#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 0.16 0.12 3.03 0.00 -1.26 -4.95 107.32 104.43 2kd0 s GLY 2 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 44.72 42.93 2kd0 s GLY 2 CO 0.00 3.51 1.66 0.30 0.00 0.00 0.00 173.10 178.56 2kd0 s HIS 3 N 10.18 2.64 -0.80 1.90 4.02 -1.26 -4.91 115.29 127.06 2kd0 s HIS 3 Ca 0.71 0.38 -0.25 0.00 1.02 0.00 0.00 55.06 56.91 2kd0 s HIS 3 Cb -0.07 -4.00 -0.00 0.00 -1.02 0.00 0.00 32.58 27.49 2kd0 s HIS 3 CO -0.00 -3.90 1.68 -1.01 1.02 0.00 0.00 174.74 172.53 2kd0 s HIS 4 N 2.01 2.01 -2.00 1.40 4.02 -1.26 -4.84 115.29 116.63 2kd0 s HIS 4 Ca 0.74 0.24 0.11 0.00 1.02 0.00 0.00 55.06 57.17 2kd0 s HIS 4 Cb -0.43 -4.31 0.64 0.00 -1.02 0.00 0.00 32.58 27.46 2kd0 s HIS 4 CO 0.32 -2.03 1.40 -2.39 1.02 0.00 0.00 174.74 173.07 2kd0 n HIS 5 N 11.63 0.00 0.15 1.40 -0.00 -1.26 -3.67 115.22 123.47 2kd0 n HIS 5 Ca 0.25 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.83 2kd0 n HIS 5 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.41 2kd0 n HIS 5 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kd0 h HIS 6 N 0.00 -0.32 -2.52 -1.40 -0.00 -2.03 -3.30 115.15 105.59 2kd0 h HIS 6 Ca 0.00 -0.01 -0.80 0.00 -0.00 0.00 0.00 60.37 59.56 2kd0 h HIS 6 Cb 0.00 0.11 -0.25 0.00 -0.00 0.00 0.00 27.41 27.26 2kd0 h HIS 6 CO 0.00 -0.09 1.08 0.72 -0.00 0.00 0.00 177.93 179.64 2kd0 n HIS 7 N -5.17 2.41 -4.06 2.45 -0.00 -1.24 -4.96 115.22 104.64 2kd0 n HIS 7 Ca -0.10 -2.61 -0.10 0.00 -0.00 0.00 0.00 57.72 54.92 2kd0 n HIS 7 Cb 0.21 -1.38 -0.07 0.00 -0.00 0.00 0.00 29.99 28.75 2kd0 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd0 s HIS 8 N -2.44 0.64 -1.31 4.41 3.76 -1.24 -4.91 115.29 114.21 2kd0 s HIS 8 Ca 0.34 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2kd0 s HIS 8 Cb 0.08 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2kd0 s HIS 8 CO 0.06 -0.81 0.00 0.45 -0.85 0.00 0.00 174.74 173.59 2kd0 n SER 9 N -0.30 -4.82 -4.96 1.40 2.88 -1.26 -4.94 113.62 101.62 2kd0 n SER 9 Ca -0.02 0.30 -0.23 0.00 -1.33 0.00 0.00 58.87 57.60 2kd0 n SER 9 Cb 0.63 -3.85 0.03 0.00 -0.75 0.00 0.00 64.21 60.27 2kd0 n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kd0 s HIS 10 N -1.99 3.06 0.30 0.66 0.09 -1.26 -5.12 115.29 111.02 2kd0 s HIS 10 Ca 0.00 0.19 -0.15 0.00 -0.00 0.00 0.00 55.06 55.11 2kd0 s HIS 10 Cb 0.00 -2.59 0.02 0.00 -0.00 0.00 0.00 32.58 30.01 2kd0 s HIS 10 CO 0.00 -0.68 0.61 0.45 -0.00 0.00 0.00 174.74 175.13 2kd0 s SER 11 N -4.33 -0.00 -0.38 1.40 0.15 -1.26 -5.12 113.70 104.16 2kd0 s SER 11 Ca 0.53 -0.94 -0.20 0.00 0.70 0.00 0.00 55.95 56.04 2kd0 s SER 11 Cb -0.10 0.69 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2kd0 s SER 11 CO 0.39 -1.33 0.63 0.42 1.20 0.00 0.00 173.24 174.55 2kd0 s THR 12 N -3.54 4.88 0.34 6.45 -4.23 -1.26 -4.30 115.64 