#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd0 s GLY 2 N 0.00 -0.15 0.00 3.03 0.00 -1.26 -5.10 107.32 103.84 2kd0 s GLY 2 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 44.72 46.83 2kd0 s GLY 2 CO 0.00 0.81 0.00 -2.39 0.00 0.00 0.00 173.10 171.52 2kd0 n HIS 3 N 0.23 -1.04 -1.64 1.90 1.44 -1.26 -4.84 115.22 110.02 2kd0 n HIS 3 Ca -0.01 0.00 -0.51 0.00 -2.01 0.00 0.00 57.72 55.20 2kd0 n HIS 3 Cb 0.58 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.63 2kd0 n HIS 3 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kd0 n HIS 4 N -1.10 2.11 -2.64 -1.40 -0.00 -1.26 -4.91 115.22 106.02 2kd0 n HIS 4 Ca 0.00 0.17 -0.43 0.00 -0.00 0.00 0.00 57.72 57.46 2kd0 n HIS 4 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 29.99 27.37 2kd0 n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kd0 s HIS 5 N 4.83 3.34 -0.04 4.41 -0.00 -1.26 -5.02 115.29 121.55 2kd0 s HIS 5 Ca 0.98 1.45 -0.20 0.00 -0.00 0.00 0.00 55.06 57.29 2kd0 s HIS 5 Cb -0.80 -3.27 -0.05 0.00 -0.00 0.00 0.00 32.58 28.46 2kd0 s HIS 5 CO 0.54 -0.55 0.56 -1.01 -0.00 0.00 0.00 174.74 174.28 2kd0 s HIS 6 N 2.86 3.64 -1.02 0.38 3.76 -1.26 -5.01 115.29 118.63 2kd0 s HIS 6 Ca 0.47 1.12 -0.20 0.00 -0.15 0.00 0.00 55.06 56.29 2kd0 s HIS 6 Cb -0.17 -2.59 0.10 0.00 1.11 0.00 0.00 32.58 31.03 2kd0 s HIS 6 CO 0.11 0.31 1.33 -1.58 -0.85 0.00 0.00 174.74 174.06 2kd0 s HIS 7 N 0.03 2.88 -0.37 1.40 2.46 -1.26 -4.91 115.29 115.52 2kd0 s HIS 7 Ca 0.30 -1.24 0.01 0.00 0.47 0.00 0.00 55.06 54.60 2kd0 s HIS 7 Cb -0.17 -4.49 0.12 0.00 -0.13 0.00 0.00 32.58 27.90 2kd0 s HIS 7 CO 0.15 -1.69 0.15 -1.01 -2.47 0.00 0.00 174.74 169.88 2kd0 s HIS 8 N 3.66 2.15 -0.90 3.88 4.02 -1.26 -4.88 115.29 121.96 2kd0 s HIS 8 Ca 0.41 -2.24 0.00 0.00 1.02 0.00 0.00 55.06 54.25 2kd0 s HIS 8 Cb -0.02 -1.99 0.00 0.00 -1.02 0.00 0.00 32.58 29.55 2kd0 s HIS 8 CO -0.08 -0.84 0.00 0.43 1.02 0.00 0.00 174.74 175.27 2kd0 n SER 9 N 4.17 -2.79 -4.54 1.40 7.64 -1.26 -4.90 113.62 113.34 2kd0 n SER 9 Ca 0.03 0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.81 2kd0 n SER 9 Cb 0.39 -2.58 -0.11 0.00 -1.01 0.00 0.00 64.21 60.89 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 -2.10 3.13 0.13 1.43 2.46 -1.26 -5.10 115.29 113.98 2kd0 s HIS 10 Ca 0.00 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.35 2kd0 s HIS 10 Cb 0.00 -2.08 -0.00 0.00 -0.13 0.00 0.00 32.58 30.37 2kd0 s HIS 10 CO 0.00 -0.05 0.01 0.45 -2.47 0.00 0.00 174.74 172.68 2kd0 n SER 11 N 3.91 2.05 -4.44 9.88 2.88 -1.26 -5.05 113.62 121.58 2kd0 n SER 11 Ca -0.17 -1.58 -0.31 0.00 -1.33 0.00 0.00 58.87 55.48 2kd0 n SER 11 Cb 0.52 0.14 -0.13 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.59 2.75 -0.13 2.46 -4.23 -1.26 -4.37 115.64 109.26 2kd0 s THR 12 Ca 0.01 -1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2kd0 