#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 -0.26 -0.38 3.03 0.00 -1.26 -5.06 107.32 103.39 2kd0 s GLY 2 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 44.72 45.01 2kd0 s GLY 2 CO 0.00 0.10 3.32 1.57 0.00 0.00 0.00 173.10 178.09 2kd0 n HIS 3 N 0.66 0.57 0.00 1.90 -0.00 -1.26 -4.76 115.22 112.32 2kd0 n HIS 3 Ca -0.19 -1.80 0.00 0.00 -0.00 0.00 0.00 57.72 55.73 2kd0 n HIS 3 Cb 0.59 -1.75 0.00 0.00 -0.00 0.00 0.00 29.99 28.83 2kd0 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kd0 n HIS 4 N 2.80 0.00 -1.67 1.57 -0.00 -1.26 -4.91 115.22 111.75 2kd0 n HIS 4 Ca 0.49 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 58.24 2kd0 n HIS 4 Cb 0.71 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.55 2kd0 n HIS 4 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kd0 n HIS 5 N 0.00 2.52 -2.05 1.57 -0.00 -1.26 -4.93 115.22 111.06 2kd0 n HIS 5 Ca 0.00 -0.23 -0.41 0.00 -0.00 0.00 0.00 57.72 57.08 2kd0 n HIS 5 Cb 0.00 -2.75 -0.02 0.00 -0.00 0.00 0.00 29.99 27.21 2kd0 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd0 s HIS 6 N 3.70 3.07 0.08 1.57 2.46 -1.26 -5.04 115.29 119.86 2kd0 s HIS 6 Ca 0.87 1.06 0.02 0.00 0.47 0.00 0.00 55.06 57.48 2kd0 s HIS 6 Cb -0.50 -3.78 -0.03 0.00 -0.13 0.00 0.00 32.58 28.14 2kd0 s HIS 6 CO 0.42 -2.52 -0.08 -3.38 -2.47 0.00 0.00 174.74 166.71 2kd0 s HIS 7 N 0.02 0.85 0.37 3.88 0.00 -1.26 -5.14 115.29 114.01 2kd0 s HIS 7 Ca 0.59 -0.71 -0.27 0.00 -3.00 0.00 0.00 55.06 51.67 2kd0 s HIS 7 Cb -0.41 -0.49 -0.09 0.00 -4.00 0.00 0.00 32.58 27.59 2kd0 s HIS 7 CO 0.42 -0.09 1.23 -1.01 -1.00 0.00 0.00 174.74 174.29 2kd0 s HIS 8 N -2.56 3.07 0.09 0.38 0.09 -1.26 -5.03 115.29 110.07 2kd0 s HIS 8 Ca 0.03 1.50 -0.27 0.00 -0.00 0.00 0.00 55.06 56.32 2kd0 s HIS 8 Cb -0.02 -3.52 0.08 0.00 -0.00 0.00 0.00 32.58 29.12 2kd0 s HIS 8 CO -0.02 -1.54 1.00 0.45 -0.00 0.00 0.00 174.74 174.62 2kd0 s SER 9 N -0.84 -0.20 0.00 1.40 0.15 -1.26 -5.03 113.70 107.92 2kd0 s SER 9 Ca 0.53 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 57.01 2kd0 s SER 9 Cb -0.35 0.41 0.24 0.00 -1.71 0.00 0.00 66.02 64.61 2kd0 s SER 9 CO 0.45 -0.74 1.15 0.00 1.20 0.00 0.00 173.24 175.30 2kd0 n HIS 10 N -0.41 0.34 -1.12 3.44 -0.00 -1.26 -5.05 115.22 111.15 2kd0 n HIS 10 Ca -0.07 -0.41 -0.34 0.00 -0.00 0.00 0.00 57.72 56.90 2kd0 n HIS 10 Cb 0.61 -0.02 0.11 0.00 -0.00 0.00 0.00 29.99 30.69 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kd0 n SER 11 N 0.43 0.06 -4.69 4.39 7.64 -1.26 -4.82 113.62 115.37 2kd0 n SER 11 Ca 0.09 0.56 -0.40 0.00 1.01 0.00 0.00 58.87 60.13 2kd0 n SER 11 Cb 0.38 -1.