#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 -3.62 3.56 3.03 0.00 -1.26 -4.80 105.19 102.10 2kd0 n GLY 2 Ca 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 46.02 46.33 2kd0 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kd0 s HIS 3 N -1.69 1.72 -0.06 1.61 -0.00 -1.26 -4.95 115.29 110.67 2kd0 s HIS 3 Ca 0.05 0.80 -0.11 0.00 -0.00 0.00 0.00 55.06 55.80 2kd0 s HIS 3 Cb -0.01 -3.97 -0.05 0.00 -0.00 0.00 0.00 32.58 28.55 2kd0 s HIS 3 CO 0.72 -1.72 0.27 -1.01 -0.00 0.00 0.00 174.74 173.00 2kd0 s HIS 4 N 10.69 3.66 0.18 0.38 0.09 -1.26 -5.11 115.29 123.93 2kd0 s HIS 4 Ca 0.73 0.76 0.10 0.00 -0.00 0.00 0.00 55.06 56.65 2kd0 s HIS 4 Cb -0.07 -2.11 -0.04 0.00 -0.00 0.00 0.00 32.58 30.35 2kd0 s HIS 4 CO 0.00 0.69 -0.22 -1.01 -0.00 0.00 0.00 174.74 174.21 2kd0 s HIS 5 N -1.06 2.12 0.01 1.40 0.09 -1.26 -5.15 115.29 111.43 2kd0 s HIS 5 Ca 0.20 -0.40 0.00 0.00 -0.00 0.00 0.00 55.06 54.86 2kd0 s HIS 5 Cb -0.14 -1.06 -0.00 0.00 -0.00 0.00 0.00 32.58 31.38 2kd0 s HIS 5 CO 0.09 0.43 0.00 0.72 -0.00 0.00 0.00 174.74 175.98 2kd0 n HIS 6 N 0.32 -0.01 -0.05 1.40 -0.00 -1.26 -5.08 115.22 110.55 2kd0 n HIS 6 Ca -0.13 -0.06 -0.14 0.00 -0.00 0.00 0.00 57.72 57.38 2kd0 n HIS 6 Cb 0.56 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.43 2kd0 n HIS 6 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kd0 h HIS 7 N 1.02 0.05 0.00 4.41 -0.00 -2.08 -3.47 115.15 115.08 2kd0 h HIS 7 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2kd0 h HIS 7 Cb 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2kd0 h HIS 7 CO 0.00 0.92 0.00 1.58 -0.00 0.00 0.00 177.93 180.43 2kd0 n HIS 8 N -4.62 0.00 0.21 2.45 -0.00 -1.26 -4.72 115.22 107.27 2kd0 n HIS 8 Ca -0.10 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.74 2kd0 n HIS 8 Cb 0.46 -0.84 0.03 0.00 -0.00 0.00 0.00 29.99 29.64 2kd0 n HIS 8 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2kd0 h SER 9 N 0.00 0.00 0.00 0.26 4.64 -2.02 -3.38 113.55 113.05 2kd0 h SER 9 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2kd0 h SER 9 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kd0 h SER 9 CO 0.00 0.03 0.07 -0.74 -0.87 0.00 0.00 176.83 175.32 2kd0 h HIS 10 N 0.00 0.00 -3.98 4.77 2.76 -2.00 -3.37 115.15 113.34 2kd0 h HIS 10 Ca 0.00 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.63 2kd0 h HIS 10 Cb 0.94 0.00 0.11 0.00 1.55 0.00 0.00 27.41 30.01 2kd0 h HIS 10 CO 0.00 0.00 0.66 0.45 -1.30 0.00 0.00 177.93 177.74 2kd0 s SER 11 N -4.55 6.00 -0.19 3.26 0.15 -1.26 -4.77 113.70 112.34 2kd0 s SER 11 Ca -0.04 2.80 -0.24 0.00 0.70 0.00 0.00 55.95 59.17 2kd0 s SER 11 Cb 0.09 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2kd0 s SER 11 CO 0.30 -1.08 0.76 0.42 1.20 0.00 0.00 173.24 174.84 2kd0 s THR 12 N -1.24 4.93 0.22 6.45 -4.23 -1.26 -4.27 115.64 116.23 2kd0 s THR 12 Ca 0.60 1.46 -0.14 0.00 -1.18 0.00 0.00 61.69 62.43 2kd0 s THR 12 Cb -0.41 -4.06 -0.08 0.00 1.34 0.00 0.00 72.50 69.29 2kd0 s THR 12 CO 0.52 0.05 0.62 0.27 -0.54 0.00 0.00 174.62 175.54 2kd0 s ILE 13 N 2.14 4.78 -0.21 2.99 -4.36 0.11 -4.77 121.20 121.87 2kd0 s ILE 13 Ca 0.34 0.86 -0.18 0.00 -0.26 0.00 0.00 60.65 61.41 2kd0 s ILE 13 Cb -0.16 -3.70 -0.03 0.00 