113.98 2kd0 s THR 12 Ca 0.19 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.96 2kd0 s THR 12 Cb -0.03 -4.11 -0.09 0.00 1.34 0.00 0.00 72.50 69.61 2kd0 s THR 12 CO 0.10 -0.40 0.75 0.27 -0.54 0.00 0.00 174.62 174.81 2kd0 s ILE 13 N 2.72 4.67 -0.28 2.99 -4.36 0.47 -4.70 121.20 122.71 2kd0 s ILE 13 Ca 0.23 0.95 -0.28 0.00 -0.26 0.00 0.00 60.65 61.30 2kd0 s ILE 13 Cb -0.14 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 39.96 2kd0 s ILE 13 CO 0.16 -0.23 0.99 -0.54 0.24 0.00 0.00 174.94 175.56 2kd0 s LYS 14 N -3.08 4.12 -0.27 0.37 1.02 -1.26 -2.28 119.74 118.37 2kd0 s LYS 14 Ca 0.54 1.06 -0.07 0.00 0.02 0.00 0.00 55.97 57.53 2kd0 s LYS 14 Cb -0.10 -3.70 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2kd0 s LYS 14 CO 0.18 -0.74 0.06 -0.51 -0.92 0.00 0.00 175.35 173.43 2kd0 s LEU 15 N 3.30 3.55 -0.82 3.17 1.02 -0.05 -0.31 118.68 128.54 2kd0 s LEU 15 Ca 0.42 -0.48 -0.18 0.00 0.02 0.00 0.00 54.13 53.91 2kd0 s LEU 15 Cb -0.14 -1.88 0.15 0.00 0.02 0.00 0.00 46.19 44.35 2kd0 s LEU 15 CO 0.11 -0.11 0.93 -0.89 0.02 0.00 0.00 176.35 176.41 2kd0 s THR 16 N 1.54 4.98 -0.26 5.49 2.01 -0.51 -0.19 115.64 128.70 2kd0 s THR 16 Ca 0.04 -1.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.23 2kd0 s THR 16 Cb -0.16 -4.63 -0.03 0.00 0.01 0.00 0.00 72.50 67.69 2kd0 s THR 16 CO 0.02 -1.29 0.44 -0.69 -0.69 0.00 0.00 174.62 172.40 2kd0 s VAL 17 N 2.04 5.13 -0.48 3.82 1.01 -0.61 -0.29 120.40 131.01 2kd0 s VAL 17 Ca 0.24 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 2kd0 s VAL 17 Cb -0.11 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2kd0 s VAL 17 CO -0.05 0.13 0.59 -0.54 0.00 0.00 0.00 175.10 175.23 2kd0 s LYS 18 N 2.13 3.13 -1.40 2.72 1.02 -0.03 -0.38 119.74 126.93 2kd0 s LYS 18 Ca 0.18 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 2kd0 s LYS 18 Cb -0.16 -4.06 0.05 0.00 -0.52 0.00 0.00 37.83 33.14 2kd0 s LYS 18 CO 0.09 -1.14 2.06 1.19 -0.92 0.00 0.00 175.35 176.64 2kd0 n PHE 19 N 6.05 3.90 0.00 3.18 3.72 0.11 -2.21 117.46 132.22 2kd0 n PHE 19 Ca -0.06 -2.91 0.00 0.00 -0.05 0.00 0.00 57.45 54.42 2kd0 n PHE 19 Cb 0.46 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.42 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 4.56 0.54 0.33 1.37 0.00 -1.26 -1.44 105.19 109.29 2kd0 n GLY 20 Ca 0.51 0.70 0.04 0.00 0.00 0.00 0.00 46.02 47.26 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 3.20 3.05 -0.02 0.00 -1.26 -4.94 105.19 105.22 2kd0 n GLY 21 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.36 2.15 -0.39 1.61 -0.14 -0.52 -5.09 119.74 116.00 2kd0 s LYS 22 Ca 0.16 -1.30 -0.25 0.00 -1.36 0.00 0.00 55.97 53.22 2kd0 s LYS 22 Cb 0.10 -2.84 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 2kd0 s LYS 22 CO 0.07 -0.57 0.89 -1.12 -0.76 0.00 0.00 175.35 173.86 