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.13 2kd0 n SER 11 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kd0 s THR 12 N -2.08 5.00 0.07 0.44 -4.23 -1.26 -4.46 115.64 109.12 2kd0 s THR 12 Ca 0.69 1.38 0.02 0.00 -1.18 0.00 0.00 61.69 62.60 2kd0 s THR 12 Cb -0.30 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 2kd0 s THR 12 CO 0.55 0.15 0.13 0.27 -0.54 0.00 0.00 174.62 175.18 2kd0 s ILE 13 N 1.51 4.90 -0.45 2.99 -4.36 0.27 -4.74 121.20 121.32 2kd0 s ILE 13 Ca 0.34 -0.60 -0.20 0.00 -0.26 0.00 0.00 60.65 59.93 2kd0 s ILE 13 Cb -0.17 -3.37 0.03 0.00 1.25 0.00 0.00 42.46 40.20 2kd0 s ILE 13 CO 0.14 0.14 0.64 -0.54 0.24 0.00 0.00 174.94 175.56 2kd0 s LYS 14 N -2.42 3.25 0.09 0.37 1.02 -1.26 -1.04 119.74 119.75 2kd0 s LYS 14 Ca 0.31 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.69 2kd0 s LYS 14 Cb -0.13 -3.97 -0.07 0.00 -0.52 0.00 0.00 37.83 33.14 2kd0 s LYS 14 CO 0.24 -1.05 0.52 -0.51 -0.92 0.00 0.00 175.35 173.64 2kd0 s LEU 15 N 2.80 4.44 -0.67 3.17 1.02 0.51 -0.81 118.68 129.14 2kd0 s LEU 15 Ca 0.21 1.12 -0.06 0.00 0.02 0.00 0.00 54.13 55.42 2kd0 s LEU 15 Cb -0.15 -2.99 0.17 0.00 0.02 0.00 0.00 46.19 43.25 2kd0 s LEU 15 CO 0.18 0.21 0.52 -0.89 0.02 0.00 0.00 176.35 176.39 2kd0 s THR 16 N -1.25 4.17 0.19 5.49 2.01 -0.31 -0.81 115.64 125.12 2kd0 s THR 16 Ca 0.32 -2.83 -0.15 0.00 0.31 0.00 0.00 61.69 59.34 2kd0 s THR 16 Cb -0.17 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 2kd0 s THR 16 CO 0.18 -0.91 0.61 0.54 -0.69 0.00 0.00 174.62 174.35 2kd0 s VAL 17 N 0.01 4.77 -0.30 3.82 0.11 -0.39 -0.50 120.40 127.93 2kd0 s VAL 17 Ca 0.17 0.94 -0.03 0.00 -2.93 0.00 0.00 61.98 60.12 2kd0 s VAL 17 Cb -0.18 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 30.96 2kd0 s VAL 17 CO -0.05 0.17 0.01 -0.75 -3.33 0.00 0.00 175.10 171.16 2kd0 s LYS 18 N -2.11 2.60 0.69 1.54 2.20 0.20 -0.43 119.74 124.43 2kd0 s LYS 18 Ca 0.41 -1.16 -0.09 0.00 -0.36 0.00 0.00 55.97 54.77 2kd0 s LYS 18 Cb -0.15 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2kd0 s LYS 18 CO 0.20 -0.57 1.05 -0.06 -0.36 0.00 0.00 175.35 175.61 2kd0 s PHE 19 N 1.32 3.20 -0.84 4.03 0.08 0.98 -0.78 117.98 125.97 2kd0 s PHE 19 Ca -0.03 0.82 -0.21 0.00 0.12 0.00 0.00 56.93 57.63 2kd0 s PHE 19 Cb -0.19 -3.06 -0.19 0.00 -0.57 0.00 0.00 43.02 39.02 2kd0 s PHE 19 CO -0.01 -1.20 2.08 0.41 -0.10 0.00 0.00 175.22 176.40 2kd0 n GLY 20 N -2.93 -0.31 0.80 4.36 0.00 -1.26 -1.26 105.19 104.59 2kd0 n GLY 20 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 6.09 0.79 3.06 -0.02 0.00 -1.26 -5.07 105.19 108.79 2kd0 n GLY 21 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.63 1.15 -0.19 1.61 -0.14 -0.39 -5.14 119.74 116.00 2kd0 s LYS 22 Ca 0.00 -0.43 -0.06 0.00 -1.36 0.00 0.00 55.97 54.13 2kd0 s LYS 22 Cb 0.00 -1.07 -0.03 0.00 -1.68 0.00 0.00 37.83 35.05 2kd0 s LYS 22 CO 0.00 0.21 0.01 -1.54 -0.76 0.00 0.00 175.35 