#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 3.16 0.27 2.12 -0.21 -1.26 0.96 119.66 124.69 2kde s GLN 2 Ca 0.00 -0.80 0.07 0.00 0.02 0.00 0.00 55.36 54.65 2kde s GLN 2 Cb 0.00 -4.10 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 2kde s GLN 2 CO 0.00 -1.29 0.22 0.96 -2.12 0.00 0.00 175.29 173.05 2kde s ILE 3 N 2.89 4.32 0.00 1.08 -4.36 -0.39 -0.52 121.20 124.22 2kde s ILE 3 Ca 0.18 -1.38 0.06 0.00 -0.26 0.00 0.00 60.65 59.24 2kde s ILE 3 Cb -0.18 -3.38 -0.03 0.00 1.25 0.00 0.00 42.46 40.12 2kde s ILE 3 CO 0.13 -0.32 -0.17 -0.36 0.24 0.00 0.00 174.94 174.46 2kde s PHE 4 N -2.16 2.59 -0.24 1.37 0.08 -0.20 -0.94 117.98 118.48 2kde s PHE 4 Ca 0.34 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2kde s PHE 4 Cb -0.08 -1.53 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 2kde s PHE 4 CO 0.25 0.21 -0.08 0.08 -0.10 0.00 0.00 175.22 175.58 2kde s VAL 5 N -0.84 1.79 0.61 -0.44 1.01 0.78 -0.83 120.40 122.48 2kde s VAL 5 Ca 0.13 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 2kde s VAL 5 Cb -0.10 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2kde s VAL 5 CO 0.03 -0.03 0.99 -0.75 0.00 0.00 0.00 175.10 175.34 2kde s LYS 6 N 1.28 3.47 0.40 2.72 2.20 -0.09 -0.78 119.74 128.94 2kde s LYS 6 Ca -0.06 0.59 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 2kde s LYS 6 Cb -0.19 -2.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 2kde s LYS 6 CO -0.06 -0.57 0.11 0.25 -0.36 0.00 0.00 175.35 174.72 2kde n THR 7 N -2.70 0.00 0.07 3.43 -2.24 -0.17 -1.09 114.28 111.58 2kde n THR 7 Ca 0.05 -2.24 -0.06 0.00 -2.27 0.00 0.00 64.05 59.53 2kde n THR 7 Cb 0.55 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.00 -1.36 3.22 3.38 -1.90 -3.23 115.31 115.42 2kde h LEU 8 Ca -0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2kde h LEU 8 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2kde h LEU 8 CO 0.50 0.95 -0.31 0.71 0.09 0.00 0.00 178.44 180.39 2kde h THR 9 N 0.00 1.04 0.00 0.22 1.35 -1.96 -3.46 112.91 110.10 2kde h THR 9 Ca -0.01 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2kde h THR 9 Cb 1.73 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2kde h THR 9 CO 0.12 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2kde n GLY 10 N -0.42 1.17 3.28 5.82 0.00 -1.22 -5.14 105.19 108.68 2kde n GLY 10 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.06 1.14 -0.18 1.61 2.20 -1.26 -4.94 119.74 118.24 2kde s LYS 11 Ca 0.00 -1.13 0.01 0.00 -0.36 0.00 0.00 55.97 54.49 2kde s LYS 11 Cb 0.00 -1.38 0.03 0.00 -1.51 0.00 0.00 37.83 34.97 2kde s LYS 11 CO 0.00 0.32 -0.14 0.99 -0.36 0.00 0.00 175.35 176.16 2kde s THR 12 N -1.12 1.75 0.12 3.43 2.01 -1.26 -1.00 115.64 119.57 2kde s THR 12 Ca 0.06 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 2kde s THR 12 Cb -0.10 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.65 2kde s THR 12 CO 0.04 0.36 0.47 -0.63 -0.69 0.00 0.00 174.62 174.16 2kde s ILE 13 N 1.39 4.99 -0.23 1.82 1.01 0.04 -4.81 121.20 125.41 2kde s ILE 13 Ca 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.18 2kde s ILE 13 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2kde s ILE 13 CO -0.10 0.22 0.03 -0.89 0.00 0.00 0.00 174.94 174.20 2kde s THR 14 N -1.48 3.99 -0.12 2.92 2.01 -1.26 -0.16 115.64 121.54 2kde s THR 14 Ca 0.37 