2kd0 s SER 23 N 1.14 6.61 -0.36 2.83 0.01 -1.26 0.07 113.70 122.75 2kd0 s SER 23 Ca -0.08 0.43 -0.09 0.00 1.31 0.00 0.00 55.95 57.52 2kd0 s SER 23 Cb -0.20 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.61 2kd0 s SER 23 CO -0.05 -0.87 0.16 -0.63 0.41 0.00 0.00 173.24 172.26 2kd0 s ILE 24 N 3.45 4.27 -0.23 1.44 -1.09 0.48 -4.95 121.20 124.58 2kd0 s ILE 24 Ca 0.36 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.57 2kd0 s ILE 24 Cb -0.12 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2kd0 s ILE 24 CO 0.20 -0.19 1.28 -2.16 -1.23 0.00 0.00 174.94 172.84 2kd0 s PRO 25 N 1.50 4.07 0.40 2.79 0.04 -1.26 -1.58 135.00 140.97 2kd0 s PRO 25 Ca 0.01 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2kd0 s PRO 25 Cb -0.19 -3.82 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 2kd0 s PRO 25 CO 0.05 -0.91 0.09 -0.51 0.04 0.00 0.00 177.00 175.76 2kd0 s LEU 26 N 3.94 3.00 -0.25 -3.56 1.43 0.74 -4.95 118.68 119.02 2kd0 s LEU 26 Ca 0.55 -1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2kd0 s LEU 26 Cb -0.19 -1.20 0.12 0.00 0.03 0.00 0.00 46.19 44.95 2kd0 s LEU 26 CO 0.19 -0.47 0.29 -0.44 0.23 0.00 0.00 176.35 176.14 2kd0 s SER 27 N -3.80 1.24 0.34 2.29 0.01 -1.25 -0.87 113.70 111.65 2kd0 s SER 27 Ca 0.38 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.31 2kd0 s SER 27 Cb 0.06 0.61 -0.06 0.00 0.21 0.00 0.00 66.02 66.84 2kd0 s SER 27 CO 0.20 -0.35 0.06 0.68 0.41 0.00 0.00 173.24 174.24 2kd0 s VAL 28 N 2.39 1.21 0.09 3.43 -7.23 -0.96 -4.79 120.40 114.54 2kd0 s VAL 28 Ca 0.09 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.18 2kd0 s VAL 28 Cb -0.15 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 2kd0 s VAL 28 CO -0.22 0.00 0.38 -0.55 -0.31 0.00 0.00 175.10 174.40 2kd0 s SER 29 N -3.52 6.59 0.00 4.85 0.15 -1.26 -0.40 113.70 120.11 2kd0 s SER 29 Ca 0.35 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.75 2kd0 s SER 29 Cb 0.08 -2.15 0.14 0.00 -1.71 0.00 0.00 66.02 62.39 2kd0 s SER 29 CO 0.15 0.14 1.04 -0.81 1.20 0.00 0.00 173.24 174.97 2kd0 n PRO 30 N 0.69 0.01 0.18 5.44 -0.04 -1.26 -1.49 135.00 138.54 2kd0 n PRO 30 Ca -0.07 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 2kd0 n PRO 30 Cb 0.52 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.82 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 -4.28 3.54 3.32 -1.94 -3.37 116.42 113.70 2kd0 h ASP 31 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2kd0 h ASP 31 Cb 0.05 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.68 2kd0 h ASP 31 CO 0.00 0.41 0.37 0.00 -1.72 0.00 0.00 179.24 178.30 2kd0 s THR 33 N -2.79 4.46 0.49 0.00 -4.23 -1.26 -2.68 115.64 109.64 2kd0 s THR 33 Ca 0.60 -1.17 0.30 0.00 -1.18 0.00 0.00 61.69 60.24 2kd0 s THR 33 Cb -0.15 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.51 