173.27 2kd0 s SER 23 N -0.06 5.06 -0.29 2.83 1.04 -1.26 -0.01 113.70 121.01 2kd0 s SER 23 Ca 0.00 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2kd0 s SER 23 Cb -0.07 -1.86 0.06 0.00 0.10 0.00 0.00 66.02 64.24 2kd0 s SER 23 CO 0.00 0.11 -0.04 -0.63 0.98 0.00 0.00 173.24 173.66 2kd0 s ILE 24 N 0.76 2.57 -0.34 -1.02 -1.09 0.42 -4.98 121.20 117.52 2kd0 s ILE 24 Ca 0.01 -1.60 -0.21 0.00 -2.23 0.00 0.00 60.65 56.62 2kd0 s ILE 24 Cb -0.14 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 2kd0 s ILE 24 CO 0.02 -0.13 0.65 -2.16 -1.23 0.00 0.00 174.94 172.09 2kd0 s PRO 25 N 1.15 3.74 -0.13 2.79 0.04 -1.26 -1.26 135.00 140.08 2kd0 s PRO 25 Ca -0.05 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.15 2kd0 s PRO 25 Cb -0.20 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.57 2kd0 s PRO 25 CO -0.04 -0.71 -0.18 -0.51 0.04 0.00 0.00 177.00 175.61 2kd0 s LEU 26 N 2.73 1.89 -0.61 -3.56 1.43 0.01 -4.93 118.68 115.63 2kd0 s LEU 26 Ca 0.25 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2kd0 s LEU 26 Cb -0.14 -1.27 0.08 0.00 0.03 0.00 0.00 46.19 44.89 2kd0 s LEU 26 CO 0.14 0.02 0.81 -0.94 0.23 0.00 0.00 176.35 176.62 2kd0 s SER 27 N 1.05 6.19 0.35 2.29 1.04 -1.25 -0.36 113.70 123.00 2kd0 s SER 27 Ca -0.03 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 55.27 2kd0 s SER 27 Cb -0.15 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 2kd0 s SER 27 CO -0.05 -1.23 0.07 0.68 0.98 0.00 0.00 173.24 173.70 2kd0 s VAL 28 N 3.28 1.05 -0.09 5.02 -7.23 -0.21 -4.80 120.40 117.42 2kd0 s VAL 28 Ca 0.17 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.09 2kd0 s VAL 28 Cb -0.20 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2kd0 s VAL 28 CO 0.09 0.00 0.79 -0.44 -0.31 0.00 0.00 175.10 175.23 2kd0 s SER 29 N -3.53 7.04 0.55 4.85 0.01 -1.26 -0.56 113.70 120.79 2kd0 s SER 29 Ca 0.32 1.26 0.37 0.00 1.31 0.00 0.00 55.95 59.21 2kd0 s SER 29 Cb 0.07 -2.45 1.90 0.00 0.21 0.00 0.00 66.02 65.74 2kd0 s SER 29 CO 0.15 -0.24 2.12 1.55 0.41 0.00 0.00 173.24 177.22 2kd0 h PRO 30 N 6.98 0.00 0.00 12.44 0.13 -1.88 -1.69 132.00 147.98 2kd0 h PRO 30 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kd0 h PRO 30 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kd0 h PRO 30 CO 0.78 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.11 2kd0 h ASP 31 N 0.00 0.00 -4.28 1.44 5.19 -1.94 -1.46 116.42 115.37 2kd0 h ASP 31 Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 2kd0 h ASP 31 Cb 0.11 0.00 0.08 0.00 0.18 0.00 0.00 39.33 39.70 2kd0 h ASP 31 CO 0.00 0.00 0.38 0.00 -3.12 0.00 0.00 179.24 176.50 2kd0 s THR 33 N -2.84 4.98 0.18 0.00 -4.23 -1.26 -2.53 115.64 109.94 2kd0 s THR 33 Ca 0.60 0.13 0.35 0.00 -1.18 0.00 0.00 61.69 61.58 2kd0 s THR 33 Cb -0.14 -3.75 0.37 0.00 1.34 0.00 0.00 72.50 70.32 2kd0 s THR 33 CO 0.47 -0.40 2.04 -0.37 -0.54 0.00 0.00 174.62 175.83 2kd0 h VAL 34 N 1.22 0.00 0.19 2.29 -1.51 -1.51 -1.78 116.25 115.15 2kd0 h VAL 34 Ca -0.48 -0.23 -0.31 0.00 -1.23 0.00 0.00 66.70 64.45 2kd0 h VAL 34 Cb 1.19 1.12 0.03 0.00 -2.13 0.00 0.00 31.29 31.50 2kd0 h VAL 34 CO 0.65 0.00 -1.37 0.50 -1.23 0.00 0.00 177.57 176.12 2kd0 h LYS 35 N 0.00 0.50 -0.81 5.19 3.64 -1.80 -3.06 116.57 120.22 2kd0 h LYS 35 Ca 0.00 -0.80 0.04 0.00 -1.27 0.00 0.00 60.65 58.63 2kd0 h LYS 35 Cb 0.25 0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 2kd0 h LYS 35 CO 0.00 1.37 0.51 0.22 -2.27 0.00 0.00 179.45 179.28 2kd0 h ASP 36 N 0.16 0.82 -0.99 4.20 3.58 -1.64 -1.48 116.42 121.08 2kd0 h ASP 36 Ca -0.21 0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.39 2kd0 h ASP 36 Cb 2.06 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 42.85 2kd0 h ASP 36 CO 0.25 0.55 0.62 -0.07 -2.88 0.00 0.00 179.24 177.71 2kd0 h LEU 37 N 0.97 0.83 -0.87 2.28 3.38 -1.40 -1.03 115.31 119.46 2kd0 h LEU 37 Ca 0.34 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.42 2kd0 h LEU 37 Cb 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2kd0 h LEU 37 CO -0.14 0.39 0.56 0.11 0.09 0.00 0.00 178.44 179.44 2kd0 h LYS 38 N 0.86 1.02 0.00 1.13 1.57 -1.17 0.48 116.57 120.45 2kd0 h LYS 38 Ca 0.52 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.21 2kd0 h LYS 38 Cb 0.68 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kd0 h LYS 38 CO -0.29 0.67 -0.15 1.03 -0.57 0.00 0.00 179.45 180.14 2kd0 h SER 39 N 1.05 0.00 0.33 0.86 0.87 -1.04 -1.99 113.55 113.62 2kd0 h SER 39 Ca 0.36 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.60 2kd0 h SER 39 Cb 0.09 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2kd0 h SER 39 CO -0.14 0.15 -1.88 0.00 -0.53 0.00 0.00 176.83 174.43 2kd0 n GLN 40 N -3.47 0.67 -0.10 2.24 6.02 -0.53 -4.34 117.38 117.88 2kd0 n GLN 40 Ca -0.01 0.25 -0.13 0.00 -0.01 0.00 0.00 57.00 57.10 2kd0 n GLN 40 Cb 0.32 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 2kd0 n GLN 40 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2kd0 h LEU 41 N 0.02 0.84 -0.21 1.08 3.38 0.05 -3.34 115.31 117.14 2kd0 h LEU 41 Ca -0.36 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.20 2kd0 h LEU 41 Cb 2.04 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.49 2kd0 h LEU 41 CO 0.07 1.14 -0.23 -0.61 0.09 0.00 0.00 178.44 178.90 2kd0 h GLN 42 N 0.56 -0.24 0.00 1.13 4.15 -1.48 0.33 115.11 119.57 2kd0 h GLN 42 Ca 0.05 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2kd0 h GLN 42 Cb 0.90 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2kd0 h GLN 42 CO 0.08 -0.16 0.00 -0.35 -1.93 0.00 0.00 178.83 176.47 2kd0 n