#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd0 n GLY 2 N 0.00 2.14 0.73 3.03 0.00 -1.26 -4.77 105.19 105.05 2kd0 n GLY 2 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.50 2kd0 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kd0 n HIS 3 N 0.00 0.22 -2.57 1.61 8.25 -1.26 -4.80 115.22 116.66 2kd0 n HIS 3 Ca 0.00 -0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 2kd0 n HIS 3 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kd0 n HIS 3 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kd0 n HIS 4 N 0.91 4.38 -0.12 4.41 -0.00 -1.26 -4.59 115.22 118.95 2kd0 n HIS 4 Ca 0.12 -3.05 -0.15 0.00 -0.00 0.00 0.00 57.72 54.64 2kd0 n HIS 4 Cb 0.43 -2.36 -0.12 0.00 -0.00 0.00 0.00 29.99 27.95 2kd0 n HIS 4 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kd0 n HIS 5 N 6.39 0.00 1.19 4.41 1.44 -1.26 -4.41 115.22 122.98 2kd0 n HIS 5 Ca 0.43 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.27 2kd0 n HIS 5 Cb 0.42 -0.93 0.28 0.00 0.12 0.00 0.00 29.99 29.88 2kd0 n HIS 5 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kd0 n HIS 6 N -3.12 0.00 -4.17 -1.40 -0.00 -1.26 -4.87 115.22 100.40 2kd0 n HIS 6 Ca -0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.15 2kd0 n HIS 6 Cb 0.98 -0.08 -0.14 0.00 -0.00 0.00 0.00 29.99 30.75 2kd0 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd0 s HIS 7 N -2.44 0.49 -0.18 1.57 0.09 -1.26 -5.15 115.29 108.41 2kd0 s HIS 7 Ca 0.24 -0.11 -0.11 0.00 -0.00 0.00 0.00 55.06 55.08 2kd0 s HIS 7 Cb 0.19 -0.32 -0.05 0.00 -0.00 0.00 0.00 32.58 32.41 2kd0 s HIS 7 CO 0.51 -0.01 0.17 -1.58 -0.00 0.00 0.00 174.74 173.83 2kd0 s HIS 8 N -0.18 3.44 0.30 1.40 5.04 -1.26 -4.62 115.29 119.40 2kd0 s HIS 8 Ca 0.02 0.41 -0.05 0.00 -1.54 0.00 0.00 55.06 53.90 2kd0 s HIS 8 Cb -0.02 -2.19 0.07 0.00 0.04 0.00 0.00 32.58 30.48 2kd0 s HIS 8 CO -0.00 0.31 0.26 0.43 -2.34 0.00 0.00 174.74 173.40 2kd0 n SER 9 N 3.41 -1.32 -4.71 9.88 7.64 -1.26 -4.94 113.62 122.31 2kd0 n SER 9 Ca -0.15 -0.64 -0.42 0.00 1.01 0.00 0.00 58.87 58.67 2kd0 n SER 9 Cb 0.52 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 2kd0 n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2kd0 s HIS 10 N -1.46 2.97 -0.42 1.43 5.65 -1.26 -4.88 115.29 117.31 2kd0 s HIS 10 Ca 0.17 0.62 -0.28 0.00 0.25 0.00 0.00 55.06 55.82 2kd0 s HIS 10 Cb -0.02 -3.89 -0.08 0.00 -1.18 0.00 0.00 32.58 27.42 2kd0 s HIS 10 CO 0.13 -3.33 2.36 0.45 -0.65 0.00 0.00 174.74 173.70 2kd0 n SER 11 N 4.30 2.49 -3.74 9.88 2.88 -1.26 -4.93 113.62 123.24 2kd0 n SER 11 Ca 0.14 -0.18 -0.21 0.00 -1.33 0.00 0.00 58.87 57.28 2kd0 n SER 11 Cb 0.40 -1.52 -0.18 0.00 -0.75 0.00 0.00 64.21 62.16 2kd0 n SER 11 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kd0 s THR 12 N 10.48 0.18 0.26 2.46 -4.23 -1.26 -4.19 115.64 119.35 2kd0 s THR 12 Ca 1.02 