#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 2.19 0.22 2.12 -0.21 -1.26 -0.66 119.66 122.06 2kde s GLN 2 Ca 0.00 -1.39 0.07 0.00 0.02 0.00 0.00 55.36 54.06 2kde s GLN 2 Cb 0.00 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 2kde s GLN 2 CO 0.00 -0.61 0.11 0.96 -2.12 0.00 0.00 175.29 173.63 2kde s ILE 3 N 1.10 4.15 -0.30 1.08 -4.36 -0.42 -0.50 121.20 121.95 2kde s ILE 3 Ca -0.07 -1.41 -0.05 0.00 -0.26 0.00 0.00 60.65 58.86 2kde s ILE 3 Cb -0.20 -3.18 0.03 0.00 1.25 0.00 0.00 42.46 40.36 2kde s ILE 3 CO -0.05 -0.25 0.04 -0.36 0.24 0.00 0.00 174.94 174.57 2kde s PHE 4 N -1.99 3.20 -0.44 1.37 0.08 -0.19 -0.92 117.98 119.09 2kde s PHE 4 Ca 0.31 -1.45 -0.17 0.00 0.12 0.00 0.00 56.93 55.74 2kde s PHE 4 Cb -0.08 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2kde s PHE 4 CO 0.22 -0.71 0.46 0.08 -0.10 0.00 0.00 175.22 175.17 2kde s VAL 5 N 1.38 5.07 0.48 -0.44 1.01 0.27 -0.79 120.40 127.38 2kde s VAL 5 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2kde s VAL 5 Cb -0.18 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2kde s VAL 5 CO 0.01 -0.50 0.83 -0.54 0.00 0.00 0.00 175.10 174.89 2kde s LYS 6 N 2.15 3.65 0.00 2.72 1.02 -0.13 -0.74 119.74 128.41 2kde s LYS 6 Ca 0.11 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.52 2kde s LYS 6 Cb -0.18 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2kde s LYS 6 CO 0.12 -0.21 0.00 0.25 -0.92 0.00 0.00 175.35 174.59 2kde n THR 7 N -1.99 0.00 -1.20 2.17 -2.24 -0.11 -1.08 114.28 109.84 2kde n THR 7 Ca 0.02 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 2kde n THR 7 Cb 0.54 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.98 2kde n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kde n LEU 8 N 0.00 6.60 -1.23 3.22 4.77 -1.26 -4.25 117.00 124.84 2kde n LEU 8 Ca 0.00 -3.54 0.03 0.00 -0.03 0.00 0.00 56.01 52.47 2kde n LEU 8 Cb 0.00 -0.82 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 2kde n LEU 8 CO 0.00 1.01 0.12 0.35 -1.33 0.00 0.00 177.39 177.54 2kde n THR 9 N -0.96 0.12 -2.63 -5.08 -2.24 -1.26 -4.97 114.28 97.26 2kde n THR 9 Ca 0.56 -0.91 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2kde n THR 9 Cb 1.62 0.83 0.01 0.00 -2.10 0.00 0.00 70.33 70.68 2kde n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kde n GLY 10 N 0.30 -0.39 3.12 3.38 0.00 -1.26 -4.99 105.19 105.35 2kde n GLY 10 Ca 0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.24 2.25 0.16 1.61 2.20 -1.26 -5.00 119.74 114.46 2kde s LYS 11 Ca 0.13 -0.63 0.11 0.00 -0.36 0.00 0.00 55.97 55.22 2kde s LYS 11 Cb -0.06 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 2kde s LYS 11 CO 0.16 0.12 -0.24 0.99 -0.36 0.00 0.00 175.35 176.03 2kde s THR 12 N 0.43 2.42 0.04 3.43 2.01 -1.26 -0.93 115.64 121.78 2kde s THR 12 Ca -0.15 -1.86 0.08 0.00 0.31 0.00 0.00 61.69 60.07 2kde s THR 12 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2kde s THR 12 CO 0.06 -0.02 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.10 2kde s ILE 13 N -1.41 1.88 -0.85 1.82 1.01 0.09 -4.90 121.20 118.84 2kde s ILE 13 Ca 0.18 -1.27 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 2kde s ILE 13 Cb -0.09 -1.62 0.20 0.00 0.01 0.00 0.00 42.46 40.96 2kde s ILE 13 CO 0.09 0.29 0.84 -0.89 0.00 0.00 0.00 174.94 175.27 2kde s THR 14 N -0.79 5.44 -0.35 2.92 2.01 -1.26 -0.56 115.64 123.05 2kde s THR 14 Ca 0.09 -2.30 -0.26 0.00 0.31 0.00 0.00 61.69 59.54 2kde s THR 14 Cb -0.09 -4.53 0.01 0.00 0.01 0.00 0.00 72.50 67.90 2kde s THR 14 CO 0.02 -1.12 0.93 -0.76 -0.69 0.00 0.00 174.62 172.99 2kde s LEU 15 N 0.66 4.00 -1.26 4.42 2.01 -0.09 -4.86 118.68 123.56 2kde s LEU 15 Ca 0.21 0.70 -0.15 0.00 0.01 0.00 0.00 54.13 54.89 2kde s LEU 15 Cb -0.09 -3.29 0.13 0.00 0.01 0.00 0.00 46.19 42.95 2kde s LEU 15 CO -0.09 -0.82 1.60 1.21 1.01 0.00 0.00 176.35 179.26 2kde n GLU 16 N 6.68 3.29 -0.25 1.70 2.13 -1.26 -1.30 120.64 131.64 2kde n GLU 16 Ca 0.07 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.32 2kde n GLU 16 Cb 0.48 -3.23 0.00 0.00 0.27 0.00 0.00 31.44 28.95 2kde n GLU 16 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2kde n VAL 17 N 5.32 0.00 -4.28 6.31 0.24 0.17 -4.74 118.33 121.35 2kde n VAL 17 Ca 0.42 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.58 2kde n VAL 17 Cb 0.44 -0.59 -0.10 0.00 -1.47 0.00 0.00 33.84 32.11 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 1.44 1.29 0.00 7.34 2.02 -1.26 0.10 118.70 129.63 2kde s GLU 18 Ca 0.00 -1.68 0.19 0.00 0.02 0.00 0.00 54.97 53.50 2kde s GLU 18 Cb 0.00 -0.17 0.95 0.00 0.10 0.00 0.00 34.13 35.01 2kde s GLU 18 CO 0.00 -0.27 1.59 -0.35 0.02 0.00 0.00 175.26 176.25 2kde n PRO 19 N -0.37 0.24 -0.51 0.39 -0.04 -1.26 -2.77 135.00 130.68 2kde n PRO 19 Ca -0.01 0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 2kde n PRO 19 Cb 0.65 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.84 2kde n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kde n SER 20 N -1.31 3.19 -4.86 3.54 3.41 -1.26 -1.27 113.62 115.06 2kde n SER 20 Ca 0.09 -3.29 -0.35 0.00 -0.26 0.00 0.00 58.87 55.05 2kde n SER 20 Cb 0.16 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 2kde n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2kde s ASP 21 N -2.28 6.68 0.46 4.04 1.01 -1.11 -4.88 116.67 120.60 2kde s ASP 21 Ca 0.42 0.84 -0.19 0.00 0.71 0.00 0.00 52.55 54.32 2kde s ASP 21 Cb 0.35 -2.20 -0.10 0.00 1.01 0.00 0.00 42.92 41.99 2kde s ASP 21 CO 0.05 0.20 0.97 0.42 0.21 0.00 0.00 175.17 177.02 2kde s THR 22 N -1.34 4.37 0.35 -1.27 -4.23 -1.26 -1.32 115.64 110.93 2kde s THR 22 Ca 0.32 1.36 0.02 0.00 -1.18 0.00 0.00 61.69 62.21 2kde s THR 22 Cb -0.14 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.33 2kde s THR 22 CO 0.17 -0.43 1.99 0.40 -0.54 0.00 0.00 174.62 176.21 2kde h ILE 23 N 1.54 1.17 -0.27 2.99 1.08 -1.24 -0.66 117.51 122.12 2kde h ILE 23 Ca -0.48 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 2kde h ILE 23 Cb 1.19 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2kde h ILE 23 CO 0.61 0.17 0.00 -0.08 -0.69 0.00 0.00 178.15 178.16 2kde h GLU 24 N 0.83 0.40 -0.40 2.37 4.81 -1.78 -0.81 114.58 120.00 2kde h GLU 24 Ca 0.22 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 2kde h GLU 24 Cb -0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2kde h GLU 24 CO -0.04 0.42 -0.30 -0.97 -0.73 0.00 0.00 179.01 177.39 2kde h ASN 25 N 0.39 0.96 -0.35 1.04 -0.73 -1.44 -2.11 115.58 113.33 2kde h ASN 25 Ca 0.09 -0.44 -0.05 0.00 1.87 0.00 0.00 56.30 57.76 2kde h ASN 25 Cb 0.26 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2kde h ASN 25 CO 0.01 1.20 0.02 0.58 -0.37 0.00 0.00 177.43 178.86 2kde h VAL 26 N 0.73 1.25 -0.74 2.57 2.07 -0.84 -2.00 116.25 119.29 2kde h VAL 26 Ca 0.08 