#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 0.65 3.62 3.17 0.00 -1.26 -4.94 105.19 106.43 2kd0 n GLY 2 Ca 0.00 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2kd0 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kd0 s HIS 3 N 0.00 2.99 -0.71 1.61 0.09 -1.26 -4.96 115.29 113.05 2kd0 s HIS 3 Ca 0.00 0.94 -0.26 0.00 -0.00 0.00 0.00 55.06 55.74 2kd0 s HIS 3 Cb 0.00 -4.04 0.00 0.00 -0.00 0.00 0.00 32.58 28.54 2kd0 s HIS 3 CO 0.00 -1.01 1.58 -1.01 -0.00 0.00 0.00 174.74 174.30 2kd0 s HIS 4 N 4.02 1.99 -1.17 1.40 4.02 -1.26 -4.91 115.29 119.39 2kd0 s HIS 4 Ca 0.46 0.31 -0.23 0.00 1.02 0.00 0.00 55.06 56.63 2kd0 s HIS 4 Cb -0.10 -4.36 -0.07 0.00 -1.02 0.00 0.00 32.58 27.02 2kd0 s HIS 4 CO 0.23 -2.16 1.92 -1.58 1.02 0.00 0.00 174.74 174.17 2kd0 s HIS 5 N 7.40 2.00 0.85 1.40 2.46 -1.26 -4.95 115.29 123.18 2kd0 s HIS 5 Ca 0.52 0.34 -0.11 0.00 0.47 0.00 0.00 55.06 56.28 2kd0 s HIS 5 Cb -0.10 -4.06 0.10 0.00 -0.13 0.00 0.00 32.58 28.40 2kd0 s HIS 5 CO 0.15 -1.29 1.10 -3.38 -2.47 0.00 0.00 174.74 168.85 2kd0 s HIS 6 N 10.48 2.24 0.58 3.88 -0.00 -1.26 -5.03 115.29 126.17 2kd0 s HIS 6 Ca 0.67 1.54 -0.15 0.00 -0.00 0.00 0.00 55.06 57.12 2kd0 s HIS 6 Cb -0.01 -3.14 -0.05 0.00 -0.00 0.00 0.00 32.58 29.38 2kd0 s HIS 6 CO 0.12 -2.26 1.02 -1.01 -0.00 0.00 0.00 174.74 172.61 2kd0 s HIS 7 N -2.83 3.34 -0.14 0.38 3.76 -1.26 -5.00 115.29 113.54 2kd0 s HIS 7 Ca 0.63 1.44 0.18 0.00 -0.15 0.00 0.00 55.06 57.16 2kd0 s HIS 7 Cb -0.19 -2.84 -0.25 0.00 1.11 0.00 0.00 32.58 30.41 2kd0 s HIS 7 CO 0.57 -0.71 0.18 1.58 -0.85 0.00 0.00 174.74 175.50 2kd0 n HIS 8 N -2.10 0.00 -1.65 1.40 -0.00 -1.26 -4.74 115.22 106.87 2kd0 n HIS 8 Ca 0.07 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.80 2kd0 n HIS 8 Cb 0.54 -0.78 -0.04 0.00 -0.12 0.00 0.00 29.99 29.59 2kd0 n HIS 8 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kd0 n SER 9 N -2.54 3.62 -1.87 0.26 2.88 -1.26 -1.54 113.62 113.17 2kd0 n SER 9 Ca -0.22 0.78 -0.20 0.00 -1.33 0.00 0.00 58.87 57.90 2kd0 n SER 9 Cb 0.93 -1.45 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 2kd0 n SER 9 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kd0 n HIS 10 N 8.04 -0.46 -1.97 0.66 -0.00 -1.26 -4.95 115.22 115.28 2kd0 n HIS 10 Ca 0.24 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.55 2kd0 n HIS 10 Cb 0.36 -3.55 -0.02 0.00 -0.00 0.00 0.00 29.99 26.78 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 -2.46 6.59 -0.03 0.26 0.15 -0.59 -5.02 113.70 112.60 2kd0 s SER 11 Ca 0.00 2.78 0.06 0.00 0.70 0.00 0.00 55.95 59.49 2kd0 s SER 11 Cb 0.00 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2kd0 s SER 11 CO 0.00 -0.72 -0.21 0.42 1.20 0.00 0.00 173.24 173.93 2kd0 s THR 12 N -0.43 1.68 -0.01 6.45 -4.23 -1.26 -4.72 115.64 113.11 2kd0 s THR 12 Ca 0.57 -0.89 -0.23 0.00 -1.18 0.00 0.00 61.69 59.95 2kd0 s THR 12 Cb -0.43 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 2kd0 s THR 12 CO 0.49 0.47 0.70 0.27 -0.54 0.00 0.00 174.62 176.02 2kd0 s ILE 13 N -0.32 4.91 -0.52 2.99 -4.36 0.13 -4.81 121.20 119.21 2kd0 s ILE 13 Ca 0.04 1.47 -0.17 0.00 -0.26 0.00 0.00 60.65 61.73 2kd0 s ILE 13 Cb -0.10 -4.05 0.09 0.00 1.25 0.00 0.00 42.46 39.66 2kd0 s ILE 13 CO 0.01 0.32 0.53 -0.54 0.24 0.00 0.00 174.94 175.50 2kd0 s LYS 14 N 0.31 3.02 0.65 0.37 1.02 -1.26 -1.54 119.74 122.31 2kd0 s LYS 14 Ca 0.37 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 55.01 2kd0 s LYS 14 Cb -0.19 -4.20 0.10 0.00 -0.52 0.00 0.00 37.83 33.02 2kd0 s LYS 14 CO 0.20 -1.26 0.89 -0.51 -0.92 0.00 0.00 175.35 173.75 2kd0 s LEU 15 N 2.01 3.08 -0.25 3.17 1.43 0.91 -0.42 118.68 128.60 2kd0 s LEU 15 Ca 0.07 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2kd0 s LEU 15 Cb -0.25 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.05 2kd0 s LEU 15 CO 0.06 -1.59 0.15 -0.89 0.23 0.00 0.00 176.35 174.31 2kd0 s THR 16 N -2.93 -0.13 0.03 5.49 2.01 -0.29 -0.77 115.64 119.04 2kd0 s THR 16 Ca 0.64 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 2kd0 s THR 16 Cb -0.06 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 2kd0 s THR 16 CO 0.42 -0.54 0.33 0.54 -0.69 0.00 0.00 174.62 174.68 2kd0 s VAL 17 N 2.16 5.20 -0.45 3.82 0.11 0.30 -0.68 120.40 130.86 2kd0 s VAL 17 Ca 0.07 0.36 -0.23 0.00 -2.93 0.00 0.00 61.98 59.25 2kd0 s VAL 17 Cb -0.16 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.11 2kd0 s VAL 17 CO -0.27 0.37 0.77 -0.54 -3.33 0.00 0.00 175.10 172.10 2kd0 s LYS 18 N -1.70 3.40 -1.30 1.54 1.02 0.47 -0.38 119.74 122.79 2kd0 s LYS 18 Ca 0.29 -0.12 -0.09 0.00 0.02 0.00 0.00 55.97 56.07 2kd0 s LYS 18 Cb -0.14 -3.94 0.15 0.00 -0.52 0.00 0.00 37.83 33.39 2kd0 s LYS 18 CO 0.16 -1.10 1.98 1.19 -0.92 0.00 0.00 175.35 176.65 2kd0 n PHE 19 N 6.67 2.87 0.00 3.18 3.72 0.12 -1.70 117.46 132.32 2kd0 n PHE 19 Ca 0.02 -2.80 0.00 0.00 -0.05 0.00 0.00 57.45 54.62 2kd0 n PHE 19 Cb 0.48 -1.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.08 2kd0 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kd0 n GLY 20 N 2.65 0.78 0.83 1.37 0.00 -1.26 -1.67 105.19 107.89 2kd0 n GLY 20 Ca 0.44 0.45 0.11 0.00 0.00 0.00 0.00 46.02 47.02 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 0.93 3.74 -0.02 0.00 -1.26 -4.92 105.19 103.65 2kd0 n GLY 21 Ca 0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.69 2.86 -0.34 1.61 -0.14 -0.67 -5.10 119.74 116.27 2kd0 s LYS 22 Ca 0.35 -0.63 0.04 0.00 -1.36 0.00 0.00 55.97 54.36 2kd0 s LYS 22 Cb 0.20 -2.72 0.10 0.00 -1.68 0.00 0.00 37.83 33.73 2kd0 s LYS 22 