.39 -0.04 -1.26 -2.38 135.00 131.03 2kde n PRO 19 Ca -0.00 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.74 2kde n PRO 19 Cb 0.65 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.89 2kde n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kde n SER 20 N -1.46 4.16 -4.79 3.54 2.88 -1.26 -1.27 113.62 115.42 2kde n SER 20 Ca 0.05 -2.58 -0.39 0.00 -1.33 0.00 0.00 58.87 54.62 2kde n SER 20 Cb 0.18 -0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 63.08 2kde n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kde s ASP 21 N -1.26 7.22 0.48 -3.46 1.11 -1.00 -4.87 116.67 114.89 2kde s ASP 21 Ca 0.42 1.46 -0.18 0.00 0.18 0.00 0.00 52.55 54.43 2kde s ASP 21 Cb 0.29 -2.43 -0.09 0.00 1.07 0.00 0.00 42.92 41.76 2kde s ASP 21 CO 0.17 0.23 0.96 0.42 1.18 0.00 0.00 175.17 178.13 2kde s THR 22 N -1.15 4.49 0.33 -1.27 -4.23 -1.26 -1.31 115.64 111.24 2kde s THR 22 Ca 0.33 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 62.14 2kde s THR 22 Cb -0.21 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 70.20 2kde s THR 22 CO 0.23 -0.54 1.97 0.40 -0.54 0.00 0.00 174.62 176.14 2kde h ILE 23 N 1.30 1.18 -0.31 2.99 1.08 -1.23 -0.80 117.51 121.72 2kde h ILE 23 Ca -0.48 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 63.56 2kde h ILE 23 Cb 1.18 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 2kde h ILE 23 CO 0.61 0.19 0.06 -0.08 -0.69 0.00 0.00 178.15 178.25 2kde h GLU 24 N 0.87 0.45 -0.44 2.37 4.81 -1.74 -0.86 114.58 120.04 2kde h GLU 24 Ca 0.23 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2kde h GLU 24 Cb -0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2kde h GLU 24 CO -0.04 0.43 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.49 2kde h ASN 25 N 0.45 0.96 -0.46 1.04 4.21 -1.45 -2.10 115.58 118.23 2kde h ASN 25 Ca 0.11 -0.38 -0.08 0.00 1.21 0.00 0.00 56.30 57.16 2kde h ASN 25 Cb 0.20 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 2kde h ASN 25 CO -0.00 1.17 -0.01 0.58 -1.29 0.00 0.00 177.43 177.87 2kde h VAL 26 N 0.79 1.26 -0.97 2.81 2.07 -0.80 -2.03 116.25 119.39 2kde h VAL 26 Ca 0.09 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2kde h VAL 26 Cb 0.84 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2kde h VAL 26 CO 0.07 0.37 0.64 0.11 0.02 0.00 0.00 177.57 178.78 2kde h LYS 27 N 0.67 1.28 -0.49 1.57 1.57 -1.06 -1.52 116.57 118.59 2kde h LYS 27 Ca 0.13 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2kde h LYS 27 Cb 0.51 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2kde h LYS 27 CO 0.03 0.85 0.01 0.00 -0.57 0.00 0.00 179.45 179.77 2kde h ALA 28 N 1.35 1.11 -0.25 3.86 0.00 -1.14 -1.35 119.26 122.86 2kde h ALA 28 Ca 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kde h ALA 28 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2kde h ALA 28 CO -0.08 0.57 0.12 0.87 0.00 0.00 0.00 179.25 180.73 2kde h LYS 29 N 0.75 0.36 -0.08 0.00 1.57 -0.57 -1.86 116.57 116.73 2kde h LYS 29 Ca 0.15 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2kde h LYS 29 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2kde h LYS 29 CO 0.02 0.36 -0.20 0.82 -0.57 0.00 0.00 179.45 179.88 2kde h ILE 30 N 0.27 1.18 0.00 1.86 2.04 -1.12 -1.75 117.51 119.99 2kde h ILE 30 Ca 0.08 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 2kde h ILE 30 Cb 0.12 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2kde h ILE 30 CO -0.01 0.25 -0.32 -0.61 0.00 0.00 0.00 178.15 177.46 2kde h GLN 31 N 0.13 0.00 0.00 2.37 4.15 -0.61 0.37 115.11 121.52 2kde h GLN 31 Ca 0.02 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.27 2kde h GLN 31 Cb 0.42 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2kde h GLN 31 CO 0.03 0.32 -0.98 -0.44 -1.93 0.00 0.00 178.83 175.83 2kde h ASP 32 N 0.00 0.00 0.00 -0.69 3.32 -0.56 -1.31 116.42 117.18 2kde h ASP 32 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2kde h ASP 32 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2kde h ASP 32 CO 0.04 0.74 -0.43 0.11 -1.72 0.00 0.00 179.24 177.99 2kde h LYS 33 N 0.00 0.00 0.16 3.56 1.79 -1.06 -3.41 116.57 117.61 2kde h LYS 33 Ca -0.07 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.09 2kde h LYS 33 Cb 1.63 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.28 2kde h LYS 33 CO 0.08 0.46 -1.56 0.93 -1.08 0.00 0.00 179.45 178.29 2kde h GLU 34 N -1.00 0.33 0.00 3.15 5.08 -1.11 -3.49 114.58 117.54 2kde h GLU 34 Ca -0.08 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 2kde h GLU 34 Cb 0.66 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kde h GLU 34 CO -0.05 1.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.64 2kde n GLY 35 N 1.80 1.03 3.77 -3.84 0.00 -0.49 -5.04 105.19 102.42 2kde n GLY 35 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2kde n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kde s ILE 36 N -2.02 3.00 0.64 -0.61 1.01 -1.26 -4.92 121.20 117.04 2kde s ILE 36 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 2kde s ILE 36 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 2kde s ILE 36 CO 0.00 0.09 1.15 -2.16 0.00 0.00 0.00 174.94 174.02 2kde s PRO 37 N -2.28 2.83 0.11 2.79 0.04 -1.26 -3.95 135.00 133.28 2kde s PRO 37 Ca 0.57 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2kde s PRO 37 Cb -0.33 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 2kde s PRO 37 CO 0.41 -1.26 1.38 -1.00 0.04 0.00 0.00 177.00 176.58 2kde h PRO 38 N 0.37 0.78 -0.11 0.56 0.13 -1.94 -2.99 132.00 128.80 2kde h PRO 38 Ca -0.48 -0.49 0.03 0.00 -0.87 0.00 0.00 66.00 64.19 2kde h PRO 38 Cb 1.27 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kde h PRO 38 CO 0.54 1.12 0.22 0.22 -0.23 0.00 0.00 178.00 179.87 2kde h ASP 39 N 0.54 0.00 -0.82 1.44 3.58 -1.96 0.93 116.42 120.13 2kde h ASP 39 Ca 0.02 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.11 2kde h ASP 39 Cb 1.07 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.91 2kde h ASP 39 CO 0.11 0.00 0.42 0.00 -2.88 0.00 0.00 179.24 176.88 2kde n GLN 40 N -3.36 2.78 -4.39 0.28 6.02 -1.13 -4.70 117.38 112.89 2kde n GLN 40 Ca 0.00 -3.06 -0.19 0.00 -0.01 0.00 0.00 57.00 53.74 2kde n GLN 40 Cb 0.32 -2.15 -0.15 0.00 1.02 0.00 0.00 30.24 29.28 2kde n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2kde s GLN 41 N -3.17 0.79 -0.05 -1.09 -0.21 0.32 -1.70 119.66 114.55 2kde s GLN 41 Ca 0.55 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.60 2kde s