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 61.60 2kd0 s THR 12 Cb -0.34 -0.37 -0.08 0.00 1.34 0.00 0.00 72.50 73.05 2kd0 s THR 12 CO 0.32 0.22 0.69 0.27 -0.54 0.00 0.00 174.62 175.57 2kd0 s ILE 13 N 1.92 4.70 -0.11 2.99 -4.36 0.13 -4.79 121.20 121.69 2kd0 s ILE 13 Ca 0.03 0.97 -0.19 0.00 -0.26 0.00 0.00 60.65 61.21 2kd0 s ILE 13 Cb -0.12 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 39.84 2kd0 s ILE 13 CO -0.04 0.00 0.51 -0.54 0.24 0.00 0.00 174.94 175.11 2kd0 s LYS 14 N -2.53 4.35 0.20 0.37 1.02 -1.26 -1.28 119.74 120.62 2kd0 s LYS 14 Ca 0.48 0.51 0.11 0.00 0.02 0.00 0.00 55.97 57.09 2kd0 s LYS 14 Cb -0.13 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 2kd0 s LYS 14 CO 0.19 0.15 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.05 2kd0 s LEU 15 N 0.64 2.55 -0.34 3.17 1.02 0.35 0.96 118.68 127.03 2kd0 s LEU 15 Ca 0.28 -0.83 0.01 0.00 0.02 0.00 0.00 54.13 53.61 2kd0 s LEU 15 Cb -0.15 -1.26 0.10 0.00 0.02 0.00 0.00 46.19 44.90 2kd0 s LEU 15 CO 0.11 0.11 0.10 -0.89 0.02 0.00 0.00 176.35 175.81 2kd0 s THR 16 N -1.75 1.38 -0.29 5.49 2.01 -0.49 -0.19 115.64 121.79 2kd0 s THR 16 Ca 0.22 -1.84 -0.27 0.00 0.31 0.00 0.00 61.69 60.11 2kd0 s THR 16 Cb -0.08 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.42 2kd0 s THR 16 CO 0.11 -0.68 0.97 -0.69 -0.69 0.00 0.00 174.62 173.64 2kd0 s VAL 17 N 1.23 4.66 -0.94 3.82 1.01 0.39 -1.24 120.40 129.32 2kd0 s VAL 17 Ca 0.11 1.65 -0.24 0.00 0.00 0.00 0.00 61.98 63.50 2kd0 s VAL 17 Cb -0.19 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.93 2kd0 s VAL 17 CO -0.17 -0.31 1.53 -0.54 0.00 0.00 0.00 175.10 175.61 2kd0 s LYS 18 N 3.28 3.31 -0.56 2.72 1.02 0.13 -0.77 119.74 128.88 2kd0 s LYS 18 Ca 0.41 -0.76 -0.14 0.00 0.02 0.00 0.00 55.97 55.49 2kd0 s LYS 18 Cb -0.14 -5.08 0.14 0.00 -0.52 0.00 0.00 37.83 32.23 2kd0 s LYS 18 CO 0.11 -2.42 0.49 0.12 -0.92 0.00 0.00 175.35 172.73 2kd0 s PHE 19 N 6.15 3.34 -1.42 3.18 5.36 -0.90 -1.26 117.98 132.44 2kd0 s PHE 19 Ca 0.49 -1.51 -0.07 0.00 -0.96 0.00 0.00 56.93 54.88 2kd0 s PHE 19 Cb -0.03 -3.73 0.04 0.00 -0.34 0.00 0.00 43.02 38.96 2kd0 s PHE 19 CO -0.03 -1.01 0.90 0.41 -1.46 0.00 0.00 175.22 174.03 2kd0 n GLY 20 N 5.02 -0.42 1.67 13.12 0.00 -1.26 -1.10 105.19 122.23 2kd0 n GLY 20 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2kd0 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kd0 n GLY 21 N -1.66 1.81 3.93 -0.02 0.00 -1.26 -5.05 105.19 102.94 2kd0 n GLY 21 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2kd0 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kd0 s LYS 22 N -0.46 2.76 -0.31 1.61 -0.14 -0.26 -5.08 119.74 117.86 2kd0 s LYS 22 Ca 0.00 -0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.49 2kd0 s LYS 22 Cb 0.00 -2.29 0.08 0.00 -1.68 0.00 0.00 37.83 33.94 2kd0 s LYS 22 CO 0.00 -0.77 -0.02 -1.54 -0.76 0.00 0.00 