PRO 43 N -5.36 0.08 -0.06 -2.39 -0.04 -1.26 -1.31 135.00 124.66 2kd0 n PRO 43 Ca -0.01 0.36 -0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2kd0 n PRO 43 Cb 0.28 -1.66 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.81 1.41 1.01 0.52 5.41 -0.32 -4.67 119.36 120.90 2kd0 n ILE 44 Ca 0.02 0.20 0.11 0.00 1.00 0.00 0.00 62.75 64.08 2kd0 n ILE 44 Cb 0.16 -2.18 0.33 0.00 -0.71 0.00 0.00 39.64 37.24 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 -4.23 0.28 -1.86 1.39 -2.24 0.10 -4.94 114.28 102.79 2kd0 n THR 45 Ca -0.11 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.05 2kd0 n THR 45 Cb 0.41 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.61 -5.19 -4.89 3.42 3.02 -0.43 -3.13 115.26 108.67 2kd0 n ASN 46 Ca 0.17 0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 54.62 2kd0 n ASN 46 Cb 0.39 -4.27 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 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 -2.76 5.46 0.11 2.41 0.11 -1.24 -4.60 120.40 119.88 2kd0 s VAL 47 Ca 0.00 -0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2kd0 s VAL 47 Cb 0.00 -3.49 -0.06 0.00 -1.53 0.00 0.00 36.38 31.30 2kd0 s VAL 47 CO 0.00 0.44 0.87 -0.76 -3.33 0.00 0.00 175.10 172.32 2kd0 s LEU 48 N -1.58 4.51 0.28 2.54 1.43 -1.26 -3.91 118.68 120.68 2kd0 s LEU 48 Ca 0.23 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2kd0 s LEU 48 Cb -0.12 -3.43 0.51 0.00 0.03 0.00 0.00 46.19 43.18 2kd0 s LEU 48 CO 0.13 0.02 1.85 1.55 0.23 0.00 0.00 176.35 180.12 2kd0 h PRO 49 N 5.33 1.01 -0.45 1.29 0.13 -1.94 0.11 132.00 137.48 2kd0 h PRO 49 Ca -0.44 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2kd0 h PRO 49 Cb 1.21 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2kd0 h PRO 49 CO 0.70 0.67 -0.05 -0.09 -0.23 0.00 0.00 178.00 179.00 2kd0 h ARG 50 N 1.04 0.78 0.00 0.86 2.43 -1.99 -2.76 114.38 114.74 2kd0 h ARG 50 Ca 0.48 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2kd0 h ARG 50 Cb 0.41 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2kd0 h ARG 50 CO -0.24 0.81 -0.24 0.41 -1.51 0.00 0.00 179.97 179.20 2kd0 n GLY 51 N -0.56 -1.60 3.56 2.80 0.00 -0.61 -4.78 105.19 104.00 2kd0 n GLY 51 Ca 0.02 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2kd0 n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kd0 s GLN 52 N -3.13 2.83 -0.60 1.61 -0.21 0.30 -4.46 119.66 116.00 2kd0 s GLN 52 Ca 0.09 0.83 -0.10 0.00 0.02 0.00 0.00 55.36 56.19 2kd0 s GLN 52 Cb 0.13 -4.33 0.15 0.00 1.00 0.00 0.00 33.01 29.96 2kd0 s GLN 52 CO 0.65 -2.48 0.49 0.15 -2.12 0.00 0.00 175.29 171.97 2kd0 s LYS 53 N 6.64 2.84 -0.20 2.91 1.02 -1.26 -4.99 119.74 126.69 2kd0 s LYS 53 Ca 0.70 -2.