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2kde h VAL 26 Cb 0.89 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2kde h VAL 26 CO 0.08 0.31 0.49 0.11 0.02 0.00 0.00 177.57 178.58 2kde h LYS 27 N 0.43 0.91 -0.43 1.57 1.57 -1.10 -1.34 116.57 118.18 2kde h LYS 27 Ca 0.10 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2kde h LYS 27 Cb 0.43 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2kde h LYS 27 CO 0.01 0.60 -0.19 0.00 -0.57 0.00 0.00 179.45 179.31 2kde h ALA 28 N 1.56 0.85 -0.29 3.86 0.00 -1.09 -1.27 119.26 122.87 2kde h ALA 28 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kde h ALA 28 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kde h ALA 28 CO -0.07 0.64 0.14 0.87 0.00 0.00 0.00 179.25 180.82 2kde h LYS 29 N 0.75 0.42 -0.01 0.00 1.57 -0.52 -1.92 116.57 116.84 2kde h LYS 29 Ca 0.11 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2kde h LYS 29 Cb 0.72 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2kde h LYS 29 CO 0.06 0.40 -0.35 0.82 -0.57 0.00 0.00 179.45 179.81 2kde h ILE 30 N 0.33 1.26 0.00 1.86 2.04 -1.23 -2.15 117.51 119.62 2kde h ILE 30 Ca 0.10 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 2kde h ILE 30 Cb 0.12 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2kde h ILE 30 CO -0.01 0.35 -0.37 -0.61 0.00 0.00 0.00 178.15 177.51 2kde h GLN 31 N 0.03 0.00 0.00 2.37 4.15 -0.68 0.05 115.11 121.03 2kde h GLN 31 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2kde h GLN 31 Cb 0.64 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 2kde h GLN 31 CO 0.05 0.37 -1.16 0.22 -1.93 0.00 0.00 178.83 176.37 2kde h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -0.86 -2.45 116.42 116.00 2kde h ASP 32 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2kde h ASP 32 Cb 0.69 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 2kde h ASP 32 CO 0.05 0.72 -0.39 0.11 -2.88 0.00 0.00 179.24 176.85 2kde h LYS 33 N 0.00 0.00 0.04 0.28 1.79 -1.18 -3.41 116.57 114.08 2kde h LYS 33 Ca -0.12 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 2kde h LYS 33 Cb 1.65 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.31 2kde h LYS 33 CO 0.07 0.28 -0.24 0.93 -1.08 0.00 0.00 179.45 179.42 2kde h GLU 34 N -1.00 0.09 0.00 3.15 4.39 -1.19 -3.49 114.58 116.54 2kde h GLU 34 Ca -0.05 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2kde h GLU 34 Cb 0.52 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2kde h GLU 34 CO -0.03 1.05 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 2kde n GLY 35 N 1.54 1.96 3.69 -3.84 0.00 -0.92 -5.05 105.19 102.58 2kde n GLY 35 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 4.23 0.48 -0.61 1.01 -1.24 -5.02 121.20 118.06 2kde s ILE 36 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 2kde s ILE 36 Cb 0.00 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.51 2kde s ILE 36 CO 0.00 0.38 1.24 -2.16 0.00 0.00 0.00 174.94 174.40 2kde s PRO 37 N -1.56 3.56 0.26 2.79 0.04 -1.26 -4.10 135.00 134.72 2kde s PRO 37 Ca 0.20 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.27 2kde s PRO 37 Cb -0.12 -2.39 0.31 0.00 0.04 0.00 0.00 34.50 32.35 2kde s PRO 37 CO 0.10 -0.77 1.60 -1.00 0.04 0.00 0.00 177.00 176.97 2kde h PRO 38 N 1.90 0.19 -0.00 0.56 0.13 -1.92 -2.24 132.00 130.61 2kde h PRO 38 Ca -0.50 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2kde h PRO 38 Cb 1.27 