175.35 172.26 2kd0 s SER 23 N -4.35 4.66 -0.54 2.83 1.04 -1.26 -2.11 113.70 113.98 2kd0 s SER 23 Ca 0.55 -1.77 -0.17 0.00 0.48 0.00 0.00 55.95 55.04 2kd0 s SER 23 Cb -0.11 -1.61 0.11 0.00 0.10 0.00 0.00 66.02 64.52 2kd0 s SER 23 CO 0.44 -0.30 0.53 -0.63 0.98 0.00 0.00 173.24 174.26 2kd0 s ILE 24 N 1.02 5.11 -0.62 -1.02 -1.09 0.06 -4.91 121.20 119.75 2kd0 s ILE 24 Ca 0.01 -1.24 -0.27 0.00 -2.23 0.00 0.00 60.65 56.91 2kd0 s ILE 24 Cb -0.20 -4.33 0.03 0.00 -1.58 0.00 0.00 42.46 36.39 2kd0 s ILE 24 CO -0.06 -0.86 1.19 -2.84 -1.23 0.00 0.00 174.94 171.14 2kd0 s PRO 25 N 1.90 3.40 0.49 2.79 0.02 -1.26 -0.46 135.00 141.88 2kd0 s PRO 25 Ca 0.06 0.04 0.07 0.00 0.02 0.00 0.00 61.00 61.19 2kd0 s PRO 25 Cb -0.27 -4.07 0.02 0.00 0.02 0.00 0.00 34.50 30.20 2kd0 s PRO 25 CO 0.05 -1.80 0.42 -0.51 -0.33 0.00 0.00 177.00 174.83 2kd0 s LEU 26 N 5.07 3.02 -0.27 -5.54 1.43 0.73 -4.95 118.68 118.17 2kd0 s LEU 26 Ca 0.39 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2kd0 s LEU 26 Cb -0.08 -1.56 0.16 0.00 0.03 0.00 0.00 46.19 44.73 2kd0 s LEU 26 CO 0.22 -0.93 0.45 -0.94 0.23 0.00 0.00 176.35 175.37 2kd0 s SER 27 N -4.24 -0.25 0.29 2.29 1.04 -1.26 -0.50 113.70 111.07 2kd0 s SER 27 Ca 0.42 0.28 0.06 0.00 0.48 0.00 0.00 55.95 57.20 2kd0 s SER 27 Cb -0.03 1.43 -0.06 0.00 0.10 0.00 0.00 66.02 67.47 2kd0 s SER 27 CO 0.26 -0.30 -0.04 0.68 0.98 0.00 0.00 173.24 174.82 2kd0 s VAL 28 N 2.64 1.59 0.30 5.02 -7.23 -0.40 -4.85 120.40 117.46 2kd0 s VAL 28 Ca 0.14 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 2kd0 s VAL 28 Cb -0.14 -2.52 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 2kd0 s VAL 28 CO -0.20 -0.25 0.72 -0.44 -0.31 0.00 0.00 175.10 174.63 2kd0 s SER 29 N -3.46 6.82 0.04 4.85 0.01 -1.26 0.22 113.70 120.91 2kd0 s SER 29 Ca 0.31 1.28 0.03 0.00 1.31 0.00 0.00 55.95 58.88 2kd0 s SER 29 Cb 0.05 -2.37 0.15 0.00 0.21 0.00 0.00 66.02 64.06 2kd0 s SER 29 CO 0.13 -0.16 1.08 -0.81 0.41 0.00 0.00 173.24 173.89 2kd0 n PRO 30 N -0.16 0.02 0.15 12.44 -0.04 -1.26 -1.26 135.00 144.89 2kd0 n PRO 30 Ca 0.02 0.51 -0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2kd0 n PRO 30 Cb 0.53 -1.57 0.21 0.00 -0.04 0.00 0.00 33.50 32.63 2kd0 n PRO 30 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kd0 h ASP 31 N 0.00 0.00 -3.94 3.54 5.19 -1.92 -3.39 116.42 115.89 2kd0 h ASP 31 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2kd0 h ASP 31 Cb 0.01 0.00 0.06 0.00 0.18 0.00 0.00 39.33 39.59 2kd0 h ASP 31 CO 0.00 0.56 0.55 0.00 -3.12 0.00 0.00 179.24 177.23 2kd0 s THR 33 N -1.34 4.36 0.47 0.00 -4.23 -1.26 -1.56 115.64 112.08 2kd0 s THR 33 Ca 0.57 -0.65 0.40 0.00 -1.18 0.00 0.00 61.69 60.82 2kd0 s THR 33 Cb -0.34 -3.58 0.42 0.00 1.34 0.00 0.00 72.50 70.34 2kd0 s THR 33 CO 0.43 -0.34 2.23 -0.37 -0.54 0.00 0.00 174.62 176.03 2kd0 h VAL 34 N 0.66 0.06 0.09 