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.32 2kd0 s LYS 53 Cb -0.15 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 2kd0 s LYS 53 CO 0.24 -1.23 1.07 -0.51 -0.92 0.00 0.00 175.35 174.00 2kd0 s LEU 54 N 0.82 4.13 -0.14 3.17 1.43 -1.26 -1.17 118.68 125.66 2kd0 s LEU 54 Ca 0.11 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.65 2kd0 s LEU 54 Cb -0.22 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.49 2kd0 s LEU 54 CO -0.03 -0.65 -0.10 -0.63 0.23 0.00 0.00 176.35 175.17 2kd0 s ILE 55 N 3.08 1.28 -0.23 -0.59 1.01 0.13 -1.17 121.20 124.71 2kd0 s ILE 55 Ca 0.46 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 2kd0 s ILE 55 Cb -0.16 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2kd0 s ILE 55 CO 0.09 0.36 0.02 0.12 0.00 0.00 0.00 174.94 175.52 2kd0 s PHE 56 N 1.60 3.03 -1.89 3.97 5.36 0.78 -0.21 117.98 130.62 2kd0 s PHE 56 Ca 0.04 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 2kd0 s PHE 56 Cb -0.13 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 2kd0 s PHE 56 CO -0.09 -0.38 0.00 1.63 -1.46 0.00 0.00 175.22 174.92 2kd0 n LYS 57 N 4.70 -1.24 -0.42 10.12 4.76 -1.26 -0.66 118.16 134.15 2kd0 n LYS 57 Ca -0.17 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 2kd0 n LYS 57 Cb 0.51 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 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 -0.79 0.73 3.31 0.72 0.00 -1.26 -5.06 105.19 102.85 2kd0 n GLY 58 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.57 3.36 0.25 1.61 2.20 0.16 -5.07 119.74 121.68 2kd0 s LYS 59 Ca 0.00 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 2kd0 s LYS 59 Cb 0.00 -2.90 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 2kd0 s LYS 59 CO 0.00 -0.10 1.43 0.08 -0.36 0.00 0.00 175.35 176.40 2kd0 s VAL 60 N 1.19 2.67 0.30 4.02 1.01 -1.26 -0.16 120.40 128.17 2kd0 s VAL 60 Ca 0.02 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 2kd0 s VAL 60 Cb -0.14 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 2kd0 s VAL 60 CO -0.02 0.09 0.89 -0.76 0.00 0.00 0.00 175.10 175.30 2kd0 s LEU 61 N -0.43 4.33 -0.01 3.92 2.01 -0.32 -4.88 118.68 123.30 2kd0 s LEU 61 Ca 0.59 1.73 -0.30 0.00 0.01 0.00 0.00 54.13 56.16 2kd0 s LEU 61 Cb -0.42 -3.92 -0.03 0.00 0.01 0.00 0.00 46.19 41.82 2kd0 s LEU 61 CO 0.44 -0.05 1.07 -0.69 1.01 0.00 0.00 176.35 178.13 2kd0 s VAL 62 N -1.61 4.56 0.59 -1.59 1.01 -1.26 -4.85 120.40 117.25 2kd0 s VAL 62 Ca 0.49 1.84 0.29 0.00 0.00 0.00 0.00 61.98 64.60 2kd0 s VAL 62 Cb -0.18 -4.18 0.36 0.00 0.00 0.00 0.00 36.38 32.38 2kd0 s VAL 62 CO 0.23 0.10 2.11 -0.33 0.00 0.00 0.00 175.10 177.21 2kd0 h GLU 63 N 6.94 0.00 -0.44 2.72 5.08 -1.96 0.23 114.58 127.15 2kd0 h GLU 63 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 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 0.80 