CO 0.29 0.60 0.04 -1.54 -0.76 0.00 0.00 175.35 173.99 2kd0 s SER 23 N -1.95 4.76 -0.28 2.83 1.04 -1.26 0.12 113.70 118.96 2kd0 s SER 23 Ca 0.24 -2.10 -0.12 0.00 0.48 0.00 0.00 55.95 54.46 2kd0 s SER 23 Cb -0.12 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 64.32 2kd0 s SER 23 CO 0.16 -0.37 0.22 -0.63 0.98 0.00 0.00 173.24 173.59 2kd0 s ILE 24 N 0.92 5.29 0.05 -1.02 -1.09 0.49 -4.88 121.20 120.96 2kd0 s ILE 24 Ca 0.09 0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 58.43 2kd0 s ILE 24 Cb -0.19 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 2kd0 s ILE 24 CO -0.08 0.23 1.10 -2.16 -1.23 0.00 0.00 174.94 172.80 2kd0 s PRO 25 N 1.80 4.51 -0.09 2.79 0.04 -1.26 -0.54 135.00 142.24 2kd0 s PRO 25 Ca 0.08 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.76 2kd0 s PRO 25 Cb -0.16 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.01 2kd0 s PRO 25 CO 0.11 -0.13 -0.13 -0.51 0.04 0.00 0.00 177.00 176.38 2kd0 s LEU 26 N 0.88 1.62 -0.43 -3.56 1.43 0.05 -4.95 118.68 113.72 2kd0 s LEU 26 Ca 0.55 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 2kd0 s LEU 26 Cb -0.26 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.08 2kd0 s LEU 26 CO 0.29 0.01 0.31 -0.94 0.23 0.00 0.00 176.35 176.25 2kd0 s SER 27 N 0.92 5.88 0.36 2.29 1.04 -1.26 -0.06 113.70 122.86 2kd0 s SER 27 Ca -0.09 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.06 2kd0 s SER 27 Cb -0.15 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 2kd0 s SER 27 CO 0.00 -0.55 0.16 0.68 0.98 0.00 0.00 173.24 174.51 2kd0 s VAL 28 N 1.54 0.43 -0.16 5.02 -7.23 -0.59 -4.89 120.40 114.52 2kd0 s VAL 28 Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 2kd0 s VAL 28 Cb -0.23 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2kd0 s VAL 28 CO 0.05 0.00 0.21 -0.44 -0.31 0.00 0.00 175.10 174.61 2kd0 s SER 29 N -3.48 6.35 0.55 4.85 0.01 -1.26 0.17 113.70 120.89 2kd0 s SER 29 Ca 0.31 0.41 0.23 0.00 1.31 0.00 0.00 55.95 58.21 2kd0 s SER 29 Cb 0.04 -2.13 1.53 0.00 0.21 0.00 0.00 66.02 65.67 2kd0 s SER 29 CO 0.18 0.19 2.19 1.55 0.41 0.00 0.00 173.24 177.76 2kd0 h PRO 30 N 6.32 0.00 0.00 12.44 0.13 -1.91 -1.64 132.00 147.35 2kd0 h PRO 30 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kd0 h PRO 30 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kd0 h PRO 30 CO 0.72 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.26 2kd0 n ASP 31 N -4.16 0.00 -4.81 1.44 8.00 -1.26 -0.85 116.55 114.90 2kd0 n ASP 31 Ca -0.03 0.32 -0.33 0.00 0.71 0.00 0.00 54.79 55.46 2kd0 n ASP 31 Cb 0.10 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.11 4.79 0.21 0.00 -4.23 -1.26 -2.70 115.64 110.35 2kd0 s THR 33 Ca 0.62 0.60 0.30 0.00 -1.18 0.00 0.00 61.69 62.04 2kd0 s THR 33 Cb -0.11 