2.29 -1.51 -1.66 0.30 116.25 116.48 2kd0 h VAL 34 Ca -0.47 -0.20 -0.17 0.00 -1.23 0.00 0.00 66.70 64.63 2kd0 h VAL 34 Cb 1.24 1.19 0.02 0.00 -2.13 0.00 0.00 31.29 31.61 2kd0 h VAL 34 CO 0.57 0.01 -0.71 0.50 -1.23 0.00 0.00 177.57 176.72 2kd0 h LYS 35 N 0.00 0.33 -0.55 5.19 3.64 -1.85 -3.01 116.57 120.31 2kd0 h LYS 35 Ca -0.00 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2kd0 h LYS 35 Cb 0.19 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2kd0 h LYS 35 CO 0.00 1.18 0.37 0.22 -2.27 0.00 0.00 179.45 178.95 2kd0 h ASP 36 N -0.30 0.58 -0.90 4.20 3.58 -1.65 -1.03 116.42 120.90 2kd0 h ASP 36 Ca -0.11 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2kd0 h ASP 36 Cb 1.50 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.37 2kd0 h ASP 36 CO 0.13 0.41 0.53 0.25 -2.88 0.00 0.00 179.24 177.69 2kd0 h LEU 37 N 0.68 1.09 -0.61 2.28 6.46 -1.02 -2.64 115.31 121.55 2kd0 h LEU 37 Ca 0.22 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 2kd0 h LEU 37 Cb 0.02 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.63 2kd0 h LEU 37 CO -0.05 0.84 0.32 0.11 -0.62 0.00 0.00 178.44 179.04 2kd0 h LYS 38 N 1.25 0.59 0.00 1.25 1.57 -1.05 -0.71 116.57 119.47 2kd0 h LYS 38 Ca 0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2kd0 h LYS 38 Cb -0.04 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2kd0 h LYS 38 CO -0.06 0.39 0.00 -1.13 -0.57 0.00 0.00 179.45 178.08 2kd0 n SER 39 N -4.83 0.00 0.00 0.86 3.41 -1.01 -0.18 113.62 111.87 2kd0 n SER 39 Ca 0.07 0.31 -0.22 0.00 -0.26 0.00 0.00 58.87 58.77 2kd0 n SER 39 Cb 0.17 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.57 2kd0 n SER 39 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2kd0 h GLN 40 N 0.00 0.24 0.11 4.33 4.20 -1.00 -3.40 115.11 119.59 2kd0 h GLN 40 Ca 0.00 -0.42 -0.27 0.00 0.06 0.00 0.00 58.65 58.03 2kd0 h GLN 40 Cb 0.21 0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.15 2kd0 h GLN 40 CO 0.00 1.20 -1.18 -0.07 -0.67 0.00 0.00 178.83 178.11 2kd0 h LEU 41 N -0.16 0.47 -0.44 1.46 3.38 -0.89 -3.38 115.31 115.75 2kd0 h LEU 41 Ca -0.38 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.22 2kd0 h LEU 41 Cb 1.88 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 42.39 2kd0 h LEU 41 CO 0.05 1.34 -0.17 -0.61 0.09 0.00 0.00 178.44 179.14 2kd0 h GLN 42 N 0.11 -0.08 0.00 1.13 4.15 -0.78 0.34 115.11 119.98 2kd0 h GLN 42 Ca -0.13 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2kd0 h GLN 42 Cb 1.89 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.60 2kd0 h GLN 42 CO 0.20 -0.05 0.00 -0.35 -1.93 0.00 0.00 178.83 176.69 2kd0 n PRO 43 N -5.37 0.15 -0.13 -2.39 -0.04 -1.26 0.26 135.00 126.21 2kd0 n PRO 43 Ca 0.03 0.59 -0.24 0.00 -0.04 0.00 0.00 63.50 63.84 2kd0 n PRO 43 Cb 0.28 -1.94 -0.11 0.00 -0.04 0.00 0.00 33.50 31.70 2kd0 n PRO 43 