GLN 41 Cb 0.45 -0.76 0.02 0.00 1.00 0.00 0.00 33.01 33.73 2kde s GLN 41 CO 0.11 0.18 -0.03 0.50 -2.12 0.00 0.00 175.29 173.93 2kde s ARG 42 N -0.14 0.76 -0.38 2.91 3.52 -0.27 -4.85 118.95 120.50 2kde s ARG 42 Ca 0.02 -0.04 -0.19 0.00 -0.13 0.00 0.00 55.73 55.40 2kde s ARG 42 Cb -0.05 -0.88 0.01 0.00 -1.56 0.00 0.00 34.95 32.47 2kde s ARG 42 CO -0.00 -0.15 0.54 -0.51 -0.81 0.00 0.00 175.30 174.36 2kde s LEU 43 N 1.25 4.46 -0.12 -0.88 1.43 -1.26 -0.83 118.68 122.72 2kde s LEU 43 Ca -0.06 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2kde s LEU 43 Cb -0.14 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 2kde s LEU 43 CO -0.02 -0.57 -0.15 -0.63 0.23 0.00 0.00 176.35 175.21 2kde s ILE 44 N 2.47 2.91 -0.10 -0.59 1.09 -0.00 -0.84 121.20 126.14 2kde s ILE 44 Ca 0.19 -0.72 0.02 0.00 -1.10 0.00 0.00 60.65 59.04 2kde s ILE 44 Cb -0.15 -2.20 0.01 0.00 -1.06 0.00 0.00 42.46 39.06 2kde s ILE 44 CO 0.15 0.54 -0.15 0.12 -0.10 0.00 0.00 174.94 175.50 2kde s PHE 45 N 0.22 1.88 -1.39 3.97 2.19 -0.21 -0.87 117.98 123.77 2kde s PHE 45 Ca -0.09 -0.86 -0.08 0.00 0.33 0.00 0.00 56.93 56.22 2kde s PHE 45 Cb -0.16 -1.37 0.05 0.00 -1.31 0.00 0.00 43.02 40.24 2kde s PHE 45 CO 0.05 -0.45 0.56 0.00 1.83 0.00 0.00 175.22 177.22 2kde n ALA 46 N 4.17 -1.05 -2.31 11.12 0.00 -1.26 -2.09 120.51 129.10 2kde n ALA 46 Ca -0.19 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 2kde n ALA 46 Cb 0.51 -3.28 0.03 0.00 0.00 0.00 0.00 19.45 16.71 2kde n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kde n GLY 47 N -1.33 0.22 3.27 0.00 0.00 -1.26 -5.06 105.19 101.03 2kde n GLY 47 Ca -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2kde n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kde s LYS 48 N -4.08 0.56 0.47 1.61 1.02 -0.89 -5.15 119.74 113.28 2kde s LYS 48 Ca 0.05 1.10 -0.22 0.00 0.02 0.00 0.00 55.97 56.91 2kde s LYS 48 Cb -0.01 0.62 -0.07 0.00 -0.52 0.00 0.00 37.83 37.85 2kde s LYS 48 CO 0.23 -0.51 1.13 -0.65 -0.92 0.00 0.00 175.35 174.64 2kde s GLN 49 N 2.87 3.74 0.27 1.68 -0.21 -1.26 -1.04 119.66 125.70 2kde s GLN 49 Ca 0.14 1.68 0.04 0.00 0.02 0.00 0.00 55.36 57.24 2kde s GLN 49 Cb -0.14 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 2kde s GLN 49 CO -0.20 -0.54 0.41 -0.51 -2.12 0.00 0.00 175.29 172.32 2kde s LEU 50 N -3.15 4.24 0.00 2.90 1.43 -0.02 -4.93 118.68 119.17 2kde s LEU 50 Ca 0.65 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.78 2kde s LEU 50 Cb -0.26 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 2kde s LEU 50 CO 0.31 -0.13 0.41 -1.61 0.23 0.00 0.00 176.35 175.56 2kde s GLU 51 N -4.05 3.91 0.56 1.70 2.02 -1.26 -4.80 118.70 116.78 2kde s GLU 51 Ca 0.36 0.41 0.26 0.00 0.02 0.00 0.00 54.97 56.01 2kde s GLU 51 Cb -0.09 -3.21 1.62 0.00 0.10 0.00 0.00 34.13 32.55 2kde s GLU 51 CO 0.31 0.69 2.20 -0.44 0.02 0.00 0.00 175.26 178.03 2kde h ASP 52 N 4.66 0.00 0.28 -0.19 5.19 -1.98 -2.49 116.42 121.89 2kde h ASP 52 Ca -0.52 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.56 2kde h ASP 52 Cb 1.22 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.74 2kde h ASP 52 CO 0.62 0.03 -1.66 1.23 -3.12 0.00 0.00 179.24 176.33 2kde h GLY 53 N 0.14 0.42 -1.16 2.75 0.00 -1.97 -2.82 103.07 100.43 2kde h GLY 53 Ca -0.00 -1.07 -0.48 0.00 0.00 0.00 0.00 47.33 45.78 2kde h GLY 53 CO 0.00 0.93 0.19 0.50 0.00 0.00 0.00 176.54 178.17 2kde s ARG 54 N -2.59 0.74 0.00 4.80 1.81 -0.94 -4.69 118.95 118.08 2kde s ARG 54 Ca -0.13 1.05 0.00 0.00 -1.72 0.00 0.00 55.73 54.93 2kde s ARG 54 Cb 0.06 -1.73 0.00 0.00 -0.45 0.00 0.00 34.95 32.83 2kde s ARG 54 CO 0.86 -2.66 0.00 0.25 -0.68 0.00 0.00 175.30 173.07 2kde n THR 55 N -4.21 0.00 0.08 0.02 -2.24 -1.26 -1.20 114.28 105.48 2kde n THR 55 Ca 0.07 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 2kde n THR 55 Cb 0.54 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 2kde n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kde h LEU 56 N 0.00 0.30 -1.18 3.22 3.38 -1.30 -3.25 115.31 116.47 2kde h LEU 56 Ca 0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2kde h LEU 56 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2kde h LEU 56 CO 0.00 1.12 -0.04 -1.28 0.09 0.00 0.00 178.44 178.33 2kde h SER 57 N 0.10 0.49 -0.05 -0.43 0.87 -1.41 -1.67 113.55 111.45 2kde h SER 57 Ca -0.07 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2kde h SER 57 Cb 1.66 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2kde h SER 57 CO 0.15 0.59 0.13 0.44 -0.53 0.00 0.00 176.83 177.61 2kde h ASP 58 N 0.49 0.00 -0.28 6.23 3.32 -1.81 -0.73 116.42 123.63 2kde h ASP 58 Ca 0.10 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2kde h ASP 58 Cb 0.38 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 2kde h ASP 58 CO 0.02 0.00 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.21 2kde n TYR 59 N -3.30 0.88 -3.68 4.55 4.01 -0.86 -4.95 117.16 113.81 2kde n TYR 59 Ca -0.02 -1.45 -0.28 0.00 -0.16 0.00 0.00 57.90 55.99 2kde n TYR 59 Cb 0.21 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 38.83 2kde n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kde n ASN 60 N -1.06 -4.47 -4.49 7.72 2.85 -0.28 -4.90 115.26 110.63 2kde n ASN 60 Ca 0.29 -0.63 -0.43 0.00 -0.11 0.00 0.00 54.58 53.70 2kde n ASN 60 Cb 0.95 -3.61 -0.05 0.00 1.24 0.00 0.00 39.78 38.31 2kde n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kde s ILE 61 N -3.16 4.59 0.00 -1.44 1.01 -0.68 -5.02 121.20 116.50 2kde s ILE 61 Ca 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2kde s ILE 61 Cb -0.28 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.75 2kde s ILE 61 CO 0.69 -0.97 0.00 1.67 0.00 0.00 0.00 174.94 176.32 2kde n GLN 62 N 6.91 2.35 -1.81 2.79 7.27 -1.26 -4.50 117.38 129.13 2kde n GLN 62 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.74 2kde n GLN 62 Cb 0.47 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.15 2kde n GLN 62 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2kde s LYS 63 N 1.94 3.14 -1.31 3.69 -2.85 -1.26 -3.43 119.74 119.66 2kde s LYS 63 Ca 0.00 1.