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.21 2kd0 s THR 33 CO 0.15 -0.96 1.98 -0.37 -0.54 0.00 0.00 174.62 174.88 2kd0 h VAL 34 N 0.06 0.27 -0.03 2.29 -1.51 -1.29 -1.24 116.25 114.80 2kd0 h VAL 34 Ca -0.46 -0.66 -0.21 0.00 -1.23 0.00 0.00 66.70 64.14 2kd0 h VAL 34 Cb 1.20 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2kd0 h VAL 34 CO 0.62 0.09 -0.86 0.50 -1.23 0.00 0.00 177.57 176.69 2kd0 h LYS 35 N 0.00 0.40 -0.84 5.19 3.64 -1.81 -2.25 116.57 120.90 2kd0 h LYS 35 Ca -0.00 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 2kd0 h LYS 35 Cb 0.51 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2kd0 h LYS 35 CO 0.01 1.05 0.44 0.22 -2.27 0.00 0.00 179.45 178.90 2kd0 h ASP 36 N 0.24 1.06 -0.45 4.20 3.58 -1.67 -2.44 116.42 120.93 2kd0 h ASP 36 Ca -0.06 -0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.34 2kd0 h ASP 36 Cb 1.47 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 2kd0 h ASP 36 CO 0.15 0.86 0.16 -0.07 -2.88 0.00 0.00 179.24 177.47 2kd0 h LEU 37 N 1.17 0.18 -0.79 2.28 3.38 -1.16 -0.19 115.31 120.18 2kd0 h LEU 37 Ca 0.29 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.45 2kd0 h LEU 37 Cb 0.05 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 2kd0 h LEU 37 CO -0.04 0.13 0.37 0.11 0.09 0.00 0.00 178.44 179.10 2kd0 h LYS 38 N 0.34 0.53 -0.15 1.13 1.57 -0.98 0.22 116.57 119.23 2kd0 h LYS 38 Ca 0.21 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 2kd0 h LYS 38 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2kd0 h LYS 38 CO -0.21 0.35 -0.50 1.03 -0.57 0.00 0.00 179.45 179.54 2kd0 h SER 39 N 0.54 0.44 0.00 0.86 0.87 -0.93 -1.57 113.55 113.77 2kd0 h SER 39 Ca 0.42 -0.22 -0.24 0.00 -1.23 0.00 0.00 61.79 60.52 2kd0 h SER 39 Cb 0.59 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2kd0 h SER 39 CO -0.36 0.87 -0.93 1.56 -0.53 0.00 0.00 176.83 177.43 2kd0 h GLN 40 N 0.32 0.63 0.00 2.24 4.20 -0.06 -3.32 115.11 119.12 2kd0 h GLN 40 Ca 0.01 -0.68 -0.18 0.00 0.06 0.00 0.00 58.65 57.86 2kd0 h GLN 40 Cb 1.00 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 2kd0 h GLN 40 CO 0.09 1.27 -0.83 -0.07 -0.67 0.00 0.00 178.83 178.62 2kd0 h LEU 41 N 0.27 0.10 -0.38 1.46 3.38 -0.64 -3.37 115.31 116.14 2kd0 h LEU 41 Ca -0.12 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.85 2kd0 h LEU 41 Cb 1.60 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.24 2kd0 h LEU 41 CO 0.18 0.89 -0.18 -0.61 0.09 0.00 0.00 178.44 178.81 2kd0 h GLN 42 N 0.04 -0.11 0.00 1.13 4.15 -1.38 0.17 115.11 119.11 2kd0 h GLN 42 Ca -0.02 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2kd0 h GLN 42 Cb 1.45 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.17 2kd0 h GLN 42 CO 0.12 -0.07 0.00 -2.30 -1.93 0.00 0.00 178.83 174.64 2kd0 