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kd0 n ILE 44 N -2.25 1.47 0.12 0.52 5.41 0.30 -4.60 119.36 120.33 2kd0 n ILE 44 Ca -0.01 -0.46 0.05 0.00 1.00 0.00 0.00 62.75 63.33 2kd0 n ILE 44 Cb 0.08 -1.65 0.02 0.00 -0.71 0.00 0.00 39.64 37.37 2kd0 n ILE 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2kd0 h THR 45 N -0.53 0.51 -1.04 1.39 1.35 -0.33 -3.48 112.91 110.79 2kd0 h THR 45 Ca -0.63 -1.80 -0.29 0.00 -0.55 0.00 0.00 66.41 63.14 2kd0 h THR 45 Cb 1.73 2.13 -0.09 0.00 -1.73 0.00 0.00 68.15 70.19 2kd0 h THR 45 CO -0.27 0.29 -0.29 0.59 -0.25 0.00 0.00 175.52 175.59 2kd0 n ASN 46 N -3.05 -4.62 -4.87 5.36 3.02 0.14 -4.91 115.26 106.34 2kd0 n ASN 46 Ca -0.01 0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 54.45 2kd0 n ASN 46 Cb 0.70 -3.48 -0.06 0.00 -0.61 0.00 0.00 39.78 36.34 2kd0 n ASN 46 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kd0 s VAL 47 N -2.58 5.34 0.33 2.41 1.01 -1.25 -4.99 120.40 120.67 2kd0 s VAL 47 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2kd0 s VAL 47 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 2kd0 s VAL 47 CO 0.00 0.44 1.26 -0.76 0.00 0.00 0.00 175.10 176.03 2kd0 s LEU 48 N -1.58 4.43 0.41 3.92 1.43 -1.26 -4.63 118.68 121.41 2kd0 s LEU 48 Ca 0.22 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 55.99 2kd0 s LEU 48 Cb -0.12 -3.67 0.87 0.00 0.03 0.00 0.00 46.19 43.29 2kd0 s LEU 48 CO 0.13 -0.47 2.02 1.55 0.23 0.00 0.00 176.35 179.80 2kd0 h PRO 49 N 3.41 0.39 0.00 1.29 0.13 -1.93 -0.64 132.00 134.65 2kd0 h PRO 49 Ca -0.48 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2kd0 h PRO 49 Cb 1.22 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kd0 h PRO 49 CO 0.65 0.34 -0.13 -0.09 -0.23 0.00 0.00 178.00 178.54 2kd0 h ARG 50 N 0.40 0.00 0.07 0.86 2.43 -2.01 -3.09 114.38 113.04 2kd0 h ARG 50 Ca 0.10 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.94 2kd0 h ARG 50 Cb 0.09 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2kd0 h ARG 50 CO -0.01 0.13 -1.80 0.78 -1.51 0.00 0.00 179.97 177.57 2kd0 h GLY 51 N 1.62 0.18 -7.46 2.80 0.00 -1.53 -3.45 103.07 95.22 2kd0 h GLY 51 Ca -0.00 -0.46 -0.49 0.00 0.00 0.00 0.00 47.33 46.37 2kd0 h GLY 51 CO 0.02 0.40 1.49 1.20 0.00 0.00 0.00 176.54 179.65 2kd0 s GLN 52 N -2.59 2.46 -0.27 4.80 -0.21 -0.65 -4.68 119.66 118.52 2kd0 s GLN 52 Ca -0.13 1.13 -0.16 0.00 0.02 0.00 0.00 55.36 56.22 2kd0 s GLN 52 Cb 0.07 -4.46 -0.03 0.00 1.00 0.00 0.00 33.01 29.59 2kd0 s GLN 52 CO 0.81 -2.89 0.44 0.15 -2.12 0.00 0.00 175.29 171.68 2kd0 s LYS 53 N 7.47 3.99 -0.37 2.91 1.02 -1.19 -4.95 119.74 128.62 2kd0 s LYS 53 Ca 0.84 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.79 2kd0 s LYS 53 Cb -0.17 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 2kd0 s LYS 53 CO 0.25 -0.34 0.38 -0.51 -0.92 0.00 0.00 175.35 174.21 2kd0 s LEU 54 N 2.18 4.61 -0.11 