#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 2.37 0.02 3.17 0.00 -1.26 -4.75 105.19 104.74 2kd0 n GLY 2 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.89 2kd0 n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kd0 n HIS 3 N 9.62 0.10 -2.86 1.61 -0.00 -1.26 -4.35 115.22 118.10 2kd0 n HIS 3 Ca 0.48 0.05 -0.43 0.00 -0.00 0.00 0.00 57.72 57.82 2kd0 n HIS 3 Cb 0.43 -0.58 -0.04 0.00 -0.00 0.00 0.00 29.99 29.80 2kd0 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd0 s HIS 4 N -3.06 2.83 -0.39 -1.40 0.09 -1.26 -5.03 115.29 107.07 2kd0 s HIS 4 Ca 0.03 0.02 -0.15 0.00 -0.00 0.00 0.00 55.06 54.96 2kd0 s HIS 4 Cb 0.05 -4.01 0.01 0.00 -0.00 0.00 0.00 32.58 28.62 2kd0 s HIS 4 CO 0.14 -1.29 0.31 -3.38 -0.00 0.00 0.00 174.74 170.52 2kd0 s HIS 5 N 3.83 3.23 -0.09 1.40 0.00 -1.26 -5.05 115.29 117.35 2kd0 s HIS 5 Ca 0.31 -0.45 -0.30 0.00 -3.00 0.00 0.00 55.06 51.62 2kd0 s HIS 5 Cb -0.12 -2.60 -0.04 0.00 -4.00 0.00 0.00 32.58 25.82 2kd0 s HIS 5 CO 0.20 -0.54 1.39 -3.38 -1.00 0.00 0.00 174.74 171.40 2kd0 s HIS 6 N 1.76 2.67 -0.11 0.38 0.00 -1.26 -5.01 115.29 113.71 2kd0 s HIS 6 Ca 0.06 0.78 -0.08 0.00 -3.00 0.00 0.00 55.06 52.82 2kd0 s HIS 6 Cb -0.18 -3.64 0.04 0.00 -4.00 0.00 0.00 32.58 24.80 2kd0 s HIS 6 CO 0.11 -2.37 0.28 -1.01 -1.00 0.00 0.00 174.74 170.74 2kd0 s HIS 7 N 3.23 -0.34 -0.03 0.38 4.02 -1.26 -5.07 115.29 116.22 2kd0 s HIS 7 Ca 0.62 0.80 -0.22 0.00 1.02 0.00 0.00 55.06 57.28 2kd0 s HIS 7 Cb -0.27 0.10 -0.25 0.00 -1.02 0.00 0.00 32.58 31.14 2kd0 s HIS 7 CO 0.22 -0.19 1.01 1.25 1.02 0.00 0.00 174.74 178.05 2kd0 h HIS 8 N 6.27 0.44 -3.67 1.40 2.76 -2.02 -3.43 115.15 116.89 2kd0 h HIS 8 Ca -0.31 -0.26 -0.48 0.00 -2.20 0.00 0.00 60.37 57.12 2kd0 h HIS 8 Cb 1.18 -0.04 0.05 0.00 1.55 0.00 0.00 27.41 30.15 2kd0 h HIS 8 CO 0.38 1.10 0.17 0.45 -1.30 0.00 0.00 177.93 178.73 2kd0 s SER 9 N -6.61 5.74 -1.69 3.26 0.15 -1.26 -4.15 113.70 109.13 2kd0 s SER 9 Ca -0.15 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2kd0 s SER 9 Cb 0.02 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2kd0 s SER 9 CO 0.79 -0.97 0.00 1.41 1.20 0.00 0.00 173.24 175.67 2kd0 n HIS 10 N -2.53 -0.44 -2.41 3.44 -0.00 -1.26 -4.87 115.22 107.15 2kd0 n HIS 10 Ca 0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.38 2kd0 n HIS 10 Cb 0.57 -3.08 -0.02 0.00 -0.00 0.00 0.00 29.99 27.46 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kd0 s SER 11 N -2.33 6.22 -0.30 0.41 0.15 -1.26 -4.95 113.70 111.65 2kd0 s SER 11 Ca 0.00 -2.01 -0.23 0.00 0.70 0.00 0.00 55.95 54.40 2kd0 s SER 11 Cb 0.00 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2kd0 s SER 11 CO 0.00 -1.81 0.79 0.42 1.20 0.00 0.00 173.24 173.84 2kd0 s THR 12 N 6.47 4.80 0.33 6.45 -4.23 -1.26 -4.71 115.64 123.49 2kd0 s THR 12 Ca 0.58 1.22 -0.20 0.00 -1.18 0.00 0.00 61.69 62.11 2kd0 s THR 12 Cb 0.02 -4.14 -0.10 0.00 1.34 0.00 0.00 72.50 69.62 2kd0 s THR 12 CO 0.07 -0.23 0.85 0.27 -0.54 0.00 0.00 174.62 175.04 2kd0 s ILE 13 N 2.94 4.46 -0.33 2.99 -4.36 0.37 -4.61 121.20 122.65 2kd0 s ILE 13 Ca 0.32 1.39 -0.20 0.00 -0.26 0.00 0.00 60.65 61.90 2kd0 s ILE 13 Cb -0.14 -3.75 -0.00 0.00 1.25 0.00 0.00 42.46 39.81 2kd0 s ILE 13 CO 0.12 -0.06 0.62 -0.54 0.24 0.00 0.00 174.94 175.31 2kd0 s LYS 14 N -2.60 3.76 -0.25 0.37 1.02 -1.26 -0.96 119.74 119.82 2kd0 s LYS 14 Ca 0.53 0.12 -0.10 0.00 0.02 0.00 0.00 55.97 56.54 2kd0 s LYS 14 Cb -0.13 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 2kd0 s LYS 14 CO 0.18 -0.66 0.16 -0.51 -0.92 0.00 0.00 175.35 173.60 2kd0 s LEU 15 N 2.63 3.97 -0.90 3.17 1.02 0.58 -0.68 118.68 128.47 2kd0 s LEU 15 Ca 0.24 0.02 -0.17 0.00 0.02 0.00 0.00 54.13 54.24 2kd0 s LEU 15 Cb -0.15 -2.08 0.16 0.00 0.02 0.00 0.00 46.19 44.15 2kd0 s LEU 15 CO 0.13 0.01 1.01 -0.89 0.02 0.00 0.00 176.35 176.63 2kd0 s THR 16 N 1.38 5.05 -0.32 5.49 2.01 0.09 -1.05 115.64 128.30 2kd0 s THR 16 Ca 0.07 -1.93 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 2kd0 s THR 16 Cb -0.15 -4.67 0.01 0.00 0.01 0.00 0.00 72.50 67.70 2kd0 s THR 16 CO 0.07 -1.34 0.86 -0.69 -0.69 0.00 0.00 174.62 172.83 2kd0 s VAL 17 N 1.75 4.71 -0.51 3.82 1.01 0.09 -0.68 120.40 130.59 2kd0 s VAL 17 Ca 0.28 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.32 2kd0 s VAL 17 Cb -0.07 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2kd0 s VAL 17 CO -0.09 -0.34 0.68 -0.54 0.00 0.00 0.00 175.10 174.81 2kd0 s LYS 18 N 3.16 3.16 -1.25 2.72 1.02 0.17 -0.41 119.74 128.31 2kd0 s LYS 18 Ca 0.35 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.39 2kd0 s LYS 18 Cb -0.13 -4.09 0.06 0.00 -0.52 0.00 0.00 37.83 33.15 2kd0 s LYS 18 CO 0.14 -1.26 1.71 -0.06 -0.92 0.00 0.00 175.35 174.96 2kd0 s PHE 19 N 2.87 2.70 0.00 3.18 0.08 0.36 -1.99 117.98 125.18 2kd0 s PHE 19 Ca 0.18 -1.40 0.00 0.00 0.12 0.00 0.00 56.93 55.83 2kd0 s PHE 19 Cb -0.18 -4.71 0.00 0.00 -0.57 0.00 0.00 43.02 37.56 2kd0 s PHE 19 CO 0.13 -1.80 0.00 0.41 -0.10 0.00 0.00 175.22 173.86 2kd0 n GLY 20 N 5.65 0.83 0.00 4.36 0.00 -1.26 -1.18 105.19 113.59 2kd0 n GLY 20 Ca 0.46 0.58 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 0.00 0.22 3.52 -0.02 0.00 -1.26 -4.99 105.19 102.65 2kd0 n GLY 21 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.38 3.30 -0.64 1.61 -0.14 -0.33 -5.03 119.74 118.14 2kd0 s LYS 22 Ca 0.00 -0.45 -0.24 0.00 -1.36 0.00 0.00 55.97 53.91 2kd0 s LYS 22 Cb 0.00 -3.92 0.05 0.00 -1.68 0.00 0.00 37.83 32.28 2kd0 s LYS 22 CO 0.00 -0.86 1.05 -1.12 -0.76 0.00 0.00 175.35 173.66 2kd0 s SER 23 N 1.87 6.24 -0.50 2.83 0.01 -1.26 -0.49 113.70 122.40 2kd0 s SER 23 Ca 0.18 