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.09 2kde s THR 14 Cb -0.14 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.55 2kde s THR 14 CO 0.19 0.38 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.61 2kde s LEU 15 N 1.44 1.59 -0.70 4.42 1.43 -0.12 -4.96 118.68 121.79 2kde s LEU 15 Ca 0.05 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 2kde s LEU 15 Cb -0.15 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.07 2kde s LEU 15 CO 0.01 -0.04 1.08 -0.70 0.23 0.00 0.00 176.35 176.93 2kde s GLU 16 N 1.32 3.15 0.00 1.70 -6.30 -1.26 -1.26 118.70 116.05 2kde s GLU 16 Ca 0.00 -0.66 0.00 0.00 -2.50 0.00 0.00 54.97 51.81 2kde s GLU 16 Cb -0.14 -4.25 0.00 0.00 0.00 0.00 0.00 34.13 29.75 2kde s GLU 16 CO -0.06 -1.93 0.00 1.33 0.02 0.00 0.00 175.26 174.61 2kde n VAL 17 N 6.08 0.00 -4.33 3.70 0.24 0.27 -4.74 118.33 119.55 2kde n VAL 17 Ca -0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 2kde n VAL 17 Cb 0.47 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.24 1.33 0.00 7.34 2.02 -1.26 0.99 118.70 129.36 2kde s GLU 18 Ca 0.00 -1.68 0.17 0.00 0.02 0.00 0.00 54.97 53.48 2kde s GLU 18 Cb 0.00 -0.58 0.79 0.00 0.10 0.00 0.00 34.13 34.45 2kde s GLU 18 CO 0.00 -0.11 1.52 -0.35 0.02 0.00 0.00 175.26 176.33 2kde n PRO 19 N -0.41 0.14 -0.43 0.39 -0.04 -1.26 -2.49 135.00 130.89 2kde n PRO 19 Ca -0.05 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 2kde n PRO 19 Cb 0.64 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.38 3.89 -4.82 3.54 2.88 -1.26 -1.21 113.62 115.26 2kde n SER 20 Ca 0.06 -2.72 -0.37 0.00 -1.33 0.00 0.00 58.87 54.51 2kde n SER 20 Cb 0.16 -0.48 -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 -1.53 7.03 0.48 -3.46 1.01 -1.04 -4.86 116.67 114.30 2kde s ASP 21 Ca 0.39 1.30 -0.19 0.00 0.71 0.00 0.00 52.55 54.76 2kde s ASP 21 Cb 0.29 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.76 2kde s ASP 21 CO 0.12 0.16 0.98 0.42 0.21 0.00 0.00 175.17 177.06 2kde s THR 22 N -1.32 4.36 0.33 -1.27 -4.23 -1.26 -1.35 115.64 110.90 2kde s THR 22 Ca 0.36 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 62.18 2kde s THR 22 Cb -0.18 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.30 2kde s THR 22 CO 0.20 -0.48 2.00 0.40 -0.54 0.00 0.00 174.62 176.20 2kde h ILE 23 N 1.36 1.18 -0.36 2.99 1.08 -1.21 -0.70 117.51 121.85 2kde h ILE 23 Ca -0.48 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 2kde h ILE 23 Cb 1.19 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2kde h ILE 23 CO 0.61 0.17 0.11 -0.08 -0.69 0.00 0.00 178.15 178.28 2kde h GLU 24 N 0.94 0.52 -0.46 2.37 4.81 -1.78 -0.82 114.58 120.16 2kde h GLU 24 Ca 0.25 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 2kde h GLU 24 Cb -0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2kde h GLU 24 CO -0.05 0.46 -0.23 -0.97 -0.73 0.00 0.00 179.01 177.49 2kde h ASN 25 N 0.52 1.01 -0.46 1.04 -0.73 -1.44 -2.14 115.58 113.37 2kde h ASN 25 Ca 0.13 -0.40 -0.06 0.00 1.87 0.00 0.00 56.30 57.83 2kde h ASN 25 Cb 0.16 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 2kde h ASN 25 CO -0.01 1.19 0.07 0.58 -0.37 0.00 0.00 177.43 178.89 2kde h VAL 26 N 0.82 1.25 -0.97 2.57 2.07 -0.79 -1.99 116.25 119.21 2kde h VAL 26 Ca 0.10 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.74 2kde h VAL 26 Cb 0.81 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2kde