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kde h PRO 38 CO 0.59 0.71 0.00 -0.44 -0.23 0.00 0.00 178.00 178.63 2kde h ASP 39 N 0.14 0.00 0.36 1.44 5.19 -1.97 -2.18 116.42 119.40 2kde h ASP 39 Ca -0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.09 2kde h ASP 39 Cb 1.05 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.50 2kde h ASP 39 CO 0.09 0.00 -1.89 0.00 -3.12 0.00 0.00 179.24 174.32 2kde n GLN 40 N -4.26 0.65 -1.86 3.56 6.02 -1.10 -4.78 117.38 115.60 2kde n GLN 40 Ca -0.03 0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 2kde n GLN 40 Cb 0.09 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.60 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 -2.57 4.18 -0.12 -1.09 -0.21 -0.82 -0.51 119.66 118.51 2kde s GLN 41 Ca -0.07 2.46 -0.01 0.00 0.02 0.00 0.00 55.36 57.76 2kde s GLN 41 Cb 0.07 -3.08 0.03 0.00 1.00 0.00 0.00 33.01 31.04 2kde s GLN 41 CO 0.82 -0.59 -0.03 0.50 -2.12 0.00 0.00 175.29 173.87 2kde s ARG 42 N 0.18 1.09 -0.41 2.91 3.52 -0.26 -4.90 118.95 121.08 2kde s ARG 42 Ca 0.66 -0.22 -0.20 0.00 -0.13 0.00 0.00 55.73 55.83 2kde s ARG 42 Cb -0.46 -1.55 0.02 0.00 -1.56 0.00 0.00 34.95 31.40 2kde s ARG 42 CO 0.40 -0.37 0.63 -0.51 -0.81 0.00 0.00 175.30 174.65 2kde s LEU 43 N 1.80 4.43 -0.17 -0.88 1.43 -1.26 -0.89 118.68 123.13 2kde s LEU 43 Ca 0.03 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2kde s LEU 43 Cb -0.14 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2kde s LEU 43 CO -0.07 -0.71 -0.19 -0.63 0.23 0.00 0.00 176.35 174.98 2kde s ILE 44 N 2.77 2.18 -0.16 -0.59 1.09 -0.09 -0.90 121.20 125.50 2kde s ILE 44 Ca 0.23 -0.91 -0.02 0.00 -1.10 0.00 0.00 60.65 58.85 2kde s ILE 44 Cb -0.14 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.33 2kde s ILE 44 CO 0.18 0.53 -0.10 0.12 -0.10 0.00 0.00 174.94 175.57 2kde s PHE 45 N 1.19 2.88 -1.30 3.97 5.36 -0.21 -0.86 117.98 129.01 2kde s PHE 45 Ca 0.02 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 2kde s PHE 45 Cb -0.14 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 2kde s PHE 45 CO -0.10 -0.26 0.00 0.00 -1.46 0.00 0.00 175.22 173.40 2kde n ALA 46 N 3.83 -0.59 -1.95 11.12 0.00 -1.26 -1.41 120.51 130.25 2kde n ALA 46 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kde n ALA 46 Cb 0.52 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.68 0.75 2.94 0.00 0.00 -1.26 -5.07 105.19 101.86 2kde n GLY 47 Ca -0.16 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.84 0.23 0.44 1.61 1.02 -0.50 -5.13 119.74 113.58 2kde s LYS 48 Ca 0.00 0.57 -0.24 0.00 0.02 0.00 0.00 55.97 56.32 2kde s LYS 48 Cb 0.00 -0.44 -0.08 0.00 -0.52 0.00 0.00 37.83 36.79 2kde s LYS 48 CO 0.00 -0.48 1.19 -1.14 -0.92 0.00 0.00 175.35 174.00 2kde s GLN 49 N 2.45 3.82 0.34 1.68 0.74 -1.26 -1.05 119.66 126.38 2kde s GLN 49 Ca 0.05 1.85 0.02 0.00 0.05 0.00 0.00 55.36 57.34 2kde s GLN 49 Cb -0.14 -2.50 -0.02 0.00 1.10 0.00 0.00 33.01 31.44 2kde s GLN 49 CO -0.12 -0.52 0.52 -0.51 -0.55 0.00 0.00 175.29 174.11 2kde s LEU 50 N -2.85 4.02 -0.14 3.68 1.43 -0.08 -4.93 118.68 119.82 2kde s LEU 50 Ca 0.62 0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2kde s LEU 50 Cb -0.31 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 2kde s LEU 50 CO 0.38 -0.32 0.19 -0.70 0.23 0.00 0.00 176.35 176.12 2kde s GLU 51 N -4.26 3.86 0.62 1.70 2.12 -1.26 -4.86 118.70 116.61 2kde s GLU 51 Ca 