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 56.66 2kd0 s SER 23 Cb -0.15 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.68 2kd0 s SER 23 CO 0.16 -1.47 0.55 -0.63 0.41 0.00 0.00 173.24 172.26 2kd0 s ILE 24 N 4.48 5.00 -0.47 1.44 -1.09 0.45 -4.92 121.20 126.09 2kd0 s ILE 24 Ca 0.29 -0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 2kd0 s ILE 24 Cb -0.13 -4.26 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 2kd0 s ILE 24 CO 0.15 -0.76 0.90 -2.16 -1.23 0.00 0.00 174.94 171.84 2kd0 s PRO 25 N 2.27 3.49 -0.13 2.79 0.04 -1.26 -0.73 135.00 141.47 2kd0 s PRO 25 Ca 0.11 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.23 2kd0 s PRO 25 Cb -0.22 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.38 2kd0 s PRO 25 CO 0.09 -1.22 -0.16 -0.51 0.04 0.00 0.00 177.00 175.24 2kd0 s LEU 26 N 3.68 2.51 -0.51 -3.56 1.43 -0.22 -4.94 118.68 117.07 2kd0 s LEU 26 Ca 0.35 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 2kd0 s LEU 26 Cb -0.11 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.61 2kd0 s LEU 26 CO 0.25 0.13 0.70 -0.44 0.23 0.00 0.00 176.35 177.23 2kd0 s SER 27 N 0.54 6.26 0.44 2.29 0.01 -1.26 -0.31 113.70 121.67 2kd0 s SER 27 Ca -0.10 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.44 2kd0 s SER 27 Cb -0.16 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2kd0 s SER 27 CO 0.04 -0.97 0.13 0.68 0.41 0.00 0.00 173.24 173.53 2kd0 s VAL 28 N 2.95 0.57 -0.07 3.43 -7.23 -0.13 -4.84 120.40 115.08 2kd0 s VAL 28 Ca 0.19 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 2kd0 s VAL 28 Cb -0.17 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2kd0 s VAL 28 CO 0.14 0.00 0.55 -0.44 -0.31 0.00 0.00 175.10 175.04 2kd0 s SER 29 N -3.68 6.82 0.52 4.85 0.01 -1.26 -0.47 113.70 120.49 2kd0 s SER 29 Ca 0.18 0.98 0.27 0.00 1.31 0.00 0.00 55.95 58.69 2kd0 s SER 29 Cb 0.01 -2.33 1.43 0.00 0.21 0.00 0.00 66.02 65.34 2kd0 s SER 29 CO 0.13 0.01 2.07 1.55 0.41 0.00 0.00 173.24 177.41 2kd0 h PRO 30 N 6.38 0.00 0.00 12.44 0.13 -1.93 -2.22 132.00 146.80 2kd0 h PRO 30 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kd0 h PRO 30 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kd0 h PRO 30 CO 0.73 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.37 2kd0 n ASP 31 N -3.65 0.00 -4.83 1.44 8.00 -1.26 -0.82 116.55 115.43 2kd0 n ASP 31 Ca -0.02 0.25 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 2kd0 n ASP 31 Cb 0.24 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 2kd0 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kd0 s THR 33 N -2.43 4.66 -0.04 0.00 -4.23 -1.26 -2.20 115.64 110.14 2kd0 s THR 33 Ca 0.61 0.91 0.31 0.00 -1.18 0.00 0.00 61.69 62.33 2kd0 s THR 33 Cb -0.10 -3.72 0.33 0.00 1.34 0.00 0.00 72.50 70.35 2kd0 s THR 33 CO 0.25 -0.60 1.92 -0.37 -0.54 0.00 0.00 174.62 175.28 2kd0 h VAL 34 N 1.02 0.00 -0.20 2.29 -1.51 -1.15 -1.53 116.25 115.17 2kd0 h VAL 34 Ca -0.47 -0.28 -0.12 0.00 -1.23 0.00 0.00 66.70 64.60 2kd0 h VAL 34 Cb 1.19 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 2kd0 h VAL 34 CO 0.63 0.00 -0.39 0.50 -1.23 0.00 0.00 177.57 177.08 2kd0 h LYS 35 N 0.00 0.45 -0.58 5.19 3.64 -1.76 -2.72 116.57 120.79 2kd0 h LYS 35 Ca 0.00 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 2kd0 h LYS 35 Cb 0.32 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2kd0 h LYS 35 CO 0.00 0.77 0.13 0.22 -2.27 0.00 0.00 179.45 178.30 2kd0 h ASP 36 N 0.37 0.89 -0.60 4.20 1.82 -1.58 -2.83 116.42 118.69 2kd0 h ASP 36 Ca 0.04 -0.24 0.11 0.00 -0.39 0.00 0.00 57.03 56.55 2kd0 h ASP 36 Cb 0.85 -0.23 -0.09 0.00 0.68 0.00 0.00 39.33 40.54 2kd0 h ASP 36 CO 0.07 0.90 0.14 -0.07 -1.61 0.00 0.00 179.24 178.67 2kd0 h LEU 37 N 0.84 0.02 -0.93 2.28 3.38 -1.37 0.76 115.31 120.29 2kd0 h LEU 37 Ca 0.18 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.43 2kd0 h LEU 37 Cb 0.36 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 2kd0 h LEU 37 CO 0.00 0.02 0.52 0.11 0.09 0.00 0.00 178.44 179.18 2kd0 h LYS 38 N 0.27 0.68 0.00 1.13 1.57 -1.24 -0.30 116.57 118.68 2kd0 h LYS 38 Ca 0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2kd0 h LYS 38 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2kd0 h LYS 38 CO -0.40 0.45 -0.30 0.45 -0.57 0.00 0.00 179.45 179.08 2kd0 n SER 39 N -4.82 0.67 0.11 0.86 2.88 -0.30 -1.57 113.62 111.45 2kd0 n SER 39 Ca 0.20 0.31 -0.24 0.00 -1.33 0.00 0.00 58.87 57.82 2kd0 n SER 39 Cb 0.50 -0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 63.52 2kd0 n SER 39 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kd0 h GLN 40 N 0.00 0.47 0.03 -1.46 4.20 0.66 -3.36 115.11 115.66 2kd0 h GLN 40 Ca 0.00 -0.81 -0.21 0.00 0.06 0.00 0.00 58.65 57.69 2kd0 h GLN 40 Cb 0.70 0.30 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2kd0 h GLN 40 CO 0.00 1.39 -0.98 -0.07 -0.67 0.00 0.00 178.83 178.50 2kd0 h LEU 41 N 0.10 0.17 -0.43 1.46 3.38 -1.19 -3.39 115.31 115.40 2kd0 h LEU 41 Ca -0.29 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.61 2kd0 h LEU 41 Cb 2.11 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.72 2kd0 h LEU 41 CO 0.23 1.05 -0.26 -0.61 0.09 0.00 0.00 178.44 178.94 2kd0 h GLN 42 N 0.05 -0.17 0.00 1.13 4.15 -1.43 0.14 115.11 118.99 2kd0 h GLN 42 Ca -0.05 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2kd0 h GLN 42 Cb 1.67 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.40 2kd0 h GLN 42 CO 0.14 -0.11 0.00 -1.00 -1.93 0.00 0.00 178.83 175.93 2kd0 h PRO 43 N -0.17 0.00 0.00 -2.39 0.13 -1.75 0.22 132.00 128.04 2kd0 h PRO 43 Ca 0.20 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.18 2kd0 h