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.06 2kd0 n THR 64 N -3.80 0.62 -4.30 1.13 -2.24 -1.26 -3.33 114.28 101.11 2kd0 n THR 64 Ca 0.01 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 2kd0 n THR 64 Cb 0.30 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.89 4.43 0.53 3.42 0.15 0.80 -5.03 113.70 117.12 2kd0 s SER 65 Ca 0.24 -0.63 0.06 0.00 0.70 0.00 0.00 55.95 56.32 2kd0 s SER 65 Cb 0.14 -0.79 0.05 0.00 -1.71 0.00 0.00 66.02 63.70 2kd0 s SER 65 CO 0.14 0.04 0.73 0.42 1.20 0.00 0.00 173.24 175.77 2kd0 s THR 66 N -2.11 2.57 0.12 6.45 -4.23 -1.26 -1.69 115.64 115.49 2kd0 s THR 66 Ca 0.29 -0.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 2kd0 s THR 66 Cb -0.07 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 2kd0 s THR 66 CO 0.18 0.00 1.42 -0.07 -0.54 0.00 0.00 174.62 175.61 2kd0 h LEU 67 N 0.25 0.95 -0.96 4.79 -0.00 -1.32 -2.88 115.31 116.14 2kd0 h LEU 67 Ca -0.37 -0.51 -0.05 0.00 -0.00 0.00 0.00 57.88 56.95 2kd0 h LEU 67 Cb 1.28 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.65 2kd0 h LEU 67 CO 0.44 1.27 0.16 0.50 -0.00 0.00 0.00 178.44 180.81 2kd0 h LYS 68 N 0.65 0.92 0.00 1.13 3.64 -1.50 -0.42 116.57 120.99 2kd0 h LYS 68 Ca 0.03 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2kd0 h LYS 68 Cb 1.07 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2kd0 h LYS 68 CO 0.11 0.81 -0.16 1.96 -2.27 0.00 0.00 179.45 179.89 2kd0 h GLN 69 N 0.88 0.00 -0.66 1.90 4.20 -1.82 -2.81 115.11 116.80 2kd0 h GLN 69 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2kd0 h GLN 69 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2kd0 h GLN 69 CO -0.00 0.16 0.00 0.43 -0.67 0.00 0.00 178.83 178.75 2kd0 n SER 70 N -3.57 3.52 -0.71 1.46 7.64 -0.50 -4.93 113.62 116.53 2kd0 n SER 70 Ca -0.01 -2.00 -0.09 0.00 1.01 0.00 0.00 58.87 57.77 2kd0 n SER 70 Cb 0.31 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2kd0 n SER 70 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kd0 n ASP 71 N 1.43 -5.21 -4.59 6.43 8.00 -0.82 -4.94 116.55 116.85 2kd0 n ASP 71 Ca 0.22 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.53 2kd0 n ASP 71 Cb 0.55 -3.53 -0.02 0.00 -0.02 0.00 0.00 41.12 38.10 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 -1.98 3.81 0.00 2.53 1.01 -0.29 -4.98 120.40 120.50 2kd0 s VAL 72 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2kd0 s VAL 72 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2kd0 s VAL 72 CO 0.00 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 174.83 2kd0 n GLY 73 N 5.19 4.14 3.66 4.51 0.00 -1.26 -4.50 105.19 116.93 2kd0 n GLY 73 Ca 0.16 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.49 6.63 0.00 1.61 1.04 -1.26 -1.92 113.70 119.31 2kd0 s SER 74 Ca 0.00 