2kd0 s THR 33 CO 0.47 -0.27 2.16 -0.37 -0.54 0.00 0.00 174.62 176.08 2kd0 h VAL 34 N 1.21 0.50 -0.26 2.29 -1.51 -1.53 -0.53 116.25 116.42 2kd0 h VAL 34 Ca -0.48 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 64.59 2kd0 h VAL 34 Cb 1.24 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2kd0 h VAL 34 CO 0.59 0.06 -0.26 0.50 -1.23 0.00 0.00 177.57 177.23 2kd0 h LYS 35 N 0.00 0.63 -0.95 5.19 3.64 -1.82 -2.48 116.57 120.77 2kd0 h LYS 35 Ca -0.00 -0.33 0.10 0.00 -1.27 0.00 0.00 60.65 59.14 2kd0 h LYS 35 Cb 0.18 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 2kd0 h LYS 35 CO 0.01 0.94 0.59 0.22 -2.27 0.00 0.00 179.45 178.94 2kd0 h ASP 36 N 0.35 0.90 -0.26 4.20 1.82 -1.45 -1.11 116.42 120.87 2kd0 h ASP 36 Ca 0.04 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2kd0 h ASP 36 Cb 0.82 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 2kd0 h ASP 36 CO 0.06 0.52 0.10 -0.07 -1.61 0.00 0.00 179.24 178.24 2kd0 h LEU 37 N 1.00 0.13 -0.72 2.28 3.38 -1.18 0.34 115.31 120.54 2kd0 h LEU 37 Ca 0.45 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.57 2kd0 h LEU 37 Cb 0.36 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2kd0 h LEU 37 CO -0.23 0.11 0.27 0.11 0.09 0.00 0.00 178.44 178.79 2kd0 h LYS 38 N 0.23 0.41 -0.26 1.13 1.57 -0.77 0.96 116.57 119.84 2kd0 h LYS 38 Ca 0.11 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2kd0 h LYS 38 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2kd0 h LYS 38 CO -0.10 0.27 -0.35 1.03 -0.57 0.00 0.00 179.45 179.73 2kd0 h SER 39 N 0.42 0.60 -0.18 0.86 0.87 -0.83 -1.58 113.55 113.72 2kd0 h SER 39 Ca 0.39 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2kd0 h SER 39 Cb 0.56 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2kd0 h SER 39 CO -0.39 0.90 -0.23 1.56 -0.53 0.00 0.00 176.83 178.15 2kd0 h GLN 40 N 0.49 0.46 0.00 2.24 4.20 -0.00 -3.30 115.11 119.19 2kd0 h GLN 40 Ca 0.05 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.35 2kd0 h GLN 40 Cb 0.84 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2kd0 h GLN 40 CO 0.07 0.85 -0.71 -0.07 -0.67 0.00 0.00 178.83 178.30 2kd0 h LEU 41 N 0.11 0.00 -0.33 1.46 3.38 -0.85 -3.36 115.31 115.72 2kd0 h LEU 41 Ca 0.02 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2kd0 h LEU 41 Cb 0.79 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2kd0 h LEU 41 CO 0.05 0.71 -0.18 -0.61 0.09 0.00 0.00 178.44 178.50 2kd0 h GLN 42 N 0.00 -0.13 0.00 1.13 4.15 -1.36 0.24 115.11 119.13 2kd0 h GLN 42 Ca -0.01 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kd0 h GLN 42 Cb 1.26 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2kd0 h GLN 42 CO 0.09 -0.09 0.00 -1.35 -1.93 0.00 0.00 178.83 175.55 2kd0 h PRO 43 N -0.14 0.00 0.00 -2.39 0.11 -1.75 0.19 132.00 128.02 2kd0 h PRO 