n PRO 43 N -5.36 0.09 -0.14 -2.39 -0.02 -1.26 -0.11 135.00 125.81 2kd0 n PRO 43 Ca 0.02 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 2kd0 n PRO 43 Cb 0.27 -1.71 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.89 1.53 0.33 4.25 5.41 -0.06 -4.64 119.36 124.28 2kd0 n ILE 44 Ca 0.01 -0.35 0.12 0.00 1.00 0.00 0.00 62.75 63.53 2kd0 n ILE 44 Cb 0.11 -1.91 0.07 0.00 -0.71 0.00 0.00 39.64 37.20 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 -1.00 0.00 -0.36 1.39 1.35 -0.74 -3.48 112.91 110.07 2kd0 h THR 45 Ca -0.66 -0.76 -0.16 0.00 -0.55 0.00 0.00 66.41 64.29 2kd0 h THR 45 Cb 1.57 1.28 -0.06 0.00 -1.73 0.00 0.00 68.15 69.22 2kd0 h THR 45 CO -0.40 0.00 -0.14 0.59 -0.25 0.00 0.00 175.52 175.32 2kd0 n ASN 46 N -2.41 -4.41 -4.90 5.36 3.02 0.85 -5.01 115.26 107.76 2kd0 n ASN 46 Ca 0.02 0.19 -0.34 0.00 -0.03 0.00 0.00 54.58 54.42 2kd0 n ASN 46 Cb 0.50 -2.58 -0.05 0.00 -0.61 0.00 0.00 39.78 37.03 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 -2.12 5.42 0.42 2.41 0.11 -1.26 -5.06 120.40 120.33 2kd0 s VAL 47 Ca 0.00 -0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 58.77 2kd0 s VAL 47 Cb 0.00 -3.53 -0.10 0.00 -1.53 0.00 0.00 36.38 31.22 2kd0 s VAL 47 CO 0.00 0.36 1.00 -0.76 -3.33 0.00 0.00 175.10 172.37 2kd0 s LEU 48 N -1.82 4.01 0.61 2.54 1.43 -1.26 -4.55 118.68 119.64 2kd0 s LEU 48 Ca 0.26 1.86 0.30 0.00 -1.03 0.00 0.00 54.13 55.53 2kd0 s LEU 48 Cb -0.13 -4.39 1.73 0.00 0.03 0.00 0.00 46.19 43.43 2kd0 s LEU 48 CO 0.17 -0.47 2.10 1.55 0.23 0.00 0.00 176.35 179.93 2kd0 h PRO 49 N 2.12 0.00 -0.17 1.29 0.13 -1.94 -0.31 132.00 133.11 2kd0 h PRO 49 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2kd0 h PRO 49 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kd0 h PRO 49 CO 0.61 0.00 -0.63 -0.09 -0.23 0.00 0.00 178.00 177.66 2kd0 h ARG 50 N 0.00 0.62 0.00 0.86 2.43 -1.99 -3.25 114.38 113.05 2kd0 h ARG 50 Ca 0.07 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 2kd0 h ARG 50 Cb 0.48 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2kd0 h ARG 50 CO -0.00 1.06 -0.34 0.78 -1.51 0.00 0.00 179.97 179.95 2kd0 h GLY 51 N 0.95 0.00 -7.22 2.80 0.00 -1.45 -3.42 103.07 94.73 2kd0 h GLY 51 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.94 2kd0 h GLY 51 CO 0.12 0.00 0.94 1.20 0.00 0.00 0.00 176.54 178.80 2kd0 s GLN 52 N -3.16 2.79 -0.58 4.80 -0.21 -0.84 -4.07 119.66 118.39 2kd0 s GLN 52 Ca 0.05 -0.42 -0.22 0.00 0.02 0.00 0.00 55.36 54.79 2kd0 s GLN 52 Cb 0.06 -5.08 0.06 0.00 1.00 0.00 0.00 33.01 29.06 2kd0 s GLN 52 CO 0.71 -3.07 0.84 0.15 -2.12 0.00 0.00 175.29 171.80 2kd0 s LYS 53 N 6.55 3.17 -0.47 2.91 1.02 -1.23 -4.98 119.74 126.71 2kd0 s LYS 53 Ca 0.64 -0.75 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 2kd0 