1.25 0.00 0.00 42.46 39.81 2kd0 s ILE 13 CO 0.11 0.07 0.52 -0.54 0.24 0.00 0.00 174.94 175.34 2kd0 s LYS 14 N -2.39 4.16 -0.04 0.37 1.02 -1.25 -2.01 119.74 119.60 2kd0 s LYS 14 Ca 0.45 0.39 0.05 0.00 0.02 0.00 0.00 55.97 56.88 2kd0 s LYS 14 Cb -0.13 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2kd0 s LYS 14 CO 0.20 -0.20 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.73 2kd0 s LEU 15 N 1.80 2.50 -0.43 3.17 1.43 -0.27 -2.02 118.68 124.86 2kd0 s LEU 15 Ca 0.23 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2kd0 s LEU 15 Cb -0.15 -1.48 0.10 0.00 0.03 0.00 0.00 46.19 44.68 2kd0 s LEU 15 CO 0.09 0.33 0.26 -0.89 0.23 0.00 0.00 176.35 176.37 2kd0 s THR 16 N -0.62 3.91 -0.24 5.49 2.01 -0.93 -0.79 115.64 124.47 2kd0 s THR 16 Ca 0.09 -1.70 -0.10 0.00 0.31 0.00 0.00 61.69 60.29 2kd0 s THR 16 Cb -0.11 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2kd0 s THR 16 CO 0.00 -0.63 0.15 0.54 -0.69 0.00 0.00 174.62 174.00 2kd0 s VAL 17 N 1.32 5.28 -1.06 3.82 0.11 -1.01 -0.20 120.40 128.66 2kd0 s VAL 17 Ca 0.05 0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 2kd0 s VAL 17 Cb -0.24 -3.46 0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2kd0 s VAL 17 CO -0.01 0.34 1.46 -0.54 -3.33 0.00 0.00 175.10 173.03 2kd0 s LYS 18 N 1.09 3.66 -1.18 1.54 1.02 0.60 -1.47 119.74 125.01 2kd0 s LYS 18 Ca 0.07 -1.34 -0.15 0.00 0.02 0.00 0.00 55.97 54.57 2kd0 s LYS 18 Cb -0.14 -5.34 0.15 0.00 -0.52 0.00 0.00 37.83 31.98 2kd0 s LYS 18 CO 0.05 -2.17 1.44 0.12 -0.92 0.00 0.00 175.35 173.87 2kd0 s PHE 19 N 4.58 3.32 -1.23 3.18 2.19 0.46 -1.49 117.98 128.99 2kd0 s PHE 19 Ca 0.46 -1.92 -0.04 0.00 0.33 0.00 0.00 56.93 55.76 2kd0 s PHE 19 Cb 0.00 -4.39 -0.01 0.00 -1.31 0.00 0.00 43.02 37.31 2kd0 s PHE 19 CO -0.07 -1.49 0.79 0.41 1.83 0.00 0.00 175.22 176.69 2kd0 n GLY 20 N 4.57 -0.52 1.89 13.12 0.00 -1.25 -1.69 105.19 121.31 2kd0 n GLY 20 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.47 3.06 3.47 -0.02 0.00 -1.26 -5.01 105.19 103.96 2kd0 n GLY 21 Ca -0.24 0.00 -0.43 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 -0.51 3.16 -0.91 1.61 -0.14 -0.68 -5.01 119.74 117.26 2kd0 s LYS 22 Ca 0.00 -0.75 -0.24 0.00 -1.36 0.00 0.00 55.97 53.63 2kd0 s LYS 22 Cb 0.00 -4.06 0.05 0.00 -1.68 0.00 0.00 37.83 32.14 2kd0 s LYS 22 CO 0.00 -1.19 1.34 -1.54 -0.76 0.00 0.00 175.35 173.19 2kd0 s SER 23 N 2.55 6.39 -0.17 2.83 1.04 -1.26 -0.40 113.70 124.68 2kd0 s SER 23 Ca 0.17 -1.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.18 2kd0 s SER 23 Cb -0.18 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 2kd0 s SER 23 CO 0.14 -1.56 0.76 -0.63 0.98 0.00 0.00 173.24 172.93 2kd0 s ILE 24 N 4.91 4.94 -0.49 -1.02 -1.09 -0.54 -4.87 121.20 123.04 2kd0 s ILE 24 Ca 0.40 1.47 -0.27 0.00 -2.23 0.00 0.00 60.65 60.03 2kd0 s ILE 24 Cb -0.04 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2kd0 s ILE 24 CO -0.01 0.07 1.02 -2.16 -1.23 0.00 0.00 174.94 172.63 2kd0 s PRO 25 N 1.97 3.55 0.33 2.79 0.04 -1.26 -2.40 135.00 140.02 2kd0 s PRO 25 Ca 0.35 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.69 2kd0 s PRO 25 Cb -0.16 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 2kd0 s PRO 25 CO 