43 Ca 0.17 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 2kd0 h PRO 43 Cb 0.40 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2kd0 h PRO 43 CO -0.42 0.00 -0.98 0.82 -0.21 0.00 0.00 178.00 177.22 2kd0 h ILE 44 N 0.00 0.69 0.00 4.15 2.04 -1.17 -3.41 117.51 119.82 2kd0 h ILE 44 Ca 0.00 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 2kd0 h ILE 44 Cb 0.37 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2kd0 h ILE 44 CO 0.00 0.24 -1.52 0.35 0.00 0.00 0.00 178.15 177.22 2kd0 n THR 45 N -4.50 0.36 -2.02 -0.27 -2.24 0.64 -4.99 114.28 101.26 2kd0 n THR 45 Ca -0.24 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 60.89 2kd0 n THR 45 Cb 0.55 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.49 -3.96 -4.63 3.42 3.02 0.66 -5.03 115.26 106.26 2kd0 n ASN 46 Ca -0.03 0.06 -0.34 0.00 -0.03 0.00 0.00 54.58 54.24 2kd0 n ASN 46 Cb 0.58 -3.01 -0.10 0.00 -0.61 0.00 0.00 39.78 36.63 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 -2.56 4.03 0.15 2.41 0.11 -1.26 -5.06 120.40 118.22 2kd0 s VAL 47 Ca 0.00 -0.35 -0.34 0.00 -2.93 0.00 0.00 61.98 58.36 2kd0 s VAL 47 Cb 0.00 -2.68 -0.15 0.00 -1.53 0.00 0.00 36.38 32.02 2kd0 s VAL 47 CO 0.00 0.60 1.40 0.18 -3.33 0.00 0.00 175.10 173.95 2kd0 n LEU 48 N 2.25 2.36 0.22 2.54 4.77 -1.26 -4.63 117.00 123.25 2kd0 n LEU 48 Ca -0.18 1.11 0.07 0.00 -0.03 0.00 0.00 56.01 56.98 2kd0 n LEU 48 Cb 0.53 -1.31 0.58 0.00 -2.33 0.00 0.00 43.42 40.88 2kd0 n LEU 48 CO 0.28 -0.74 1.04 1.55 -1.33 0.00 0.00 177.39 178.19 2kd0 h PRO 49 N 4.77 0.07 -0.47 3.23 0.13 -1.94 -1.03 132.00 136.76 2kd0 h PRO 49 Ca -0.46 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2kd0 h PRO 49 Cb 1.30 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2kd0 h PRO 49 CO 0.80 0.09 -0.06 -0.09 -0.23 0.00 0.00 178.00 178.52 2kd0 h ARG 50 N 0.08 0.82 0.00 0.86 2.43 -1.97 -3.02 114.38 113.58 2kd0 h ARG 50 Ca 0.02 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 58.79 2kd0 h ARG 50 Cb 0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2kd0 h ARG 50 CO 0.00 0.86 -0.68 0.78 -1.51 0.00 0.00 179.97 179.42 2kd0 h GLY 51 N 0.98 0.00 -7.30 2.80 0.00 -1.60 -3.41 103.07 94.53 2kd0 h GLY 51 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 2kd0 h GLY 51 CO 0.03 0.00 0.61 1.20 0.00 0.00 0.00 176.54 178.38 2kd0 s GLN 52 N -3.06 2.05 -0.63 4.80 -0.21 -0.54 -4.38 119.66 117.69 2kd0 s GLN 52 Ca 0.01 -0.61 -0.23 0.00 0.02 0.00 0.00 55.36 54.56 2kd0 s GLN 52 Cb 0.10 -5.09 0.06 0.00 1.00 0.00 0.00 33.01 29.09 2kd0 s GLN 52 CO 0.77 -4.34 0.94 0.15 -2.12 0.00 0.00 175.29 170.69 2kd0 s LYS 53 N 7.39 3.15 -0.25 2.91 1.02 -1.22 -4.96 119.74 127.79 2kd0 s LYS 53 Ca 0.75 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 2kd0 s LYS 53 Cb -0.04 -4.