3.17 1.43 -1.26 -1.32 118.68 127.39 2kd0 s LEU 54 Ca 0.17 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2kd0 s LEU 54 Cb -0.16 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.72 2kd0 s LEU 54 CO 0.10 -0.42 -0.23 -0.63 0.23 0.00 0.00 176.35 175.40 2kd0 s ILE 55 N 2.03 2.13 -0.02 -0.59 1.01 -0.00 -2.57 121.20 123.19 2kd0 s ILE 55 Ca 0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2kd0 s ILE 55 Cb -0.17 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2kd0 s ILE 55 CO 0.12 0.56 0.05 0.12 0.00 0.00 0.00 174.94 175.78 2kd0 s PHE 56 N 0.39 -0.04 -2.01 3.97 5.36 -0.31 -0.74 117.98 124.60 2kd0 s PHE 56 Ca -0.17 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 2kd0 s PHE 56 Cb -0.18 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2kd0 s PHE 56 CO 0.08 -0.03 0.00 1.63 -1.46 0.00 0.00 175.22 175.43 2kd0 n LYS 57 N 3.00 -1.53 -0.90 10.12 4.76 -1.26 -0.70 118.16 131.65 2kd0 n LYS 57 Ca -0.13 1.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.44 2kd0 n LYS 57 Cb 0.60 -5.62 0.00 0.00 -1.84 0.00 0.00 35.03 28.16 2kd0 n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kd0 n GLY 58 N -0.69 1.02 3.55 0.72 0.00 -1.26 -5.01 105.19 103.52 2kd0 n GLY 58 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2kd0 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kd0 s LYS 59 N -0.08 3.82 -0.21 1.61 2.20 0.12 -5.08 119.74 122.12 2kd0 s LYS 59 Ca 0.00 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 2kd0 s LYS 59 Cb 0.00 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 2kd0 s LYS 59 CO 0.00 0.08 1.23 0.54 -0.36 0.00 0.00 175.35 176.84 2kd0 s VAL 60 N 0.88 4.32 0.61 4.02 0.11 -1.26 -1.17 120.40 127.91 2kd0 s VAL 60 Ca 0.03 1.57 -0.13 0.00 -2.93 0.00 0.00 61.98 60.52 2kd0 s VAL 60 Cb -0.14 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 2kd0 s VAL 60 CO 0.02 -0.23 1.03 -0.76 -3.33 0.00 0.00 175.10 171.83 2kd0 s LEU 61 N 3.67 3.34 -0.04 2.54 2.01 -1.06 -5.01 118.68 124.12 2kd0 s LEU 61 Ca 0.53 1.53 -0.17 0.00 0.01 0.00 0.00 54.13 56.04 2kd0 s LEU 61 Cb -0.19 -4.49 -0.05 0.00 0.01 0.00 0.00 46.19 41.47 2kd0 s LEU 61 CO 0.15 -0.94 0.46 -0.69 1.01 0.00 0.00 176.35 176.35 2kd0 s VAL 62 N -2.94 5.05 0.53 -1.59 1.01 -1.26 -4.92 120.40 116.28 2kd0 s VAL 62 Ca 0.57 0.95 0.24 0.00 0.00 0.00 0.00 61.98 63.74 2kd0 s VAL 62 Cb -0.12 -3.79 0.37 0.00 0.00 0.00 0.00 36.38 32.84 2kd0 s VAL 62 CO 0.47 0.47 2.04 -0.33 0.00 0.00 0.00 175.10 177.74 2kd0 h GLU 63 N 5.53 0.00 0.00 2.72 5.08 -1.96 -0.92 114.58 125.03 2kd0 h GLU 63 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2kd0 h GLU 63 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kd0 h GLU 63 CO 0.68 0.00 -0.03 1.79 -1.00 0.00 0.00 179.01 180.45 2kd0 h THR 64 N 0.00 0.00 -3.42 1.13 1.35 -1.99 -3.27 112.91 106.71 2kd0 h THR 64 Ca 0.18 -0.69 -0.54 0.00 -0.55 0.00 0.00 66.41 64.81 2kd0 h THR 64 Cb 0.75 1.67 -0.04 0.00 -1.73 0.00 0.00 68.15 68.80 2kd0 h THR 64 CO -0.00 0.00 0.11 -0.94 -0.25 0.00 0.00 175.52 174.44 2kd0 s SER 65 N -5.18 7.25 0.78 5.36 1.04 -0.35 -4.96 113.70 117.64 2kd0 s SER 65 Ca 0.09 1.