s THR 12 Cb 0.00 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2kd0 s THR 12 CO 0.01 0.38 0.03 0.27 -0.54 0.00 0.00 174.62 174.77 2kd0 s ILE 13 N -0.88 4.55 -0.28 2.99 -4.36 0.13 -4.90 121.20 118.44 2kd0 s ILE 13 Ca 0.14 -0.14 -0.23 0.00 -0.26 0.00 0.00 60.65 60.16 2kd0 s ILE 13 Cb -0.10 -2.98 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 2kd0 s ILE 13 CO 0.04 0.54 0.79 -0.54 0.24 0.00 0.00 174.94 176.00 2kd0 s LYS 14 N -0.25 4.05 0.47 0.37 1.02 -1.26 -1.21 119.74 122.93 2kd0 s LYS 14 Ca 0.07 0.70 0.05 0.00 0.02 0.00 0.00 55.97 56.81 2kd0 s LYS 14 Cb -0.12 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 2kd0 s LYS 14 CO 0.02 -0.60 0.16 -0.51 -0.92 0.00 0.00 175.35 173.50 2kd0 s LEU 15 N 2.87 2.73 -0.24 3.17 1.43 0.40 -0.56 118.68 128.48 2kd0 s LEU 15 Ca 0.33 -1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.06 2kd0 s LEU 15 Cb -0.15 -1.10 0.10 0.00 0.03 0.00 0.00 46.19 45.07 2kd0 s LEU 15 CO 0.10 -0.77 0.19 -0.89 0.23 0.00 0.00 176.35 175.22 2kd0 s THR 16 N -2.74 -0.24 -0.15 5.49 2.01 -0.80 -0.49 115.64 118.72 2kd0 s THR 16 Ca 0.28 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2kd0 s THR 16 Cb 0.02 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2kd0 s THR 16 CO 0.16 -0.42 0.02 0.54 -0.69 0.00 0.00 174.62 174.22 2kd0 s VAL 17 N 2.24 4.41 -0.51 3.82 0.11 -0.40 -0.55 120.40 129.53 2kd0 s VAL 17 Ca 0.07 -0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 58.71 2kd0 s VAL 17 Cb -0.15 -2.94 0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2kd0 s VAL 17 CO -0.23 0.50 0.85 -0.54 -3.33 0.00 0.00 175.10 172.35 2kd0 s LYS 18 N 0.08 3.33 -1.00 1.54 1.02 0.42 -0.38 119.74 124.75 2kd0 s LYS 18 Ca 0.03 -0.30 -0.23 0.00 0.02 0.00 0.00 55.97 55.49 2kd0 s LYS 18 Cb -0.13 -4.02 0.04 0.00 -0.52 0.00 0.00 37.83 33.20 2kd0 s LYS 18 CO 0.02 -1.33 1.52 -0.06 -0.92 0.00 0.00 175.35 174.57 2kd0 s PHE 19 N 3.55 2.42 -1.92 3.18 0.08 0.17 -1.44 117.98 124.01 2kd0 s PHE 19 Ca 0.28 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2kd0 s PHE 19 Cb -0.13 -4.61 0.00 0.00 -0.57 0.00 0.00 43.02 37.71 2kd0 s PHE 19 CO 0.19 -1.92 0.00 0.41 -0.10 0.00 0.00 175.22 173.81 2kd0 n GLY 20 N 6.85 1.19 0.00 4.36 0.00 -1.04 -2.03 105.19 114.52 2kd0 n GLY 20 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.52 0.87 3.63 -0.02 0.00 -1.26 -5.09 105.19 102.80 2kd0 n GLY 21 Ca -0.20 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 4.06 -0.39 1.61 -0.14 -0.86 -4.96 119.74 119.05 2kd0 s LYS 22 Ca 0.00 0.73 -0.27 0.00 -1.36 0.00 0.00 55.97 55.07 2kd0 s LYS 22 Cb 0.00 -3.69 0.02 0.00 -1.68 0.00 0.00 37.83 32.48 2kd0 s LYS 22 CO 0.00 -0.61 1.00 -1.12 -0.76 0.00 0.00 175.35 173.86 2kd0 s SER 23 N 1.51 6.71 -0.25 2.83 0.01 -1.26 0.44 113.70 123.68 2kd0 s SER 23 Ca 0.33 0.61 -0.06 0.00 1.31 0.00 0.00 55.95 58.15 2kd0 s SER 23 Cb -0.15 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 2kd0 s SER 23 CO 0.10 -0.96 0.03 -0.63 0.41 0.00 0.00 173.24 172.19 2kd0 s ILE 24 N 3.75 3.86 -0.18 1.44 -1.09 0.49 -4.91 121.20 124.54 2kd0 s ILE 24 Ca 0.42 -0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 58.08 2kd0 s ILE 24 Cb -0.11 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2kd0 s ILE 24 CO 0.21 0.28 1.29 -2.84 -1.23 0.00 0.00 174.94 172.65 2kd0 s PRO 25 N 1.53 4.17 0.52 2.79 0.02 -1.26 -1.27 135.00 141.49 2kd0 s PRO 25 Ca 0.05 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2kd0 s PRO 25 Cb -0.15 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.57 2kd0 s PRO 25 CO 0.01 -0.79 0.01 1.28 -0.33 0.00 0.00 177.00 177.18 2kd0 n LEU 26 N 6.82 0.00 -3.29 -5.54 4.77 0.36 -4.96 117.00 115.16 2kd0 n LEU 26 Ca 0.14 -3.22 -0.06 0.00 -0.03 0.00 0.00 56.01 52.84 2kd0 n LEU 26 Cb 0.45 0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2kd0 n LEU 26 CO 0.57 -0.46 -0.01 -0.94 -1.33 0.00 0.00 177.39 175.22 2kd0 s SER 27 N -3.83 -0.08 0.36 -1.43 1.04 -1.26 -0.46 113.70 108.04 2kd0 s SER 27 Ca 0.01 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.62 2kd0 s SER 27 Cb -0.00 1.33 -0.01 0.00 0.10 0.00 0.00 66.02 67.44 2kd0 s SER 27 CO 0.00 -0.31 0.09 1.33 0.98 0.00 0.00 173.24 175.33 2kd0 n VAL 28 N 5.38 0.00 -3.00 5.02 0.24 -0.35 -4.87 118.33 120.74 2kd0 n VAL 28 Ca -0.02 -1.98 -0.41 0.00 -2.04 0.00 0.00 64.34 59.89 2kd0 n VAL 28 Cb 0.50 0.63 -0.05 0.00 -1.47 0.00 0.00 33.84 33.45 2kd0 n VAL 28 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kd0 s SER 29 N -3.14 6.62 0.52 -1.34 0.15 -1.26 -0.70 113.70 114.55 2kd0 s SER 29 Ca 0.13 0.63 0.20 0.00 0.70 0.00 0.00 55.95 57.61 2kd0 s SER 29 Cb 0.01 -2.38 1.37 0.00 -1.71 0.00 0.00 66.02 63.31 2kd0 s SER 29 CO 0.09 -0.54 2.14 1.55 1.20 0.00 0.00 173.24 177.67 2kd0 h PRO 30 N 8.08 0.00 -0.08 5.44 0.13 -1.94 -1.42 132.00 142.22 2kd0 h PRO 30 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kd0 h PRO 30 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kd0 h PRO 30 CO 0.85 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.42 2kd0 n ASP 31 N -4.24 0.74 -4.81 1.44 9.92 -1.26 -1.25 116.55 117.09 2kd0 n ASP 31 Ca -0.03 -1.58 -0.37 0.00 -0.53 0.00 0.00 54.79 52.28 2kd0 n ASP 31 Cb 0.13 -0.05 -0.06 0.00 -0.64 0.00 0.00 41.12 40.50 2kd0 n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kd0 s THR 33 N -1.42 4.00 0.54 0.00 -4.23 -1.26 -2.46 115.64 110.81 2kd0 s THR 33 Ca 0.40 1.05 0.22 0.00 -1.18 0.00 0.00 61.69 62.18 2kd0 s THR 33 Cb -0.18 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.50 2kd0 s THR 33 CO 0.21 -0.46 2.12 -0.37 -0.54 0.00 0.00 174.62 175.59 2kd0 h VAL 34 N 0.96 0.80 0.07 2.29 -1.51 -1.16 -0.65 