PRO 43 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2kd0 h PRO 43 CO -0.53 0.00 -1.01 -0.89 -0.23 0.00 0.00 178.00 175.34 2kd0 n ILE 44 N -2.46 1.49 1.00 -3.56 5.41 -0.13 -4.58 119.36 116.53 2kd0 n ILE 44 Ca 0.01 0.06 0.11 0.00 1.00 0.00 0.00 62.75 63.93 2kd0 n ILE 44 Cb 0.22 -2.17 -0.04 0.00 -0.71 0.00 0.00 39.64 36.94 2kd0 n ILE 44 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2kd0 n THR 45 N -4.50 0.00 -0.88 1.39 -2.24 0.30 -4.97 114.28 103.39 2kd0 n THR 45 Ca -0.23 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2kd0 n THR 45 Cb 0.53 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 2kd0 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kd0 n ASN 46 N -0.56 -2.41 -4.71 3.42 3.02 0.77 -4.98 115.26 109.81 2kd0 n ASN 46 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2kd0 n ASN 46 Cb 0.42 -1.66 -0.03 0.00 -0.61 0.00 0.00 39.78 37.90 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 -1.96 4.70 0.32 2.41 1.01 -1.25 -5.01 120.40 120.62 2kd0 s VAL 47 Ca 0.00 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.63 2kd0 s VAL 47 Cb 0.00 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 2kd0 s VAL 47 CO 0.00 0.15 1.47 -0.76 0.00 0.00 0.00 175.10 175.96 2kd0 s LEU 48 N 1.01 4.36 0.56 3.92 1.43 -1.26 -4.38 118.68 124.32 2kd0 s LEU 48 Ca 0.53 2.87 0.28 0.00 -1.03 0.00 0.00 54.13 56.78 2kd0 s LEU 48 Cb -0.23 -3.65 1.47 0.00 0.03 0.00 0.00 46.19 43.82 2kd0 s LEU 48 CO 0.28 -0.78 1.96 1.55 0.23 0.00 0.00 176.35 179.60 2kd0 h PRO 49 N 3.96 0.00 0.29 1.29 0.13 -1.92 -0.24 132.00 135.51 2kd0 h PRO 49 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2kd0 h PRO 49 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2kd0 h PRO 49 CO 0.71 0.00 -0.19 -0.09 -0.23 0.00 0.00 178.00 178.20 2kd0 h ARG 50 N 0.00 -0.46 -0.17 0.86 2.43 -1.98 -3.18 114.38 111.89 2kd0 h ARG 50 Ca 0.24 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 2kd0 h ARG 50 Cb 1.10 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2kd0 h ARG 50 CO -0.00 -0.30 -0.44 0.78 -1.51 0.00 0.00 179.97 178.49 2kd0 h GLY 51 N -0.47 0.47 -7.25 2.80 0.00 -1.47 -3.40 103.07 93.75 2kd0 h GLY 51 Ca -0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 2kd0 h GLY 51 CO 0.02 0.43 0.15 1.20 0.00 0.00 0.00 176.54 178.34 2kd0 s GLN 52 N -4.13 1.56 -0.69 4.80 -0.21 -0.44 -4.44 119.66 116.11 2kd0 s GLN 52 Ca -0.06 -0.02 -0.16 0.00 0.02 0.00 0.00 55.36 55.13 2kd0 s GLN 52 Cb 0.12 -4.91 0.15 0.00 1.00 0.00 0.00 33.01 29.38 2kd0 s GLN 52 CO 0.81 -4.75 0.71 0.15 -2.12 0.00 0.00 175.29 170.08 2kd0 s LYS 53 N 8.44 3.27 -0.30 2.91 1.02 -1.12 -4.95 119.74 129.02 2kd0 s LYS 53 Ca 0.85 -1.