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 2kde s LYS 63 Cb 0.00 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 2kde s LYS 63 CO 0.00 -0.94 0.00 0.39 0.10 0.00 0.00 175.35 174.90 2kde n GLU 64 N -2.58 -1.82 -2.88 1.78 1.02 0.31 -4.92 120.64 111.56 2kde n GLU 64 Ca 0.08 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.55 2kde n GLU 64 Cb 0.53 -5.22 -0.05 0.00 -0.02 0.00 0.00 31.44 26.69 2kde n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kde s SER 65 N -2.09 7.30 0.30 1.62 0.01 -1.22 -4.63 113.70 114.98 2kde s SER 65 Ca 0.00 1.56 -0.17 0.00 1.31 0.00 0.00 55.95 58.65 2kde s SER 65 Cb 0.00 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 2kde s SER 65 CO 0.00 -0.06 0.74 -0.89 0.41 0.00 0.00 173.24 173.45 2kde s THR 66 N 0.18 4.62 -0.05 1.44 2.01 -1.25 -0.99 115.64 121.60 2kde s THR 66 Ca 0.43 1.09 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 2kde s THR 66 Cb -0.21 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.64 2kde s THR 66 CO 0.25 -0.06 0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 2kde s LEU 67 N -2.66 0.26 -0.14 4.42 1.43 0.04 -4.93 118.68 117.10 2kde s LEU 67 Ca 0.51 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.47 2kde s LEU 67 Cb -0.12 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 2kde s LEU 67 CO 0.18 -0.22 1.50 -1.00 0.23 0.00 0.00 176.35 177.04 2kde s HIS 68 N 1.97 2.33 -0.09 0.29 3.76 -0.05 -0.93 115.29 122.57 2kde s HIS 68 Ca 0.01 0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 2kde s HIS 68 Cb -0.12 -3.79 -0.05 0.00 1.11 0.00 0.00 32.58 29.73 2kde s HIS 68 CO -0.04 -2.84 0.40 -1.17 -0.85 0.00 0.00 174.74 170.25 2kde s LEU 69 N 4.13 4.34 0.25 0.89 2.96 -0.22 -0.82 118.68 130.20 2kde s LEU 69 Ca 0.66 0.79 0.11 0.00 -0.22 0.00 0.00 54.13 55.47 2kde s LEU 69 Cb -0.27 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 2kde s LEU 69 CO 0.24 0.14 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.51 2kde s VAL 70 N -0.01 2.38 -0.25 1.68 1.01 -0.01 -4.27 120.40 120.92 2kde s VAL 70 Ca 0.23 -2.27 -0.04 0.00 0.00 0.00 0.00 61.98 59.89 2kde s VAL 70 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2kde s VAL 70 CO 0.10 -0.33 -0.00 -0.76 0.00 0.00 0.00 175.10 174.11 2kde s LEU 71 N -3.22 3.28 0.20 3.92 1.43 -1.26 -1.12 118.68 121.90 2kde s LEU 71 Ca 0.26 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 2kde s LEU 71 Cb -0.06 -1.78 -0.08 0.00 0.03 0.00 0.00 46.19 44.30 2kde s LEU 71 CO 0.13 -0.09 0.86 -0.60 0.23 0.00 0.00 176.35 176.87 2kde s ARG 72 N 1.46 4.71 0.23 1.70 3.52 -0.69 -4.94 118.95 124.94 2kde s ARG 72 Ca 0.04 1.32 -0.11 0.00 -0.13 0.00 0.00 55.73 56.84 2kde s ARG 72 Cb -0.16 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 2kde s ARG 72 CO -0.01 0.53 0.58 -0.51 -0.81 0.00 0.00 175.30 175.08 2kde s LEU 73 N -1.11 4.19 -0.04 -0.88 1.43 -1.26 -4.65 118.68 116.36 2kde s LEU 73 Ca 0.39 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2kde s LEU 73 Cb -0.24 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.36 2kde s LEU 73 CO 0.29 -0.06 0.86 -1.14 0.23 0.00 0.00 176.35 176.54 2kde n ARG 74 N 0.01 0.14 0.00 1.70 0.63 -1.26 -5.08 116.66 112.80 2kde n ARG 74 Ca -0.00 -0.81 0.00 0.00 -0.92 0.00 0.00 57.85 56.11 2kde n ARG 74 Cb 0.52 0.48 0.00 0.00 0.45 0.00 0.00 32.46 33.91 2kde n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kde n GLY 75 N -0.16 0.82 0.00 5.14 0.00 -1.26 -5.22 105.19 104.51 2kde n GLY 75 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kde n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93