116.25 117.05 2kd0 h VAL 34 Ca -0.48 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 64.75 2kd0 h VAL 34 Cb 1.21 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2kd0 h VAL 34 CO 0.59 0.00 -1.09 0.50 -1.23 0.00 0.00 177.57 176.34 2kd0 h LYS 35 N 0.00 0.28 -0.93 5.19 3.64 -1.83 -2.92 116.57 120.00 2kd0 h LYS 35 Ca 0.07 -0.39 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 2kd0 h LYS 35 Cb 0.29 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 2kd0 h LYS 35 CO -0.00 1.14 0.58 0.22 -2.27 0.00 0.00 179.45 179.12 2kd0 h ASP 36 N 0.12 0.91 -0.43 4.20 3.58 -1.42 -1.36 116.42 122.03 2kd0 h ASP 36 Ca -0.10 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2kd0 h ASP 36 Cb 1.78 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.64 2kd0 h ASP 36 CO 0.18 0.57 0.27 -0.07 -2.88 0.00 0.00 179.24 177.31 2kd0 h LEU 37 N 1.04 0.51 -0.67 2.28 3.38 -1.41 -2.26 115.31 118.18 2kd0 h LEU 37 Ca 0.41 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.45 2kd0 h LEU 37 Cb 0.21 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2kd0 h LEU 37 CO -0.19 0.39 0.28 0.11 0.09 0.00 0.00 178.44 179.13 2kd0 h LYS 38 N 0.58 0.46 0.00 1.13 1.57 -1.08 0.28 116.57 119.51 2kd0 h LYS 38 Ca 0.16 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2kd0 h LYS 38 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2kd0 h LYS 38 CO -0.03 0.30 -0.29 1.03 -0.57 0.00 0.00 179.45 179.89 2kd0 h SER 39 N 0.47 0.00 0.67 0.86 0.87 -1.18 -2.00 113.55 113.24 2kd0 h SER 39 Ca 0.34 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.63 2kd0 h SER 39 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2kd0 h SER 39 CO -0.31 0.29 -1.27 1.56 -0.53 0.00 0.00 176.83 176.57 2kd0 h GLN 40 N 0.00 0.20 -0.06 2.24 4.20 -0.47 -3.33 115.11 117.89 2kd0 h GLN 40 Ca -0.00 -0.35 -0.18 0.00 0.06 0.00 0.00 58.65 58.18 2kd0 h GLN 40 Cb 0.63 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 2kd0 h GLN 40 CO 0.04 1.13 -0.73 -0.07 -0.67 0.00 0.00 178.83 178.53 2kd0 h LEU 41 N 0.06 0.41 -0.55 1.46 3.38 -0.37 -3.36 115.31 116.33 2kd0 h LEU 41 Ca -0.14 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.67 2kd0 h LEU 41 Cb 1.94 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 42.46 2kd0 h LEU 41 CO 0.18 1.00 -0.24 1.56 0.09 0.00 0.00 178.44 181.02 2kd0 h GLN 42 N 0.23 -0.11 0.00 1.13 4.20 -1.48 0.63 115.11 119.72 2kd0 h GLN 42 Ca -0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2kd0 h GLN 42 Cb 1.30 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2kd0 h GLN 42 CO 0.12 -0.07 0.00 -2.30 -0.67 0.00 0.00 178.83 175.91 2kd0 n PRO 43 N -5.43 0.05 0.00 1.46 -0.02 -1.26 -1.45 135.00 128.37 2kd0 n PRO 43 Ca 0.05 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 2kd0 n PRO 43 Cb 0.33 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.17 