0.40 -0.07 0.34 0.00 0.36 0.00 0.00 54.97 56.01 2kde s GLU 51 Cb -0.09 -3.31 1.98 0.00 0.26 0.00 0.00 34.13 32.97 2kde s GLU 51 CO 0.34 0.53 2.26 -0.44 -0.54 0.00 0.00 175.26 177.40 2kde h ASP 52 N 5.78 0.00 0.70 -1.70 5.19 -1.98 -1.45 116.42 122.96 2kde h ASP 52 Ca -0.48 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.72 2kde h ASP 52 Cb 1.19 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2kde h ASP 52 CO 0.67 0.00 -1.42 1.23 -3.12 0.00 0.00 179.24 176.60 2kde h GLY 53 N 0.00 0.00 -0.70 2.75 0.00 -1.97 -3.07 103.07 100.09 2kde h GLY 53 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.88 2kde h GLY 53 CO -0.00 0.00 0.36 0.50 0.00 0.00 0.00 176.54 177.40 2kde s ARG 54 N -2.79 1.39 0.00 4.80 1.81 -0.54 -4.81 118.95 118.80 2kde s ARG 54 Ca -0.03 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.08 2kde s ARG 54 Cb 0.08 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 2kde s ARG 54 CO 0.81 -1.99 0.00 0.25 -0.68 0.00 0.00 175.30 173.69 2kde n THR 55 N -3.58 0.00 0.04 0.02 -2.24 -1.26 -1.10 114.28 106.15 2kde n THR 55 Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 2kde n THR 55 Cb 0.60 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.01 -0.95 3.22 3.38 -1.32 -3.31 115.31 116.35 2kde h LEU 56 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2kde h LEU 56 Cb 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2kde h LEU 56 CO 0.00 1.01 -0.50 -1.28 0.09 0.00 0.00 178.44 177.76 2kde h SER 57 N 0.00 0.06 -0.01 -0.43 0.87 -1.43 -2.24 113.55 110.38 2kde h SER 57 Ca -0.09 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2kde h SER 57 Cb 1.84 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2kde h SER 57 CO 0.12 0.55 0.02 0.44 -0.53 0.00 0.00 176.83 177.43 2kde h ASP 58 N 0.05 0.00 -0.59 6.23 3.32 -1.83 -1.08 116.42 122.52 2kde h ASP 58 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2kde h ASP 58 Cb 0.90 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 2kde h ASP 58 CO 0.07 0.00 0.19 -1.22 -1.72 0.00 0.00 179.24 176.56 2kde n TYR 59 N -3.90 1.89 -1.89 4.55 4.02 -1.08 -4.92 117.16 115.84 2kde n TYR 59 Ca -0.03 -1.39 -0.12 0.00 -0.01 0.00 0.00 57.90 56.35 2kde n TYR 59 Cb 0.10 -0.61 -0.03 0.00 -0.02 0.00 0.00 39.34 38.78 2kde n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2kde n ASN 60 N -0.70 -3.59 -4.57 7.72 4.13 -0.41 -4.86 115.26 112.98 2kde n ASN 60 Ca 0.39 0.25 -0.41 0.00 1.68 0.00 0.00 54.58 56.49 2kde n ASN 60 Cb 1.25 -3.21 -0.03 0.00 -1.54 0.00 0.00 39.78 36.25 2kde n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kde s ILE 61 N -2.33 3.73 0.00 2.41 1.01 -0.86 -4.99 121.20 120.17 2kde s ILE 61 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2kde s ILE 61 Cb 0.00 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2kde s ILE 61 CO 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 174.94 173.64 2kde n GLN 62 N 8.87 1.28 -1.18 2.79 6.02 -1.26 -4.57 117.38 129.33 2kde n GLN 62 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.80 2kde n GLN 62 Cb 0.49 0.00 0.13 0.00 1.02 0.00 0.00 30.24 31.88 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 -0.80 1.48 -1.29 -1.09 -2.85 -1.26 -3.32 119.74 110.61 2kde s LYS 63 Ca 0.00 0.95 0.00 0.00 -1.00 0.00 0.00 55.97 55.92 2kde s LYS 63 Cb 0.00 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 2kde s LYS 63 CO 0.00 -2.12 0.00 0.39 