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 2kd0 s LYS 53 Cb -0.09 -4.40 -0.01 0.00 -0.52 0.00 0.00 37.83 32.81 2kd0 s LYS 53 CO 0.11 -1.43 1.56 -0.51 -0.92 0.00 0.00 175.35 174.17 2kd0 s LEU 54 N 1.57 3.73 -0.30 3.17 1.43 -1.26 -1.38 118.68 125.63 2kd0 s LEU 54 Ca 0.13 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2kd0 s LEU 54 Cb -0.19 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.57 2kd0 s LEU 54 CO -0.01 -1.38 -0.02 -0.63 0.23 0.00 0.00 176.35 174.54 2kd0 s ILE 55 N 5.52 2.48 -0.20 -0.59 1.01 0.10 -1.20 121.20 128.32 2kd0 s ILE 55 Ca 0.69 -1.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 2kd0 s ILE 55 Cb -0.20 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 2kd0 s ILE 55 CO 0.30 -0.25 -0.03 0.12 0.00 0.00 0.00 174.94 175.08 2kd0 s PHE 56 N 1.09 2.99 -1.80 3.97 5.36 0.90 -0.77 117.98 129.72 2kd0 s PHE 56 Ca -0.01 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.30 2kd0 s PHE 56 Cb -0.20 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 2kd0 s PHE 56 CO -0.05 -0.36 0.00 1.63 -1.46 0.00 0.00 175.22 174.99 2kd0 n LYS 57 N 4.41 -1.43 -0.02 10.12 4.76 -1.26 -0.53 118.16 134.20 2kd0 n LYS 57 Ca -0.18 1.09 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 2kd0 n LYS 57 Cb 0.51 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 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 -0.38 0.74 3.78 0.72 0.00 -1.26 -5.06 105.19 103.72 2kd0 n GLY 58 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.75 4.19 -0.21 1.61 2.20 0.31 -5.04 119.74 122.05 2kd0 s LYS 59 Ca 0.00 0.56 -0.20 0.00 -0.36 0.00 0.00 55.97 55.98 2kd0 s LYS 59 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2kd0 s LYS 59 CO 0.00 0.46 0.58 0.54 -0.36 0.00 0.00 175.35 176.57 2kd0 s VAL 60 N -0.41 5.05 -0.36 4.02 0.11 -1.26 -0.07 120.40 127.47 2kd0 s VAL 60 Ca 0.27 1.08 -0.29 0.00 -2.93 0.00 0.00 61.98 60.11 2kd0 s VAL 60 Cb -0.17 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2kd0 s VAL 60 CO 0.15 0.13 1.37 -0.76 -3.33 0.00 0.00 175.10 172.66 2kd0 s LEU 61 N 1.87 3.71 0.26 2.54 2.01 -0.34 -4.99 118.68 123.74 2kd0 s LEU 61 Ca 0.26 0.99 -0.30 0.00 0.01 0.00 0.00 54.13 55.09 2kd0 s LEU 61 Cb -0.16 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.40 2kd0 s LEU 61 CO 0.10 -1.29 1.41 -0.69 1.01 0.00 0.00 176.35 176.89 2kd0 s VAL 62 N 5.01 2.67 0.27 -1.59 1.01 -1.26 -4.81 120.40 121.70 2kd0 s VAL 62 Ca 0.59 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 2kd0 s VAL 62 Cb -0.15 -3.37 0.29 0.00 0.00 0.00 0.00 36.38 33.14 2kd0 s VAL 62 CO 0.29 0.10 1.66 -0.33 0.00 0.00 0.00 175.10 176.82 2kd0 h GLU 63 N 4.70 0.21 0.00 2.72 5.08 -1.94 0.11 114.58 125.46 2kd0 h GLU 63 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2kd0 h GLU 63 Cb 1.