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.08 2kd0 s LYS 53 CO 0.11 -1.72 1.12 -0.51 -0.92 0.00 0.00 175.35 173.43 2kd0 s LEU 54 N 3.96 4.05 -0.23 3.17 1.43 -1.26 -1.65 118.68 128.14 2kd0 s LEU 54 Ca 0.23 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2kd0 s LEU 54 Cb -0.16 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.58 2kd0 s LEU 54 CO 0.12 -0.78 -0.04 -0.63 0.23 0.00 0.00 176.35 175.24 2kd0 s ILE 55 N 3.49 1.43 0.03 -0.59 1.01 0.28 -1.27 121.20 125.59 2kd0 s ILE 55 Ca 0.48 -1.16 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2kd0 s ILE 55 Cb -0.16 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2kd0 s ILE 55 CO 0.12 -0.12 -0.17 0.12 0.00 0.00 0.00 174.94 174.89 2kd0 s PHE 56 N 1.44 1.48 -0.92 3.97 5.36 0.05 -2.28 117.98 127.08 2kd0 s PHE 56 Ca -0.05 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2kd0 s PHE 56 Cb -0.19 -0.89 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 2kd0 s PHE 56 CO -0.06 0.05 0.00 1.63 -1.46 0.00 0.00 175.22 175.37 2kd0 n LYS 57 N 2.02 -1.14 -1.42 10.12 4.76 -1.26 -0.28 118.16 130.97 2kd0 n LYS 57 Ca -0.17 0.74 -0.10 0.00 -2.87 0.00 0.00 58.31 55.91 2kd0 n LYS 57 Cb 0.54 -4.81 -0.04 0.00 -1.84 0.00 0.00 35.03 28.88 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 -0.85 1.03 3.05 0.72 0.00 -1.26 -5.02 105.19 102.85 2kd0 n GLY 58 Ca -0.09 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.09 2.21 0.15 1.61 2.20 0.62 -5.12 119.74 118.31 2kd0 s LYS 59 Ca 0.00 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 2kd0 s LYS 59 Cb 0.00 -1.91 -0.07 0.00 -1.51 0.00 0.00 37.83 34.34 2kd0 s LYS 59 CO 0.00 -0.09 1.17 0.54 -0.36 0.00 0.00 175.35 176.61 2kd0 s VAL 60 N 1.07 3.80 0.18 4.02 0.11 -1.26 -0.77 120.40 127.55 2kd0 s VAL 60 Ca -0.05 1.45 -0.15 0.00 -2.93 0.00 0.00 61.98 60.30 2kd0 s VAL 60 Cb -0.15 -3.93 -0.07 0.00 -1.53 0.00 0.00 36.38 30.70 2kd0 s VAL 60 CO -0.03 0.20 0.60 -0.76 -3.33 0.00 0.00 175.10 171.78 2kd0 s LEU 61 N 0.10 4.32 0.10 2.54 2.01 -0.39 -4.96 118.68 122.39 2kd0 s LEU 61 Ca 0.53 1.16 -0.04 0.00 0.01 0.00 0.00 54.13 55.80 2kd0 s LEU 61 Cb -0.31 -3.41 -0.05 0.00 0.01 0.00 0.00 46.19 42.44 2kd0 s LEU 61 CO 0.34 0.06 0.32 -0.69 1.01 0.00 0.00 176.35 177.39 2kd0 s VAL 62 N -1.52 5.24 0.46 -1.59 1.01 -1.26 -4.81 120.40 117.93 2kd0 s VAL 62 Ca 0.40 -0.04 0.28 0.00 0.00 0.00 0.00 61.98 62.62 2kd0 s VAL 62 Cb -0.15 -3.62 0.47 0.00 0.00 0.00 0.00 36.38 33.09 2kd0 s VAL 62 CO 0.20 0.12 1.75 -0.33 0.00 0.00 0.00 175.10 176.84 2kd0 h GLU 63 N 3.09 0.19 0.00 2.72 5.08 -1.98 0.11 114.58 123.80 2kd0 h GLU 63 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2kd0 h GLU 63 Cb 1.