s LYS 53 Cb -0.06 -4.15 0.03 0.00 -0.52 0.00 0.00 37.83 33.13 2kd0 s LYS 53 CO -0.01 -1.54 0.84 -0.51 -0.92 0.00 0.00 175.35 173.21 2kd0 s LEU 54 N 3.49 4.17 -0.07 3.17 1.43 -1.26 -1.01 118.68 128.60 2kd0 s LEU 54 Ca 0.21 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2kd0 s LEU 54 Cb -0.17 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 2kd0 s LEU 54 CO 0.13 -0.99 -0.20 -0.63 0.23 0.00 0.00 176.35 174.88 2kd0 s ILE 55 N 3.50 2.54 -0.18 -0.59 1.01 0.11 -0.39 121.20 127.20 2kd0 s ILE 55 Ca 0.32 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 2kd0 s ILE 55 Cb -0.12 -1.97 0.06 0.00 0.01 0.00 0.00 42.46 40.45 2kd0 s ILE 55 CO 0.23 0.57 0.43 0.12 0.00 0.00 0.00 174.94 176.29 2kd0 s PHE 56 N -0.27 -0.66 -1.60 3.97 5.36 -0.64 -0.86 117.98 123.28 2kd0 s PHE 56 Ca 0.01 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 2kd0 s PHE 56 Cb -0.13 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 2kd0 s PHE 56 CO 0.03 -0.37 0.00 1.63 -1.46 0.00 0.00 175.22 175.04 2kd0 n LYS 57 N 4.40 -1.81 -0.06 10.12 4.76 -1.26 -1.43 118.16 132.88 2kd0 n LYS 57 Ca -0.21 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 2kd0 n LYS 57 Cb 0.55 -5.52 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 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 -0.88 1.28 3.56 0.72 0.00 -1.26 -5.04 105.19 103.57 2kd0 n GLY 58 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.54 3.87 -0.44 1.61 2.20 -0.52 -5.06 119.74 120.86 2kd0 s LYS 59 Ca 0.00 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.95 2kd0 s LYS 59 Cb 0.00 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2kd0 s LYS 59 CO 0.00 0.02 1.48 0.08 -0.36 0.00 0.00 175.35 176.56 2kd0 s VAL 60 N 1.10 3.81 -0.24 4.02 1.01 -1.26 -1.62 120.40 127.21 2kd0 s VAL 60 Ca 0.05 0.79 -0.33 0.00 0.00 0.00 0.00 61.98 62.49 2kd0 s VAL 60 Cb -0.14 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 2kd0 s VAL 60 CO 0.04 -0.81 2.10 0.18 0.00 0.00 0.00 175.10 176.61 2kd0 n LEU 61 N 9.32 2.81 -4.77 3.92 7.99 0.48 -4.93 117.00 131.81 2kd0 n LEU 61 Ca 0.17 0.53 -0.41 0.00 -0.01 0.00 0.00 56.01 56.29 2kd0 n LEU 61 Cb 0.48 -1.37 -0.01 0.00 -0.11 0.00 0.00 43.42 42.41 2kd0 n LEU 61 CO 0.70 -0.52 1.05 -0.69 -1.51 0.00 0.00 177.39 176.42 2kd0 s VAL 62 N 6.60 2.40 0.53 4.08 1.01 -1.26 -4.80 120.40 128.95 2kd0 s VAL 62 Ca 1.02 0.40 0.21 0.00 0.00 0.00 0.00 61.98 63.62 2kd0 s VAL 62 Cb -0.68 -3.25 0.34 0.00 0.00 0.00 0.00 36.38 32.79 2kd0 s VAL 62 CO 0.47 0.09 2.06 -0.33 0.00 0.00 0.00 175.10 177.39 2kd0 h GLU 63 N 3.17 0.00 -0.22 2.72 5.08 -1.95 0.17 114.58 123.55 2kd0 h GLU 63 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2kd0 h GLU 63 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kd0 h GLU 63 CO 0.65 