2kd0 n PRO 43 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kd0 n ILE 44 N -1.74 1.20 0.59 4.25 5.41 0.13 -4.77 119.36 124.43 2kd0 n ILE 44 Ca 0.01 0.30 0.13 0.00 1.00 0.00 0.00 62.75 64.20 2kd0 n ILE 44 Cb 0.10 -1.78 0.39 0.00 -0.71 0.00 0.00 39.64 37.63 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 -0.31 0.00 -3.06 1.39 1.35 0.03 -3.48 112.91 108.84 2kd0 h THR 45 Ca 0.00 -0.51 -0.35 0.00 -0.55 0.00 0.00 66.41 65.00 2kd0 h THR 45 Cb 0.31 1.50 0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2kd0 h THR 45 CO 0.00 0.00 -0.48 0.59 -0.25 0.00 0.00 175.52 175.38 2kd0 n ASN 46 N -2.33 -5.27 -4.39 5.36 3.02 -0.53 -5.00 115.26 106.12 2kd0 n ASN 46 Ca 0.05 -0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.17 2kd0 n ASN 46 Cb 0.43 -4.25 -0.14 0.00 -0.61 0.00 0.00 39.78 35.21 2kd0 n ASN 46 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kd0 s VAL 47 N -2.96 2.74 0.69 2.41 0.11 -1.26 -5.05 120.40 117.08 2kd0 s VAL 47 Ca 0.11 -0.82 -0.13 0.00 -2.93 0.00 0.00 61.98 58.20 2kd0 s VAL 47 Cb -0.05 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 2kd0 s VAL 47 CO 0.13 0.57 1.09 -0.76 -3.33 0.00 0.00 175.10 172.81 2kd0 s LEU 48 N -0.38 3.27 0.43 2.54 1.43 -1.26 -4.41 118.68 120.31 2kd0 s LEU 48 Ca 0.04 1.89 0.11 0.00 -1.03 0.00 0.00 54.13 55.14 2kd0 s LEU 48 Cb -0.12 -4.53 0.95 0.00 0.03 0.00 0.00 46.19 42.51 2kd0 s LEU 48 CO 0.02 -1.68 2.01 1.55 0.23 0.00 0.00 176.35 178.48 2kd0 h PRO 49 N -0.34 0.19 -0.27 1.29 0.13 -1.91 0.64 132.00 131.74 2kd0 h PRO 49 Ca -0.45 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2kd0 h PRO 49 Cb 1.24 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2kd0 h PRO 49 CO 0.54 0.25 0.07 -0.09 -0.23 0.00 0.00 178.00 178.53 2kd0 h ARG 50 N 0.19 0.17 -0.15 0.86 9.65 -2.01 -3.11 114.38 119.97 2kd0 h ARG 50 Ca 0.05 -0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.76 2kd0 h ARG 50 Cb 0.20 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2kd0 h ARG 50 CO 0.01 0.11 -0.52 0.78 2.80 0.00 0.00 179.97 183.15 2kd0 h GLY 51 N 0.17 0.67 -7.24 2.80 0.00 -1.75 -3.42 103.07 94.30 2kd0 h GLY 51 Ca 0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2kd0 h GLY 51 CO -0.15 0.79 0.05 -1.06 0.00 0.00 0.00 176.54 176.17 2kd0 n GLN 52 N -4.18 0.37 -3.29 4.80 6.02 0.17 -4.62 117.38 116.64 2kd0 n GLN 52 Ca -0.07 -1.14 -0.46 0.00 -0.01 0.00 0.00 57.00 55.32 2kd0 n GLN 52 Cb 0.61 -3.72 -0.04 0.00 1.02 0.00 0.00 30.24 28.11 2kd0 n GLN 52 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2kd0 s LYS 53 N 8.73 3.15 -0.71 -1.09 1.02 -1.26 -4.91 119.74 124.66 2kd0 s LYS 53 Ca 0.89 -1.86 -0.26 0.00 0.02 0.00 0.00 55.97 54.76 2kd0 s LYS 53 Cb -0.11 -4.34 -0.00 0.00 -0.52 0.00 0.00 37.83 32.86 2kd0 s LYS 53 CO 0.13 -1.34 1.68 -0.51 -0.92 0.00 0.00 175.35 