h VAL 26 CO 0.07 0.32 0.64 0.11 0.02 0.00 0.00 177.57 178.73 2kde h LYS 27 N 0.64 1.22 -0.48 1.57 1.57 -1.05 -1.18 116.57 118.86 2kde h LYS 27 Ca 0.14 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2kde h LYS 27 Cb 0.39 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kde h LYS 27 CO 0.01 0.81 0.02 0.00 -0.57 0.00 0.00 179.45 179.72 2kde h ALA 28 N 1.38 1.14 -0.28 3.86 0.00 -1.09 -1.29 119.26 122.98 2kde h ALA 28 Ca 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kde h ALA 28 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2kde h ALA 28 CO -0.11 0.56 0.14 0.87 0.00 0.00 0.00 179.25 180.71 2kde h LYS 29 N 0.74 0.40 -0.29 0.00 1.57 -0.49 -1.94 116.57 116.57 2kde h LYS 29 Ca 0.15 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2kde h LYS 29 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2kde h LYS 29 CO 0.02 0.38 -0.11 0.82 -0.57 0.00 0.00 179.45 179.98 2kde h ILE 30 N 0.33 1.22 -0.04 1.86 2.04 -1.09 -2.02 117.51 119.81 2kde h ILE 30 Ca 0.10 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2kde h ILE 30 Cb 0.10 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2kde h ILE 30 CO -0.01 0.32 -0.16 -0.61 0.00 0.00 0.00 178.15 177.69 2kde h GLN 31 N 0.45 0.06 0.00 2.37 4.15 -0.72 0.44 115.11 121.86 2kde h GLN 31 Ca 0.08 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.32 2kde h GLN 31 Cb 0.47 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2kde h GLN 31 CO 0.03 0.23 -0.89 0.22 -1.93 0.00 0.00 178.83 176.48 2kde h ASP 32 N 0.06 0.00 0.00 -0.69 1.82 -0.68 -1.66 116.42 115.26 2kde h ASP 32 Ca 0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 2kde h ASP 32 Cb 0.33 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 2kde h ASP 32 CO 0.02 0.77 -0.18 0.11 -1.61 0.00 0.00 179.24 178.35 2kde h LYS 33 N 0.00 0.00 0.00 0.28 1.57 -0.79 -3.42 116.57 114.21 2kde h LYS 33 Ca -0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2kde h LYS 33 Cb 1.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2kde h LYS 33 CO 0.09 0.73 -0.99 0.39 -0.57 0.00 0.00 179.45 179.10 2kde n GLU 34 N -4.63 0.51 0.00 3.15 -0.58 0.09 -5.03 120.64 114.14 2kde n GLU 34 Ca -0.10 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2kde n GLU 34 Cb 0.39 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2kde n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kde n GLY 35 N 1.51 0.63 3.77 0.62 0.00 -0.62 -5.03 105.19 106.05 2kde n GLY 35 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.09 2.84 0.54 -0.61 1.01 -1.26 -4.94 121.20 117.69 2kde s ILE 36 Ca 0.00 0.72 -0.20 0.00 0.00 0.00 0.00 60.65 61.16 2kde s ILE 36 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 2kde s ILE 36 CO 0.00 0.07 1.19 -2.16 0.00 0.00 0.00 174.94 174.05 2kde s PRO 37 N -2.35 3.32 0.20 2.79 0.04 -1.26 -4.17 135.00 133.56 2kde s PRO 37 Ca 0.58 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.42 2kde s PRO 37 Cb -0.34 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.20 2kde s PRO 37 CO 0.43 -0.93 1.49 -1.00 0.04 0.00 0.00 177.00 177.04 2kde h PRO 38 N 1.37 0.45 -0.06 0.56 0.13 -1.92 -2.39 132.00 130.14 2kde h PRO 38 Ca -0.50 -0.31 0.02 0.00 -0.87 0.00 0.00 66.00 64.34 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 0.57 0.92 0.06 -0.44 -0.23 0.00 0.00 178.00 178.88 2kde h ASP 39 N 0.33 0.00 0.34 1.44 3.32 -1.97 -1.95 116.42 117.94 2kde h ASP 39 Ca -0.01 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.76 2kde h ASP 39 Cb 1.