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kd0 h GLU 63 CO 0.75 0.14 0.00 0.25 -1.00 0.00 0.00 179.01 179.15 2kd0 n THR 64 N -5.22 0.75 -2.79 1.13 -2.24 -1.26 -2.67 114.28 101.98 2kd0 n THR 64 Ca 0.18 0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.72 2kd0 n THR 64 Cb 0.58 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.24 7.44 0.36 3.42 0.15 0.37 -4.90 113.70 117.30 2kd0 s SER 65 Ca 0.08 1.72 -0.03 0.00 0.70 0.00 0.00 55.95 58.42 2kd0 s SER 65 Cb 0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2kd0 s SER 65 CO 0.35 -0.04 0.60 0.42 1.20 0.00 0.00 173.24 175.77 2kd0 s THR 66 N -0.03 5.03 0.27 6.45 -4.23 -1.26 -1.07 115.64 120.80 2kd0 s THR 66 Ca 0.45 -0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 2kd0 s THR 66 Cb -0.23 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.06 2kd0 s THR 66 CO 0.28 -0.55 1.87 -0.07 -0.54 0.00 0.00 174.62 175.62 2kd0 h LEU 67 N 0.94 1.02 -0.68 4.79 -0.00 -1.33 -1.48 115.31 118.56 2kd0 h LEU 67 Ca -0.48 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.36 2kd0 h LEU 67 Cb 1.21 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.64 2kd0 h LEU 67 CO 0.63 0.63 0.22 0.50 -0.00 0.00 0.00 178.44 180.42 2kd0 h LYS 68 N 1.15 1.05 -0.26 1.13 3.64 -1.19 0.19 116.57 122.27 2kd0 h LYS 68 Ca 0.44 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2kd0 h LYS 68 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2kd0 h LYS 68 CO -0.19 0.91 -0.23 1.96 -2.27 0.00 0.00 179.45 179.63 2kd0 h GLN 69 N 0.99 0.49 -0.62 1.90 4.20 -1.57 -2.90 115.11 117.60 2kd0 h GLN 69 Ca 0.22 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kd0 h GLN 69 Cb 0.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2kd0 h GLN 69 CO -0.01 0.68 0.00 0.45 -0.67 0.00 0.00 178.83 179.29 2kd0 n SER 70 N -4.14 3.76 -1.76 1.46 2.88 -0.71 -4.93 113.62 110.19 2kd0 n SER 70 Ca -0.00 -2.27 -0.17 0.00 -1.33 0.00 0.00 58.87 55.10 2kd0 n SER 70 Cb 0.39 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.98 -4.97 -4.49 -3.46 8.00 -0.97 -4.96 116.55 106.68 2kd0 n ASP 71 Ca 0.21 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 2kd0 n ASP 71 Cb 0.68 -4.04 -0.03 0.00 -0.02 0.00 0.00 41.12 37.71 2kd0 n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kd0 s VAL 72 N -2.78 4.11 0.31 2.53 1.01 0.61 -5.01 120.40 121.18 2kd0 s VAL 72 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2kd0 s VAL 72 Cb 0.00 -4.78 0.05 0.00 0.00 0.00 0.00 36.38 31.65 2kd0 s VAL 72 CO 0.00 -1.62 0.40 0.61 0.00 0.00 0.00 175.10 174.50 2kd0 n GLY 73 N 5.39 2.08 3.62 4.51 0.00 -1.26 -4.44 105.19 115.10 2kd0 n GLY 73 Ca 0.00 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 2kd0 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kd0 s SER 74 N -2.91 5.93 0.00 1.61 1.04 -1.26 -2.06 113.70 116.05 2kd0 s SER 74 Ca 0.30 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.57 2kd0 s SER 74 Cb -0.02 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kd0 