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.91 2kd0 n THR 64 N -4.44 0.21 -4.29 1.13 -2.24 -1.26 -3.81 114.28 99.59 2kd0 n THR 64 Ca 0.04 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 2kd0 n THR 64 Cb 0.39 0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.90 5.02 0.47 3.42 0.15 0.60 -5.03 113.70 117.43 2kd0 s SER 65 Ca 0.09 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.76 2kd0 s SER 65 Cb 0.05 -1.27 0.03 0.00 -1.71 0.00 0.00 66.02 63.11 2kd0 s SER 65 CO 0.06 0.26 0.58 0.42 1.20 0.00 0.00 173.24 175.76 2kd0 s THR 66 N -1.11 2.64 0.17 6.45 -4.23 -1.26 -1.07 115.64 117.23 2kd0 s THR 66 Ca 0.20 -1.09 -0.10 0.00 -1.18 0.00 0.00 61.69 59.52 2kd0 s THR 66 Cb -0.11 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.04 2kd0 s THR 66 CO 0.11 0.00 1.62 -0.07 -0.54 0.00 0.00 174.62 175.74 2kd0 h LEU 67 N 0.60 0.99 -0.62 4.79 -0.00 -1.38 -2.93 115.31 116.76 2kd0 h LEU 67 Ca -0.37 -0.32 0.04 0.00 -0.00 0.00 0.00 57.88 57.23 2kd0 h LEU 67 Cb 1.28 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 2kd0 h LEU 67 CO 0.47 1.07 0.36 0.50 -0.00 0.00 0.00 178.44 180.84 2kd0 h LYS 68 N 0.89 0.68 0.00 1.13 3.64 -1.24 0.52 116.57 122.18 2kd0 h LYS 68 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kd0 h LYS 68 Cb 0.57 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2kd0 h LYS 68 CO 0.03 0.45 0.00 1.04 -2.27 0.00 0.00 179.45 178.70 2kd0 n GLN 69 N -4.76 0.21 -0.25 1.90 6.02 -1.18 -2.31 117.38 117.01 2kd0 n GLN 69 Ca 0.07 0.39 0.07 0.00 -0.01 0.00 0.00 57.00 57.51 2kd0 n GLN 69 Cb 0.12 -1.86 0.20 0.00 1.02 0.00 0.00 30.24 29.72 2kd0 n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kd0 n SER 70 N -2.25 3.26 -1.95 1.08 2.88 -0.74 -4.95 113.62 110.96 2kd0 n SER 70 Ca 0.03 -2.08 -0.19 0.00 -1.33 0.00 0.00 58.87 55.29 2kd0 n SER 70 Cb 0.27 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.70 -5.47 -4.53 -3.46 9.92 -0.79 -4.94 116.55 107.98 2kd0 n ASP 71 Ca 0.15 0.15 -0.41 0.00 -0.53 0.00 0.00 54.79 54.15 2kd0 n ASP 71 Cb 0.51 -4.56 -0.03 0.00 -0.64 0.00 0.00 41.12 36.40 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 -2.88 3.88 0.46 2.53 1.01 0.10 -5.01 120.40 120.50 2kd0 s VAL 72 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.20 2kd0 s VAL 72 Cb 0.00 -4.88 0.02 0.00 0.00 0.00 0.00 36.38 31.52 2kd0 s VAL 72 CO 0.00 -1.77 0.53 -0.83 0.00 0.00 0.00 175.10 173.03 2kd0 s GLY 73 N 3.80 2.02 0.08 4.51 0.00 -1.26 -4.57 107.32 111.91 2kd0 s GLY 73 Ca 0.33 -1.80 -0.33 0.00 0.00 0.00 0.00 44.72 42.92 2kd0 s GLY 73 CO 0.12 -1.65 1.72 -1.26 0.00 0.00 0.00 173.10 172.03 2kd0 n SER 74 N -1.81 3.40 0.00 1.64 2.88 -1.26 -1.71 113.62 116.76 2kd0 n SER 74 Ca 0.07 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2kd0 n