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 2kde h ASP 39 CO 0.11 0.00 -1.90 0.00 -1.72 0.00 0.00 179.24 175.73 2kde n GLN 40 N -3.99 0.65 -2.14 3.56 6.02 -1.13 -4.78 117.38 115.57 2kde n GLN 40 Ca -0.02 0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 2kde n GLN 40 Cb 0.15 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 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 -2.67 4.34 -0.07 -1.09 -0.21 -0.73 -0.42 119.66 118.82 2kde s GLN 41 Ca -0.06 2.15 0.01 0.00 0.02 0.00 0.00 55.36 57.47 2kde s GLN 41 Cb 0.08 -3.16 0.02 0.00 1.00 0.00 0.00 33.01 30.94 2kde s GLN 41 CO 0.83 -0.32 -0.08 1.03 -2.12 0.00 0.00 175.29 174.64 2kde s ARG 42 N -0.20 1.28 -0.35 2.91 0.52 -0.24 -4.92 118.95 117.96 2kde s ARG 42 Ca 0.58 -0.23 -0.15 0.00 -0.52 0.00 0.00 55.73 55.40 2kde s ARG 42 Cb -0.39 -1.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.85 2kde s ARG 42 CO 0.40 -0.10 0.36 -0.51 0.02 0.00 0.00 175.30 175.47 2kde s LEU 43 N 1.09 4.51 -0.15 2.53 1.43 -1.26 -0.88 118.68 125.95 2kde s LEU 43 Ca -0.07 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2kde s LEU 43 Cb -0.14 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2kde s LEU 43 CO -0.01 -0.36 -0.20 -0.63 0.23 0.00 0.00 176.35 175.38 2kde s ILE 44 N 2.00 1.99 -0.13 -0.59 1.09 -0.04 -0.82 121.20 124.69 2kde s ILE 44 Ca 0.11 -0.92 -0.00 0.00 -1.10 0.00 0.00 60.65 58.74 2kde s ILE 44 Cb -0.17 -1.79 -0.01 0.00 -1.06 0.00 0.00 42.46 39.43 2kde s ILE 44 CO 0.12 0.53 -0.13 0.12 -0.10 0.00 0.00 174.94 175.48 2kde s PHE 45 N 1.06 2.81 -1.27 3.97 5.36 -0.23 -0.90 117.98 128.78 2kde s PHE 45 Ca -0.01 -0.66 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 2kde s PHE 45 Cb -0.14 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 2kde s PHE 45 CO -0.07 -0.22 0.00 0.00 -1.46 0.00 0.00 175.22 173.47 2kde n ALA 46 N 3.54 -0.59 -1.79 11.12 0.00 -1.26 -1.84 120.51 129.70 2kde n ALA 46 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kde n ALA 46 Cb 0.53 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.67 0.51 3.44 0.00 0.00 -1.26 -5.08 105.19 102.13 2kde n GLY 47 Ca -0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.54 0.54 0.47 1.61 1.02 -0.77 -5.14 119.74 113.95 2kde s LYS 48 Ca 0.00 1.25 -0.23 0.00 0.02 0.00 0.00 55.97 57.02 2kde s LYS 48 Cb 0.00 0.68 -0.07 0.00 -0.52 0.00 0.00 37.83 37.92 2kde s LYS 48 CO 0.00 -0.34 1.20 -1.14 -0.92 0.00 0.00 175.35 174.15 2kde s GLN 49 N 2.84 3.65 -0.15 1.68 0.74 -1.26 -1.06 119.66 126.10 2kde s GLN 49 Ca 0.02 1.85 -0.07 0.00 0.05 0.00 0.00 55.36 57.22 2kde s GLN 49 Cb -0.13 -2.38 -0.04 0.00 1.10 0.00 0.00 33.01 31.56 2kde s GLN 49 CO -0.19 -0.66 0.10 -0.51 -0.55 0.00 0.00 175.29 173.48 2kde s LEU 50 N -3.11 4.07 0.72 3.68 1.43 -0.00 -4.91 118.68 120.55 2kde s LEU 50 Ca 0.65 0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.87 2kde s LEU 50 Cb -0.31 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2kde s LEU 50 CO 0.37 0.30 1.18 -1.61 0.23 0.00 0.00 176.35 176.82 2kde s GLU 51 N -0.38 2.23 0.28 1.70 0.41 -1.26 -4.79 118.70 116.89 2kde s GLU 51 Ca 0.10 1.66 0.15 0.00 -0.41 0.00 0.00 54.97 56.47 2kde s GLU 51 Cb -0.12 -1.86 0.19 0.00 -1.78 0.00 0.00 34.13 30.57 2kde s GLU 51 CO 0.02 -1.74 1.50 -0.44 -0.49 0.00 0.00 175.26 174.10 2kde h ASP 52 N -0.32 0.00 0.83 -0.19 3.32 -1.98 -3.24 116.42 114.85 2kde h ASP 52 Ca -0.47 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.34 2kde h ASP 52 Cb 1.