174.38 2kd0 s LEU 54 N 1.36 3.25 -0.28 3.17 1.43 -1.26 -2.95 118.68 123.41 2kd0 s LEU 54 Ca 0.08 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 2kd0 s LEU 54 Cb -0.24 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2kd0 s LEU 54 CO 0.00 -2.21 0.18 -0.63 0.23 0.00 0.00 176.35 173.92 2kd0 s ILE 55 N 7.98 5.24 -0.05 -0.59 1.01 0.96 -2.12 121.20 133.63 2kd0 s ILE 55 Ca 0.57 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.38 2kd0 s ILE 55 Cb -0.10 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.90 2kd0 s ILE 55 CO 0.14 0.26 -0.07 0.12 0.00 0.00 0.00 174.94 175.39 2kd0 s PHE 56 N 1.75 1.01 -2.04 3.97 5.36 -0.17 -1.71 117.98 126.14 2kd0 s PHE 56 Ca 0.07 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 2kd0 s PHE 56 Cb -0.16 -0.82 0.00 0.00 -0.34 0.00 0.00 43.02 41.70 2kd0 s PHE 56 CO 0.10 -0.23 0.00 1.63 -1.46 0.00 0.00 175.22 175.26 2kd0 n LYS 57 N 4.03 -1.54 -0.41 10.12 4.76 -1.26 -2.10 118.16 131.77 2kd0 n LYS 57 Ca -0.23 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 2kd0 n LYS 57 Cb 0.51 -5.62 0.00 0.00 -1.84 0.00 0.00 35.03 28.08 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 -0.60 0.75 3.25 0.72 0.00 -1.26 -5.07 105.19 102.99 2kd0 n GLY 58 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.59 1.77 -0.51 1.61 2.20 -0.89 -5.09 119.74 118.23 2kd0 s LYS 59 Ca 0.00 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 54.52 2kd0 s LYS 59 Cb 0.00 -1.73 0.03 0.00 -1.51 0.00 0.00 37.83 34.62 2kd0 s LYS 59 CO 0.00 0.47 1.06 0.08 -0.36 0.00 0.00 175.35 176.60 2kd0 s VAL 60 N -0.56 4.26 0.46 4.02 1.01 -1.26 -1.00 120.40 127.33 2kd0 s VAL 60 Ca 0.09 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 2kd0 s VAL 60 Cb -0.09 -4.58 -0.08 0.00 0.00 0.00 0.00 36.38 31.64 2kd0 s VAL 60 CO -0.00 -1.06 1.39 -0.76 0.00 0.00 0.00 175.10 174.67 2kd0 s LEU 61 N 4.30 4.09 0.40 3.92 2.01 -0.90 -4.94 118.68 127.56 2kd0 s LEU 61 Ca 0.41 2.84 -0.26 0.00 0.01 0.00 0.00 54.13 57.13 2kd0 s LEU 61 Cb -0.09 -3.98 -0.09 0.00 0.01 0.00 0.00 46.19 42.05 2kd0 s LEU 61 CO 0.27 -1.17 1.29 -0.69 1.01 0.00 0.00 176.35 177.06 2kd0 s VAL 62 N -1.23 2.67 0.21 -1.59 1.01 -1.26 -4.92 120.40 115.27 2kd0 s VAL 62 Ca 0.62 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 2kd0 s VAL 62 Cb -0.42 -3.35 0.15 0.00 0.00 0.00 0.00 36.38 32.76 2kd0 s VAL 62 CO 0.53 0.09 1.71 -0.33 0.00 0.00 0.00 175.10 177.10 2kd0 h GLU 63 N 2.70 0.24 -0.04 2.72 5.08 -1.97 -0.43 114.58 122.88 2kd0 h GLU 63 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2kd0 h GLU 63 Cb 1.