SER 74 Cb 0.61 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2kd0 n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kd0 n GLY 75 N 3.88 0.55 3.74 0.46 0.00 0.44 -4.88 105.19 109.38 2kd0 n GLY 75 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 3.35 -0.37 4.61 0.00 -0.69 -4.84 121.76 121.82 2kd0 s ALA 76 Ca 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 2kd0 s ALA 76 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 2kd0 s ALA 76 CO 0.00 -0.02 0.24 0.15 0.00 0.00 0.00 175.76 176.13 2kd0 s LYS 77 N -0.81 3.15 0.52 0.00 1.02 -1.26 -1.14 119.74 121.23 2kd0 s LYS 77 Ca 0.45 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.59 2kd0 s LYS 77 Cb -0.28 -3.82 0.03 0.00 -0.52 0.00 0.00 37.83 33.24 2kd0 s LYS 77 CO 0.34 -0.60 0.73 -0.51 -0.92 0.00 0.00 175.35 174.40 2kd0 s LEU 78 N 1.66 3.37 -0.10 3.17 1.43 0.15 -4.84 118.68 123.50 2kd0 s LEU 78 Ca 0.05 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2kd0 s LEU 78 Cb -0.18 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.19 2kd0 s LEU 78 CO 0.09 -1.04 -0.11 -0.32 0.23 0.00 0.00 176.35 175.20 2kd0 s MET 79 N -4.68 1.77 -0.49 1.70 -2.45 -0.04 -0.40 119.30 114.72 2kd0 s MET 79 Ca 0.56 -0.38 -0.10 0.00 -1.25 0.00 0.00 55.69 54.51 2kd0 s MET 79 Cb -0.10 -1.65 0.12 0.00 1.25 0.00 0.00 34.83 34.45 2kd0 s MET 79 CO 0.38 -0.15 0.38 -1.17 1.05 0.00 0.00 175.02 175.50 2kd0 s LEU 80 N 1.28 5.80 -1.30 4.11 2.96 -0.69 -0.71 118.68 130.14 2kd0 s LEU 80 Ca -0.02 -1.92 -0.16 0.00 -0.22 0.00 0.00 54.13 51.81 2kd0 s LEU 80 Cb -0.14 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.60 2kd0 s LEU 80 CO -0.04 -0.72 1.75 0.80 -1.32 0.00 0.00 176.35 176.82 2kd0 n MET 81 N 4.94 3.22 -4.34 1.98 0.00 -0.18 -4.43 117.12 118.30 2kd0 n MET 81 Ca -0.08 -3.34 -0.20 0.00 -0.00 0.00 0.00 57.70 54.08 2kd0 n MET 81 Cb 0.41 -3.31 -0.13 0.00 0.00 0.00 0.00 33.22 30.19 2kd0 n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kd0 s ALA 82 N 3.11 1.22 -1.55 -5.12 0.00 -1.26 -3.53 121.76 114.63 2kd0 s ALA 82 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2kd0 s ALA 82 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2kd0 s ALA 82 CO 0.03 0.23 0.00 -1.13 0.00 0.00 0.00 175.76 174.88 2kd0 n SER 83 N 1.80 -3.97 -2.96 0.00 3.41 -1.26 -4.90 113.62 105.74 2kd0 n SER 83 Ca -0.18 0.36 -0.17 0.00 -0.26 0.00 0.00 58.87 58.62 2kd0 n SER 83 Cb 0.54 -3.61 -0.06 0.00 -0.26 0.00 0.00 64.21 60.82 2kd0 n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kd0 n GLN 84 N -1.91 0.40 0.00 4.33 10.64 -1.26 -5.18 117.38 124.40 2kd0 n GLN 84 Ca -0.15 -2.90 0.01 0.00 -1.83 0.00 0.00 57.00 52.13 2kd0 n GLN 84 Cb 0.49 2.43 0.01 0.00 -0.86 0.00 0.00 30.24 32.31 2kd0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64