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kd0 h GLU 63 CO 0.72 0.13 0.00 1.79 -1.00 0.00 0.00 179.01 180.65 2kd0 h THR 64 N 0.19 0.00 -3.30 1.13 1.35 -2.00 -3.34 112.91 106.94 2kd0 h THR 64 Ca 0.63 -0.65 -0.57 0.00 -0.55 0.00 0.00 66.41 65.27 2kd0 h THR 64 Cb 2.01 1.65 -0.06 0.00 -1.73 0.00 0.00 68.15 70.03 2kd0 h THR 64 CO -0.20 0.00 0.39 -0.94 -0.25 0.00 0.00 175.52 174.52 2kd0 s SER 65 N -5.10 7.04 0.75 5.36 1.04 0.38 -4.96 113.70 118.21 2kd0 s SER 65 Ca 0.09 1.27 -0.09 0.00 0.48 0.00 0.00 55.95 57.71 2kd0 s SER 65 Cb 0.10 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.81 2kd0 s SER 65 CO 0.62 -0.37 1.09 0.42 0.98 0.00 0.00 173.24 175.98 2kd0 s THR 66 N 1.92 2.32 0.32 2.02 -4.23 -1.26 -1.65 115.64 115.07 2kd0 s THR 66 Ca 0.41 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.92 2kd0 s THR 66 Cb -0.17 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.92 2kd0 s THR 66 CO 0.15 -0.07 1.77 -0.07 -0.54 0.00 0.00 174.62 175.86 2kd0 h LEU 67 N -0.78 0.73 -0.05 4.79 -0.00 -1.67 0.60 115.31 118.93 2kd0 h LEU 67 Ca -0.45 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.52 2kd0 h LEU 67 Cb 1.31 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2kd0 h LEU 67 CO 0.63 0.23 0.01 0.50 -0.00 0.00 0.00 178.44 179.81 2kd0 h LYS 68 N 0.69 0.08 0.00 1.13 3.64 -1.79 0.42 116.57 120.75 2kd0 h LYS 68 Ca 0.59 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 2kd0 h LYS 68 Cb 1.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2kd0 h LYS 68 CO -0.38 0.32 0.00 1.96 -2.27 0.00 0.00 179.45 179.07 2kd0 h GLN 69 N -0.17 0.00 -0.71 1.90 4.20 -1.25 -2.33 115.11 116.74 2kd0 h GLN 69 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kd0 h GLN 69 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2kd0 h GLN 69 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 2kd0 n SER 70 N -2.41 4.13 -0.60 1.46 7.64 0.19 -4.80 113.62 119.23 2kd0 n SER 70 Ca 0.01 -2.11 -0.08 0.00 1.01 0.00 0.00 58.87 57.71 2kd0 n SER 70 Cb 0.20 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.51 -5.15 -4.77 6.43 8.00 -0.88 -4.97 116.55 116.72 2kd0 n ASP 71 Ca 0.25 0.19 -0.39 0.00 0.71 0.00 0.00 54.79 55.55 2kd0 n ASP 71 Cb 0.68 -3.34 -0.06 0.00 -0.02 0.00 0.00 41.12 38.38 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 -1.89 4.27 0.30 2.53 1.01 0.13 -5.03 120.40 121.72 2kd0 s VAL 72 Ca 0.00 1.81 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2kd0 s VAL 72 Cb 0.00 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2kd0 s VAL 72 CO 0.00 0.46 0.31 -0.83 0.00 0.00 0.00 175.10 175.05 2kd0 s GLY 73 N -1.23 1.78 -0.28 4.51 0.00 -1.26 -4.49 107.32 106.35 2kd0 s GLY 73 Ca 0.39 -1.76 -0.28 0.00 0.00 0.00 0.00 44.72 43.07 2kd0 s GLY 73 CO 0.27 -1.27 1.99 -0.45 0.00 0.00 0.00 173.10 173.64 2kd0 s SER 74 N -3.26 5.69 0.00 1.64 0.15 -1.26 -1.29 113.70 115.37 2kd0 s SER 74 Ca 0.36 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.59 2kd0 s SER 74 Cb 