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.72 2kd0 s SER 74 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2kd0 s SER 74 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2kd0 n GLY 75 N 4.20 0.75 3.71 7.32 0.00 0.01 -4.95 105.19 116.22 2kd0 n GLY 75 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 3.43 -0.18 4.61 0.00 -0.81 -4.77 121.76 121.89 2kd0 s ALA 76 Ca 0.00 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 2kd0 s ALA 76 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2kd0 s ALA 76 CO 0.00 -0.54 0.43 0.15 0.00 0.00 0.00 175.76 175.80 2kd0 s LYS 77 N 1.37 4.21 0.25 0.00 1.02 -1.26 -1.16 119.74 124.17 2kd0 s LYS 77 Ca 0.59 0.28 0.10 0.00 0.02 0.00 0.00 55.97 56.96 2kd0 s LYS 77 Cb -0.29 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2kd0 s LYS 77 CO 0.28 -0.00 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.16 2kd0 s LEU 78 N 1.18 3.12 -0.18 3.17 1.43 0.35 -4.57 118.68 123.19 2kd0 s LEU 78 Ca 0.21 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2kd0 s LEU 78 Cb -0.15 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2kd0 s LEU 78 CO 0.08 0.02 -0.14 -0.32 0.23 0.00 0.00 176.35 176.23 2kd0 s MET 79 N -3.54 3.21 -0.50 1.70 -2.45 0.70 0.62 119.30 119.05 2kd0 s MET 79 Ca 0.30 -0.73 -0.12 0.00 -1.25 0.00 0.00 55.69 53.89 2kd0 s MET 79 Cb -0.07 -2.71 0.12 0.00 1.25 0.00 0.00 34.83 33.43 2kd0 s MET 79 CO 0.19 -0.08 0.42 -1.17 1.05 0.00 0.00 175.02 175.42 2kd0 s LEU 80 N 1.07 5.93 -1.27 4.11 2.96 0.04 0.22 118.68 131.74 2kd0 s LEU 80 Ca -0.00 -1.86 -0.19 0.00 -0.22 0.00 0.00 54.13 51.86 2kd0 s LEU 80 Cb -0.14 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.46 2kd0 s LEU 80 CO -0.04 -0.77 1.85 0.80 -1.32 0.00 0.00 176.35 176.87 2kd0 n MET 81 N 5.06 2.72 -3.73 1.98 0.00 -0.32 -4.56 117.12 118.27 2kd0 n MET 81 Ca -0.11 -2.95 -0.12 0.00 -0.00 0.00 0.00 57.70 54.53 2kd0 n MET 81 Cb 0.40 -3.50 -0.12 0.00 0.00 0.00 0.00 33.22 30.01 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 5.66 -0.75 -0.00 -5.12 0.00 -1.26 -3.99 121.76 116.29 2kd0 s ALA 82 Ca 0.56 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2kd0 s ALA 82 Cb 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2kd0 s ALA 82 CO 0.07 -0.21 1.03 -1.13 0.00 0.00 0.00 175.76 175.53 2kd0 n SER 83 N 3.93 3.08 -0.72 0.00 3.41 -1.26 -4.63 113.62 117.42 2kd0 n SER 83 Ca -0.22 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2kd0 n SER 83 Cb 0.55 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.53 2.28 0.00 4.33 1.13 -1.26 -5.13 117.38 119.27 2kd0 n GLN 84 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2kd0 n GLN 84 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 2kd0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03