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 2kde h ASP 52 CO 0.50 0.53 -1.24 1.23 -1.72 0.00 0.00 179.24 178.55 2kde h GLY 53 N 3.05 0.00 -1.17 2.75 0.00 -1.97 -3.01 103.07 102.72 2kde h GLY 53 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2kde h GLY 53 CO 0.07 0.00 0.30 0.50 0.00 0.00 0.00 176.54 177.41 2kde s ARG 54 N -2.68 1.91 0.00 4.80 1.81 -1.22 -4.76 118.95 118.80 2kde s ARG 54 Ca -0.01 0.88 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 2kde s ARG 54 Cb 0.09 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 2kde s ARG 54 CO 0.82 -1.80 0.00 0.25 -0.68 0.00 0.00 175.30 173.89 2kde n THR 55 N -3.59 0.00 0.01 0.02 -2.24 -1.26 -1.15 114.28 106.07 2kde n THR 55 Ca 0.08 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.67 2kde n THR 55 Cb 0.55 -0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.72 -1.61 3.22 3.38 -1.32 -3.24 115.31 116.46 2kde h LEU 56 Ca 0.00 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 2kde h LEU 56 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2kde h LEU 56 CO 0.00 1.35 0.02 0.77 0.09 0.00 0.00 178.44 180.67 2kde h SER 57 N 0.17 0.24 -0.08 -0.43 4.64 -1.38 -1.74 113.55 114.97 2kde h SER 57 Ca -0.09 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2kde h SER 57 Cb 1.44 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2kde h SER 57 CO 0.15 0.27 0.10 0.44 -0.87 0.00 0.00 176.83 176.92 2kde h ASP 58 N 0.27 0.00 -0.50 4.97 3.32 -1.80 -0.95 116.42 121.73 2kde h ASP 58 Ca 0.06 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.86 2kde h ASP 58 Cb 0.15 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.55 2kde h ASP 58 CO 0.00 0.00 0.09 -1.22 -1.72 0.00 0.00 179.24 176.39 2kde n TYR 59 N -3.71 1.55 -1.97 4.55 4.01 -0.71 -4.92 117.16 115.96 2kde n TYR 59 Ca -0.01 -1.66 -0.13 0.00 -0.16 0.00 0.00 57.90 55.94 2kde n TYR 59 Cb 0.19 -0.60 -0.03 0.00 -0.31 0.00 0.00 39.34 38.60 2kde n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2kde n ASN 60 N -1.12 -3.73 -4.68 7.72 3.02 -0.36 -4.89 115.26 111.23 2kde n ASN 60 Ca 0.39 0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 54.76 2kde n ASN 60 Cb 1.19 -3.30 -0.02 0.00 -0.61 0.00 0.00 39.78 37.03 2kde n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kde s ILE 61 N -2.40 4.26 0.00 2.41 1.01 -0.87 -5.01 121.20 120.61 2kde s ILE 61 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2kde s ILE 61 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2kde s ILE 61 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 174.94 174.89 2kde n GLN 62 N 5.75 2.30 -1.54 2.79 6.02 -1.26 -4.45 117.38 126.99 2kde n GLN 62 Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.80 2kde n GLN 62 Cb 0.46 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.78 2kde n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kde s LYS 63 N -0.39 2.70 -1.30 -1.09 -2.85 -1.26 -3.52 119.74 112.02 2kde s LYS 63 Ca 0.00 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 2kde s LYS 63 Cb 0.00 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 2kde