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kd0 h GLU 63 CO 0.63 0.16 0.00 0.25 -1.00 0.00 0.00 179.01 179.05 2kd0 n THR 64 N -5.13 0.05 -3.27 1.13 -2.24 -1.26 -3.47 114.28 100.09 2kd0 n THR 64 Ca 0.08 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 2kd0 n THR 64 Cb 0.31 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2kd0 n THR 64 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kd0 s SER 65 N -1.48 6.77 0.57 3.42 0.15 -0.17 -4.91 113.70 118.04 2kd0 s SER 65 Ca 0.25 0.92 -0.05 0.00 0.70 0.00 0.00 55.95 57.77 2kd0 s SER 65 Cb 0.12 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 62.12 2kd0 s SER 65 CO 0.19 0.01 0.86 0.42 1.20 0.00 0.00 173.24 175.93 2kd0 s THR 66 N 0.46 3.63 0.19 6.45 -4.23 -1.26 -0.99 115.64 119.89 2kd0 s THR 66 Ca 0.28 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.55 2kd0 s THR 66 Cb -0.16 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.36 2kd0 s THR 66 CO 0.12 -0.41 1.85 -0.07 -0.54 0.00 0.00 174.62 175.58 2kd0 h LEU 67 N -0.08 0.70 -1.48 4.79 -0.00 -1.13 0.61 115.31 118.72 2kd0 h LEU 67 Ca -0.45 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.36 2kd0 h LEU 67 Cb 1.26 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2kd0 h LEU 67 CO 0.60 0.50 -0.26 0.50 -0.00 0.00 0.00 178.44 179.78 2kd0 h LYS 68 N 0.83 0.00 0.00 1.13 3.64 -1.31 0.41 116.57 121.27 2kd0 h LYS 68 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2kd0 h LYS 68 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2kd0 h LYS 68 CO -0.07 0.26 -0.24 1.96 -2.27 0.00 0.00 179.45 179.10 2kd0 h GLN 69 N 0.00 0.00 -0.64 1.90 4.20 -1.65 -3.32 115.11 115.60 2kd0 h GLN 69 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kd0 h GLN 69 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2kd0 h GLN 69 CO 0.03 0.00 0.00 0.45 -0.67 0.00 0.00 178.83 178.64 2kd0 n SER 70 N -2.91 4.28 -1.28 1.46 2.88 0.15 -4.90 113.62 113.30 2kd0 n SER 70 Ca 0.03 -2.49 -0.17 0.00 -1.33 0.00 0.00 58.87 54.91 2kd0 n SER 70 Cb 0.52 -0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 63.35 2kd0 n SER 70 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kd0 n ASP 71 N 0.77 -5.22 -4.64 -3.46 9.92 -1.08 -4.97 116.55 107.87 2kd0 n ASP 71 Ca 0.22 0.41 -0.39 0.00 -0.53 0.00 0.00 54.79 54.50 2kd0 n ASP 71 Cb 0.84 -4.19 -0.08 0.00 -0.64 0.00 0.00 41.12 37.05 2kd0 n ASP 71 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kd0 s VAL 72 N -2.55 5.15 0.00 2.53 1.01 -0.01 -5.03 120.40 121.50 2kd0 s VAL 72 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2kd0 s VAL 72 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2kd0 s VAL 72 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2kd0 n GLY 73 N 4.28 4.24 3.54 4.51 0.00 -1.26 -3.98 105.19 116.51 2kd0 n GLY 73 Ca -0.07 -1.06 -0.49 0.00 0.00 0.00 0.00 46.02 44.40 2kd0 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kd0 n SER 74 N 0.00 2.65 -0.00 1.61 3.41 -1.26 -1.14 113.62 118.90 2kd0 n SER 74 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2kd0 n SER 74 Cb 