s SER 74 CO 0.19 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.43 2kd0 n GLY 75 N 5.23 0.94 3.78 7.32 0.00 0.14 -4.85 105.19 117.75 2kd0 n GLY 75 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 2.94 -0.24 4.61 0.00 -0.87 -4.85 121.76 121.35 2kd0 s ALA 76 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 2kd0 s ALA 76 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2kd0 s ALA 76 CO 0.00 -0.57 -0.09 0.15 0.00 0.00 0.00 175.76 175.25 2kd0 s LYS 77 N -2.80 2.77 -0.22 0.00 1.02 -1.26 -0.73 119.74 118.52 2kd0 s LYS 77 Ca 0.64 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 2kd0 s LYS 77 Cb -0.26 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 2kd0 s LYS 77 CO 0.31 -0.40 0.16 -0.51 -0.92 0.00 0.00 175.35 174.00 2kd0 s LEU 78 N 1.29 4.16 -0.66 3.17 1.43 0.14 -4.74 118.68 123.46 2kd0 s LEU 78 Ca -0.00 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 2kd0 s LEU 78 Cb -0.17 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2kd0 s LEU 78 CO -0.06 0.11 1.08 -0.32 0.23 0.00 0.00 176.35 177.39 2kd0 s MET 79 N 0.77 3.20 -0.46 1.70 -2.45 0.05 -0.65 119.30 121.46 2kd0 s MET 79 Ca 0.08 -0.47 -0.20 0.00 -1.25 0.00 0.00 55.69 53.85 2kd0 s MET 79 Cb -0.13 -4.17 0.03 0.00 1.25 0.00 0.00 34.83 31.82 2kd0 s MET 79 CO 0.02 -1.86 0.65 -1.17 1.05 0.00 0.00 175.02 173.70 2kd0 s LEU 80 N 4.66 4.61 -0.57 4.11 2.96 -0.84 -0.72 118.68 132.89 2kd0 s LEU 80 Ca 0.29 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.42 2kd0 s LEU 80 Cb -0.13 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 43.94 2kd0 s LEU 80 CO 0.14 -0.83 1.33 -0.32 -1.32 0.00 0.00 176.35 175.36 2kd0 s MET 81 N 2.81 3.38 0.04 1.98 -2.45 -0.48 -4.07 119.30 120.50 2kd0 s MET 81 Ca 0.21 0.36 0.03 0.00 -1.25 0.00 0.00 55.69 55.04 2kd0 s MET 81 Cb -0.15 -4.09 -0.02 0.00 1.25 0.00 0.00 34.83 31.82 2kd0 s MET 81 CO 0.17 -1.85 -0.11 0.00 1.05 0.00 0.00 175.02 174.28 2kd0 s ALA 82 N 5.64 0.85 -0.17 4.11 0.00 -1.26 -2.77 121.76 128.16 2kd0 s ALA 82 Ca 0.48 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 2kd0 s ALA 82 Cb -0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2kd0 s ALA 82 CO 0.25 0.11 0.14 0.45 0.00 0.00 0.00 175.76 176.71 2kd0 s SER 83 N -1.19 6.29 -0.08 0.00 0.15 -1.26 -4.97 113.70 112.64 2kd0 s SER 83 Ca -0.03 0.33 -0.23 0.00 0.70 0.00 0.00 55.95 56.73 2kd0 s SER 83 Cb -0.08 -2.08 -0.19 0.00 -1.71 0.00 0.00 66.02 61.96 2kd0 s SER 83 CO 0.01 0.27 0.86 -0.61 1.20 0.00 0.00 173.24 174.97 2kd0 h GLN 84 N 5.98 -0.08 0.00 5.44 5.75 -2.03 -3.51 115.11 126.66 2kd0 h GLN 84 Ca -0.47 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2kd0 h GLN 84 Cb 1.18 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2kd0 h GLN 84 CO 0.69 0.50 0.00 0.41 -2.65 0.00 0.00 178.83 177.78