s LYS 63 CO 0.00 -1.26 0.00 0.39 0.10 0.00 0.00 175.35 174.58 2kde n GLU 64 N -3.23 -1.83 -3.02 1.78 1.02 0.32 -4.92 120.64 110.76 2kde n GLU 64 Ca 0.07 0.73 -0.40 0.00 -0.02 0.00 0.00 57.16 57.55 2kde n GLU 64 Cb 0.54 -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 7.16 -0.37 1.62 0.01 -1.23 -4.69 113.70 114.11 2kde s SER 65 Ca 0.00 1.39 -0.18 0.00 1.31 0.00 0.00 55.95 58.47 2kde s SER 65 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2kde s SER 65 CO 0.00 0.03 0.50 -0.89 0.41 0.00 0.00 173.24 173.28 2kde s THR 66 N -0.05 5.02 -0.16 1.44 2.01 -1.25 -1.04 115.64 121.61 2kde s THR 66 Ca 0.37 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 2kde s THR 66 Cb -0.20 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2kde s THR 66 CO 0.22 -0.29 0.13 -0.76 -0.69 0.00 0.00 174.62 173.22 2kde s LEU 67 N 2.36 4.24 -0.37 4.42 1.43 -0.01 -4.84 118.68 125.91 2kde s LEU 67 Ca 0.17 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.30 2kde s LEU 67 Cb -0.16 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2kde s LEU 67 CO 0.14 0.28 1.10 -1.00 0.23 0.00 0.00 176.35 177.10 2kde s HIS 68 N -0.23 3.04 -0.08 0.29 3.76 -0.08 -0.91 115.29 121.08 2kde s HIS 68 Ca 0.11 1.05 -0.18 0.00 -0.15 0.00 0.00 55.06 55.89 2kde s HIS 68 Cb -0.11 -3.92 -0.05 0.00 1.11 0.00 0.00 32.58 29.61 2kde s HIS 68 CO 0.01 -0.93 0.48 -1.17 -0.85 0.00 0.00 174.74 172.27 2kde s LEU 69 N 3.91 4.33 0.27 0.89 2.96 -0.25 -0.86 118.68 129.93 2kde s LEU 69 Ca 0.46 0.88 0.11 0.00 -0.22 0.00 0.00 54.13 55.37 2kde s LEU 69 Cb -0.11 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 2kde s LEU 69 CO 0.20 0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.44 2kde s VAL 70 N 0.21 2.33 -0.28 1.68 1.01 -0.05 -4.22 120.40 121.07 2kde s VAL 70 Ca 0.26 -2.36 -0.01 0.00 0.00 0.00 0.00 61.98 59.87 2kde s VAL 70 Cb -0.16 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2kde s VAL 70 CO 0.12 -0.42 -0.03 -0.76 0.00 0.00 0.00 175.10 174.00 2kde s LEU 71 N -3.48 3.66 1.15 3.92 1.43 -1.26 -1.08 118.68 123.03 2kde s LEU 71 Ca 0.29 -1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 2kde s LEU 71 Cb -0.04 -1.67 0.26 0.00 0.03 0.00 0.00 46.19 44.78 2kde s LEU 71 CO 0.14 -0.22 1.15 -0.60 0.23 0.00 0.00 176.35 177.04 2kde s ARG 72 N 1.24 -0.80 0.25 1.70 3.52 0.45 -5.01 118.95 120.30 2kde s ARG 72 Ca -0.05 -0.10 0.09 0.00 -0.13 0.00 0.00 55.73 55.55 2kde s ARG 72 Cb -0.19 -1.65 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 2kde s ARG 72 CO -0.02 -3.42 0.00 -0.51 -0.81 0.00 0.00 175.30 170.53 2kde s LEU 73 N -6.72 3.23 -0.37 -0.88 1.02 -1.26 -4.90 118.68 108.79 2kde s LEU 73 Ca 0.71 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 54.27 2kde s LEU 73 Cb -0.09 -1.77 0.14 0.00 0.02 0.00 0.00 46.19 44.49 2kde s LEU 73 CO 0.55 0.01 0.21 -0.13 0.02 0.00 0.00 176.35 177.02 2kde s ARG 74 N -3.57 0.72 0.00 1.70 1.81 -1.26 -4.95 118.95 113.40 2kde s ARG 74 Ca 0.31 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 2kde s ARG 74 Cb -0.07 -1.55 0.00 0.00 -0.45 0.00 0.00 34.95 32.88 2kde s ARG 74 CO 0.20 -1.19 0.00 0.41 -0.68 0.00 0.00 175.30 174.03 2kde n GLY 75 N 3.95 2.38 0.00 -3.53 0.00 -1.26 -5.28 105.19 101.45 2kde n GLY 75 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2kde n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93