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 2kd0 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kd0 n GLY 75 N 5.87 0.75 3.65 5.00 0.00 0.28 -4.99 105.19 115.75 2kd0 n GLY 75 Ca 0.34 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 3.66 -0.89 4.61 0.00 -0.29 -4.91 121.76 121.94 2kd0 s ALA 76 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 2kd0 s ALA 76 Cb 0.00 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.80 2kd0 s ALA 76 CO 0.00 -0.96 1.30 0.15 0.00 0.00 0.00 175.76 176.24 2kd0 s LYS 77 N 2.95 3.44 0.31 0.00 1.02 -1.26 -1.90 119.74 124.30 2kd0 s LYS 77 Ca 0.39 -0.98 -0.06 0.00 0.02 0.00 0.00 55.97 55.33 2kd0 s LYS 77 Cb -0.15 -4.86 -0.05 0.00 -0.52 0.00 0.00 37.83 32.24 2kd0 s LYS 77 CO 0.07 -2.07 0.60 -0.51 -0.92 0.00 0.00 175.35 172.52 2kd0 s LEU 78 N 4.67 4.01 -0.16 3.17 1.43 0.29 -4.87 118.68 127.22 2kd0 s LEU 78 Ca 0.38 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2kd0 s LEU 78 Cb -0.05 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kd0 s LEU 78 CO -0.01 -0.24 -0.17 -0.32 0.23 0.00 0.00 176.35 175.84 2kd0 s MET 79 N -3.60 2.58 -0.23 1.70 -2.45 -0.69 -0.44 119.30 116.18 2kd0 s MET 79 Ca 0.46 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 54.24 2kd0 s MET 79 Cb -0.11 -2.28 0.04 0.00 1.25 0.00 0.00 34.83 33.73 2kd0 s MET 79 CO 0.30 -0.21 -0.14 -1.17 1.05 0.00 0.00 175.02 174.85 2kd0 s LEU 80 N 1.36 2.93 -1.19 4.11 2.96 -0.52 -0.03 118.68 128.29 2kd0 s LEU 80 Ca 0.04 -1.09 -0.20 0.00 -0.22 0.00 0.00 54.13 52.66 2kd0 s LEU 80 Cb -0.13 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.08 2kd0 s LEU 80 CO -0.11 -0.11 1.68 -0.32 -1.32 0.00 0.00 176.35 176.17 2kd0 s MET 81 N 1.18 3.68 -0.33 1.98 -2.45 -1.15 -2.50 119.30 119.71 2kd0 s MET 81 Ca -0.03 -1.60 -0.01 0.00 -1.25 0.00 0.00 55.69 52.80 2kd0 s MET 81 Cb -0.17 -5.44 0.07 0.00 1.25 0.00 0.00 34.83 30.54 2kd0 s MET 81 CO -0.08 -2.45 0.05 0.00 1.05 0.00 0.00 175.02 173.59 2kd0 s ALA 82 N 5.32 2.90 0.17 4.11 0.00 -1.26 -4.07 121.76 128.94 2kd0 s ALA 82 Ca 0.54 -2.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.42 2kd0 s ALA 82 Cb 0.02 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2kd0 s ALA 82 CO 0.03 -1.46 0.13 0.45 0.00 0.00 0.00 175.76 174.91 2kd0 s SER 83 N 1.36 0.19 0.00 0.00 0.15 -1.26 -4.52 113.70 109.61 2kd0 s SER 83 Ca -0.00 -1.27 0.21 0.00 0.70 0.00 0.00 55.95 55.59 2kd0 s SER 83 Cb -0.20 0.36 -0.20 0.00 -1.71 0.00 0.00 66.02 64.27 2kd0 s SER 83 CO -0.03 -0.82 0.92 0.00 1.20 0.00 0.00 173.24 174.52 2kd0 n GLN 84 N -0.21 0.08 0.00 5.44 10.64 -1.26 -5.04 117.38 127.04 2kd0 n GLN 84 Ca -0.01 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2kd0 n GLN 84 Cb 0.65 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 2kd0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64