0.10 0.00 0.00 175.35 173.72 2kde n GLU 64 N -3.82 -1.92 -3.11 1.78 1.02 0.35 -4.93 120.64 110.00 2kde n GLU 64 Ca 0.08 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.55 2kde n GLU 64 Cb 0.54 -5.26 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 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 -2.07 6.99 -0.40 1.62 0.01 -1.21 -4.79 113.70 113.85 2kde s SER 65 Ca 0.00 1.19 -0.19 0.00 1.31 0.00 0.00 55.95 58.25 2kde s SER 65 Cb 0.00 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2kde s SER 65 CO 0.00 -0.01 0.57 -0.89 0.41 0.00 0.00 173.24 173.32 2kde s THR 66 N 0.30 4.93 -0.13 1.44 2.01 -1.26 -1.03 115.64 121.90 2kde s THR 66 Ca 0.34 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.42 2kde s THR 66 Cb -0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2kde s THR 66 CO 0.18 -0.42 0.14 -0.76 -0.69 0.00 0.00 174.62 173.06 2kde s LEU 67 N 2.57 4.35 -0.40 4.42 1.43 0.03 -4.76 118.68 126.32 2kde s LEU 67 Ca 0.20 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.51 2kde s LEU 67 Cb -0.15 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2kde s LEU 67 CO 0.16 0.37 0.67 -1.00 0.23 0.00 0.00 176.35 176.78 2kde s HIS 68 N -0.77 3.09 -0.25 0.29 3.76 -0.04 -0.95 115.29 120.42 2kde s HIS 68 Ca 0.14 0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 55.06 2kde s HIS 68 Cb -0.12 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 30.22 2kde s HIS 68 CO 0.03 -0.78 0.51 -1.17 -0.85 0.00 0.00 174.74 172.48 2kde s LEU 69 N 2.88 4.07 0.26 0.89 2.96 -0.24 -0.91 118.68 128.59 2kde s LEU 69 Ca 0.25 0.55 0.09 0.00 -0.22 0.00 0.00 54.13 54.80 2kde s LEU 69 Cb -0.14 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2kde s LEU 69 CO 0.18 -0.26 0.03 -0.69 -1.32 0.00 0.00 176.35 174.29 2kde s VAL 70 N 2.15 3.63 -0.30 1.68 1.01 -0.07 -4.28 120.40 124.22 2kde s VAL 70 Ca 0.21 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.32 2kde s VAL 70 Cb -0.16 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2kde s VAL 70 CO 0.09 -0.37 0.06 -0.76 0.00 0.00 0.00 175.10 174.12 2kde s LEU 71 N -3.71 3.87 1.15 3.92 1.43 -1.26 -1.10 118.68 122.98 2kde s LEU 71 Ca 0.32 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 52.38 2kde s LEU 71 Cb -0.07 -1.84 0.26 0.00 0.03 0.00 0.00 46.19 44.58 2kde s LEU 71 CO 0.21 -0.22 1.13 -0.60 0.23 0.00 0.00 176.35 177.10 2kde s ARG 72 N 1.44 -0.80 0.38 1.70 3.52 0.33 -5.02 118.95 120.50 2kde s ARG 72 Ca 0.01 -0.03 0.08 0.00 -0.13 0.00 0.00 55.73 55.66 2kde s ARG 72 Cb -0.18 -1.64 -0.04 0.00 -1.56 0.00 0.00 34.95 31.53 2kde s ARG 72 CO 0.01 -3.44 0.19 -0.51 -0.81 0.00 0.00 175.30 170.74 2kde s LEU 73 N -6.76 3.23 -0.10 -0.88 1.02 -1.26 -4.90 118.68 109.02 2kde s LEU 73 Ca 0.70 -0.88 0.19 0.00 0.02 0.00 0.00 54.13 54.16 2kde s LEU 73 Cb -0.10 -1.67 0.42 0.00 0.02 0.00 0.00 46.19 44.86 2kde s LEU 73 CO 0.56 -0.43 1.19 -1.14 0.02 0.00 0.00 176.35 176.55 2kde n ARG 74 N -1.23 0.79 0.00 1.70 0.63 -1.26 -5.01 116.66 112.28 2kde n ARG 74 Ca -0.01 -2.65 0.00 0.00 -0.92 0.00 0.00 57.85 54.27 2kde n ARG 74 Cb 0.62 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.73 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 -0.30 2.36 0.51 5.14 0.00 -1.26 -5.29 105.19 106.35 2kde n GLY 75 Ca 0.12 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.66 2kde n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93