0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2kd0 s SER 74 CO 0.21 -1.83 0.00 0.61 1.20 0.00 0.00 173.24 173.43 2kd0 n GLY 75 N 5.58 1.22 3.72 9.45 0.00 0.57 -4.78 105.19 120.95 2kd0 n GLY 75 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 3.29 -0.67 4.61 0.00 -0.41 -4.89 121.76 121.69 2kd0 s ALA 76 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 2kd0 s ALA 76 Cb 0.00 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.84 2kd0 s ALA 76 CO 0.00 -0.27 0.91 0.15 0.00 0.00 0.00 175.76 176.56 2kd0 s LYS 77 N 0.65 3.14 -0.35 0.00 1.02 -1.26 -1.43 119.74 121.50 2kd0 s LYS 77 Ca 0.53 -1.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.29 2kd0 s LYS 77 Cb -0.26 -4.31 -0.00 0.00 -0.52 0.00 0.00 37.83 32.75 2kd0 s LYS 77 CO 0.30 -1.74 0.50 -0.51 -0.92 0.00 0.00 175.35 172.98 2kd0 s LEU 78 N 3.57 4.38 -0.15 3.17 1.43 0.60 -4.84 118.68 126.83 2kd0 s LEU 78 Ca 0.20 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 2kd0 s LEU 78 Cb -0.18 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2kd0 s LEU 78 CO 0.07 -0.48 1.08 -0.32 0.23 0.00 0.00 176.35 176.93 2kd0 s MET 79 N 2.37 4.32 -0.36 1.70 -2.45 -0.97 -0.85 119.30 123.07 2kd0 s MET 79 Ca 0.18 1.46 -0.03 0.00 -1.25 0.00 0.00 55.69 56.05 2kd0 s MET 79 Cb -0.16 -3.61 0.08 0.00 1.25 0.00 0.00 34.83 32.39 2kd0 s MET 79 CO 0.13 -0.51 0.11 -1.17 1.05 0.00 0.00 175.02 174.64 2kd0 s LEU 80 N 2.70 4.64 -1.09 4.11 2.96 -0.94 -0.55 118.68 130.51 2kd0 s LEU 80 Ca 0.49 -1.66 -0.22 0.00 -0.22 0.00 0.00 54.13 52.51 2kd0 s LEU 80 Cb -0.18 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.73 2kd0 s LEU 80 CO 0.14 -0.41 1.73 -0.32 -1.32 0.00 0.00 176.35 176.17 2kd0 s MET 81 N 1.20 3.23 0.12 1.98 -2.45 -0.66 -3.98 119.30 118.73 2kd0 s MET 81 Ca 0.02 -1.14 0.01 0.00 -1.25 0.00 0.00 55.69 53.33 2kd0 s MET 81 Cb -0.21 -5.31 -0.00 0.00 1.25 0.00 0.00 34.83 30.56 2kd0 s MET 81 CO -0.02 -2.84 0.02 0.00 1.05 0.00 0.00 175.02 173.22 2kd0 n ALA 82 N 11.05 0.13 -4.01 4.11 0.00 -1.26 -3.39 120.51 127.14 2kd0 n ALA 82 Ca 0.41 -0.56 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 2kd0 n ALA 82 Cb 0.48 0.35 -0.15 0.00 0.00 0.00 0.00 19.45 20.12 2kd0 n ALA 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kd0 s SER 83 N -1.68 3.62 0.02 0.00 0.15 -1.26 -4.87 113.70 109.68 2kd0 s SER 83 Ca 0.03 -0.80 0.23 0.00 0.70 0.00 0.00 55.95 56.11 2kd0 s SER 83 Cb 0.00 -1.54 0.16 0.00 -1.71 0.00 0.00 66.02 62.94 2kd0 s SER 83 CO 0.02 -0.05 1.15 1.67 1.20 0.00 0.00 173.24 177.23 2kd0 n GLN 84 N 4.60 0.12 0.00 5.44 0.00 -1.26 -4.97 117.38 121.31 2kd0 n GLN 84 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.81 2kd0 n GLN 84 Cb 0.48 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.18 2kd0 n GLN 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47