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.89 2kd0 s SER 65 Cb 0.09 -2.45 0.06 0.00 0.10 0.00 0.00 66.02 63.83 2kd0 s SER 65 CO 0.63 0.18 1.09 0.42 0.98 0.00 0.00 173.24 176.54 2kd0 s THR 66 N -0.85 3.19 0.21 2.02 -4.23 -1.26 -2.60 115.64 112.11 2kd0 s THR 66 Ca 0.34 0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 2kd0 s THR 66 Cb -0.21 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.64 2kd0 s THR 66 CO 0.23 -0.50 1.72 -0.07 -0.54 0.00 0.00 174.62 175.46 2kd0 h LEU 67 N -1.03 0.09 -0.60 4.79 -0.00 -1.48 0.40 115.31 117.47 2kd0 h LEU 67 Ca -0.47 0.10 -0.10 0.00 -0.00 0.00 0.00 57.88 57.42 2kd0 h LEU 67 Cb 1.26 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 42.02 2kd0 h LEU 67 CO 0.59 0.05 0.00 0.50 -0.00 0.00 0.00 178.44 179.59 2kd0 h LYS 68 N 0.31 1.07 0.00 1.13 3.64 -1.76 -0.65 116.57 120.31 2kd0 h LYS 68 Ca 0.31 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2kd0 h LYS 68 Cb 0.44 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2kd0 h LYS 68 CO -0.37 1.04 -0.07 1.96 -2.27 0.00 0.00 179.45 179.74 2kd0 h GLN 69 N 0.97 0.00 -0.25 1.90 4.20 -1.61 -1.43 115.11 118.88 2kd0 h GLN 69 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2kd0 h GLN 69 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2kd0 h GLN 69 CO 0.03 0.07 0.00 0.43 -0.67 0.00 0.00 178.83 178.70 2kd0 n SER 70 N -3.39 1.35 -0.52 1.46 7.64 0.13 -4.87 113.62 115.42 2kd0 n SER 70 Ca -0.01 -2.00 -0.07 0.00 1.01 0.00 0.00 58.87 57.80 2kd0 n SER 70 Cb 0.23 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2kd0 n SER 70 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kd0 n ASP 71 N 0.24 -4.49 -4.64 6.43 2.03 -0.54 -4.98 116.55 110.59 2kd0 n ASP 71 Ca 0.09 0.17 -0.42 0.00 0.52 0.00 0.00 54.79 55.14 2kd0 n ASP 71 Cb 0.21 -2.59 -0.04 0.00 -0.72 0.00 0.00 41.12 37.98 2kd0 n ASP 71 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kd0 s VAL 72 N -2.03 4.77 0.54 5.18 1.01 -0.34 -5.01 120.40 124.51 2kd0 s VAL 72 Ca 0.00 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2kd0 s VAL 72 Cb 0.00 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2kd0 s VAL 72 CO 0.00 -0.16 0.55 -0.83 0.00 0.00 0.00 175.10 174.66 2kd0 s GLY 73 N 1.37 2.10 -0.80 4.51 0.00 -1.26 -4.18 107.32 109.06 2kd0 s GLY 73 Ca 0.38 -1.66 -0.25 0.00 0.00 0.00 0.00 44.72 43.18 2kd0 s GLY 73 CO 0.08 -1.81 1.79 -0.45 0.00 0.00 0.00 173.10 172.71 2kd0 s SER 74 N -4.41 5.46 0.00 1.64 0.15 -1.26 -2.04 113.70 113.25 2kd0 s SER 74 Ca 0.46 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2kd0 s SER 74 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2kd0 s SER 74 CO 0.29 -2.38 0.00 0.61 1.20 0.00 0.00 173.24 172.96 2kd0 n GLY 75 N 6.33 1.43 3.81 9.45 0.00 0.27 -4.75 105.19 121.73 2kd0 n GLY 75 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 2kd0 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kd0 s ALA 76 N -1.66 3.58 -0.24 4.61 0.00 -0.86 -4.86 121.76 122.33 2kd0 s ALA 76 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 2kd0 s ALA 76 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2kd0 s ALA 76 CO 0.00 0.40 0.30 0.15 0.00 0.00 0.00 175.76 176.61 2kd0 s LYS 77 N -1.22 4.06 -0.25 0.00 1.02 -1.26 -1.40 119.74 120.70 2kd0 s LYS 77 Ca 0.30 -0.05 -0.09 0.00 0.02 0.00 0.00 55.97 56.15 2kd0 s LYS 77 Cb -0.19 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 2kd0 s LYS 77 CO 0.19 -0.11 0.13 -0.51 -0.92 0.00 0.00 175.35 174.13 2kd0 s LEU 78 N 1.54 3.83 -0.36 3.17 1.43 -0.38 -4.84 118.68 123.08 2kd0 s LEU 78 Ca 0.13 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 2kd0 s LEU 78 Cb -0.15 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2kd0 s LEU 78 CO 0.08 0.01 1.30 -0.32 0.23 0.00 0.00 176.35 177.65 2kd0 s MET 79 N 1.37 3.80 -0.50 1.70 -2.45 0.08 0.23 119.30 123.53 2kd0 s MET 79 Ca 0.06 1.06 -0.15 0.00 -1.25 0.00 0.00 55.69 55.42 2kd0 s MET 79 Cb -0.15 -3.92 0.10 0.00 1.25 0.00 0.00 34.83 32.12 2kd0 s MET 79 CO 0.06 -1.27 0.43 -1.17 1.05 0.00 0.00 175.02 174.12 2kd0 s LEU 80 N 4.65 5.85 -1.02 4.11 2.96 -0.39 -0.82 118.68 134.02 2kd0 s LEU 80 Ca 0.56 -1.57 -0.23 0.00 -0.22 0.00 0.00 54.13 52.67 2kd0 s LEU 80 Cb -0.14 -2.17 0.03 0.00 0.50 0.00 0.00 46.19 44.40 2kd0 s LEU 80 CO 0.26 -0.74 1.57 -0.32 -1.32 0.00 0.00 176.35 175.81 2kd0 s MET 81 N 1.60 3.40 -0.14 1.98 -2.45 -0.43 -4.13 119.30 119.12 2kd0 s MET 81 Ca 0.04 -1.02 -0.04 0.00 -1.25 0.00 0.00 55.69 53.41 2kd0 s MET 81 Cb -0.27 -5.31 0.07 0.00 1.25 0.00 0.00 34.83 30.57 2kd0 s MET 81 CO 0.04 -2.46 0.24 0.00 1.05 0.00 0.00 175.02 173.89 2kd0 s ALA 82 N 5.99 -0.43 0.04 4.11 0.00 -1.26 -3.17 121.76 127.03 2kd0 s ALA 82 Ca 0.51 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 2kd0 s ALA 82 Cb -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 2kd0 s ALA 82 CO -0.07 -0.80 1.09 -1.12 0.00 0.00 0.00 175.76 174.87 2kd0 s SER 83 N 2.38 7.22 -0.90 0.00 0.01 -1.26 -4.60 113.70 116.55 2kd0 s SER 83 Ca 0.03 1.85 -0.24 0.00 1.31 0.00 0.00 55.95 58.90 2kd0 s SER 83 Cb -0.13 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 2kd0 s SER 83 CO -0.09 -0.36 1.74 -1.10 0.41 0.00 0.00 173.24 173.84 2kd0 s GLN 84 N 0.99 2.92 0.00 12.44 -0.21 -1.26 -4.99 119.66 129.54 2kd0 s GLN 84 Ca 0.55 -0.44 0.25 0.00 0.02 0.00 0.00 55.36 55.74 2kd0 s GLN 84 Cb -0.26 -5.02 1.52 0.00 1.00 0.00 0.00 33.01 30.25 2kd0 s GLN 84 CO 0.29 -2.87 1.87 0.41 -2.12 0.00 0.00 175.29 172.87