0.12 -1.36 0.29 -0.51 0.04 0.00 0.00 177.00 175.58 2kd0 s LEU 26 N 4.12 3.60 -0.28 -3.56 1.43 0.03 -4.95 118.68 119.08 2kd0 s LEU 26 Ca 0.40 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2kd0 s LEU 26 Cb -0.09 -2.21 0.14 0.00 0.03 0.00 0.00 46.19 44.05 2kd0 s LEU 26 CO 0.27 -0.34 0.31 -0.94 0.23 0.00 0.00 176.35 175.88 2kd0 s SER 27 N -3.99 1.34 0.24 2.29 1.04 -1.26 -1.12 113.70 112.25 2kd0 s SER 27 Ca 0.41 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2kd0 s SER 27 Cb -0.06 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 2kd0 s SER 27 CO 0.26 -0.37 0.06 0.68 0.98 0.00 0.00 173.24 174.85 2kd0 s VAL 28 N 2.40 0.69 0.18 5.02 -7.23 -0.85 -4.86 120.40 115.75 2kd0 s VAL 28 Ca 0.09 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.00 2kd0 s VAL 28 Cb -0.14 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 2kd0 s VAL 28 CO -0.30 -0.16 0.82 -0.94 -0.31 0.00 0.00 175.10 174.21 2kd0 s SER 29 N -3.29 7.45 0.00 4.85 1.04 -1.26 0.05 113.70 122.54 2kd0 s SER 29 Ca 0.33 1.72 0.11 0.00 0.48 0.00 0.00 55.95 58.59 2kd0 s SER 29 Cb 0.07 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 64.17 2kd0 s SER 29 CO 0.11 0.19 1.26 -0.81 0.98 0.00 0.00 173.24 174.96 2kd0 n PRO 30 N 1.63 0.11 0.15 4.02 -0.04 -1.26 -2.17 135.00 137.43 2kd0 n PRO 30 Ca -0.04 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.66 2kd0 n PRO 30 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.23 3.54 3.32 -1.93 -1.68 116.42 115.45 2kd0 h ASP 31 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2kd0 h ASP 31 Cb 0.12 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.79 2kd0 h ASP 31 CO 0.00 0.54 0.36 0.00 -1.72 0.00 0.00 179.24 178.42 2kd0 s THR 33 N -2.45 5.15 0.51 0.00 -4.23 -1.26 -2.14 115.64 111.22 2kd0 s THR 33 Ca 0.66 -0.57 0.31 0.00 -1.18 0.00 0.00 61.69 60.91 2kd0 s THR 33 Cb -0.20 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.14 2kd0 s THR 33 CO 0.46 -0.45 2.19 -0.37 -0.54 0.00 0.00 174.62 175.90 2kd0 h VAL 34 N 0.96 0.45 -0.44 2.29 -1.51 -1.65 -0.62 116.25 115.72 2kd0 h VAL 34 Ca -0.50 -0.24 -0.11 0.00 -1.23 0.00 0.00 66.70 64.62 2kd0 h VAL 34 Cb 1.22 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2kd0 h VAL 34 CO 0.62 0.05 -0.16 0.50 -1.23 0.00 0.00 177.57 177.35 2kd0 h LYS 35 N 0.00 0.89 0.00 5.19 3.64 -1.84 -0.87 116.57 123.58 2kd0 h LYS 35 Ca -0.00 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2kd0 h LYS 35 Cb 0.16 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2kd0 h LYS 35 CO 0.01 1.02 -0.08 0.22 -2.27 0.00 0.00 179.45 178.35 2kd0 h ASP 36 N 0.72 0.00 0.07 4.20 3.58 -1.44 -2.13 116.42 121.43 2kd0 h ASP 36 Ca 0.10 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.41 2kd0 h ASP 36 Cb 0.72 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.79 2kd0 h ASP 36 CO 0.06 0.08 -0.62 -0.07 -2.88 0.00 0.00 179.24 175.80 2kd0 h LEU 37 N 0.00 0.42 -2.05 2.28 3.38 -1.03 -3.22 115.31 115.09 2kd0 h LEU 37 Ca -0.00 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 2kd0 h LEU 37 Cb 0.51 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kd0 h LEU 37 CO 0.01 1.26 -0.08 0.11 0.09 0.00 0.00 178.44 179.83 2kd0 h LYS 38 N -0.36 0.00 0.00 1.13 1.57 -0.90 0.10 116.57 118.11 2kd0 h LYS 38 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kd0 h LYS 38 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 2kd0 h LYS 38 CO 0.12 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.74 2kd0 h SER 39 N 0.00 0.00 0.03 0.86 4.64 -1.49 -2.87 113.55 114.73 2kd0 h SER 39 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2kd0 h SER 39 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2kd0 h SER 39 CO 0.01 0.00 -1.18 1.56 -0.87 0.00 0.00 176.83 176.35 2kd0 h GLN 40 N 0.00 0.07 0.00 4.77 4.20 -0.89 -3.38 115.11 119.89 2kd0 h GLN 40 Ca 0.00 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2kd0 h GLN 40 Cb 0.85 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 2kd0 h GLN 40 CO 0.00 1.06 -0.10 -0.07 -0.67 0.00 0.00 178.83 179.05 2kd0 h LEU 41 N -0.77 0.00 0.86 1.46 3.38 -1.18 -3.28 115.31 115.79 2kd0 h LEU 41 Ca -0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2kd0 h LEU 41 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2kd0 h LEU 41 CO -0.10 0.10 -0.49 -0.61 0.09 0.00 0.00 178.44 177.42 2kd0 h GLN 42 N 0.00 -1.20 0.00 1.13 4.15 -1.67 -1.97 115.11 115.55 2kd0 h GLN 42 Ca -0.00 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2kd0 h GLN 42 Cb 0.20 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2kd0 h GLN 42 CO 0.01 -0.80 0.00 -0.35 -1.93 0.00 0.00 178.83 175.76 2kd0 n PRO 43 N -5.64 0.01 0.02 -2.39 -0.04 -1.23 0.60 135.00 126.33 2kd0 n PRO 43 Ca -0.15 0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 2kd0 n PRO 43 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2kd0 n PRO 43 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kd0 h ILE 44 N 0.00 0.79 -0.00 0.52 2.04 -1.56 -3.41 117.51 115.89 2kd0 h ILE 44 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2kd0 h ILE 44 Cb 0.11 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2kd0 h ILE 44 CO 0.00 0.84 -0.00 0.35 0.00 0.00 0.00 178.15 179.34 2kd0 n THR 45 N -3.61 0.00 -1.02 -0.27 -2.24 -0.77 -4.99 114.28 101.37 2kd0 n THR 45 Ca -0.29 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 60.99 2kd0 n THR 45 Cb 1.03 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 70.25 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 -0.02 -5.08 -4.74 3.42 3.02 0.20 -4.98 115.26 107.08 2kd0 n ASN 46 Ca 0.00 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 2kd0 n ASN 46 Cb 0.00 -2.64 -0.05 0.00 -0.61 0.00 0.00 39.78 36.48 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 -1.36 4.79 0.45 2.41 1.01 -1.24 -5.02 120.40 121.44 2kd0 s VAL 47 Ca 0.00 1.56 -0.24 0.00 0.00 0.00 0.00 61.98 63.30 2kd0 s VAL 47 Cb 0.00 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2kd0 s VAL 47 CO 0.00 0.36 1.23 -0.76 0.00 0.00 0.00 175.10 175.93 2kd0 s LEU 48 N 0.04 4.07 0.45 3.92 1.43 -1.26 -4.29 118.68 123.04 2kd0 s LEU 48 Ca 0.38 2.48 0.30 0.00 -1.03 0.00 0.00 54.13 56.25 2kd0 s LEU 48 Cb -0.20 -4.12 1.65 0.00 0.03 0.00 0.00 46.19 43.55 2kd0 s LEU 48 CO 0.22 -0.96 1.93 1.55 0.23 0.00 0.00 176.35 179.31 2kd0 h PRO 49 N 2.22 0.00 0.16 1.29 0.13 -1.92 0.22 132.00 134.10 2kd0 h PRO 49 Ca -0.50 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.32 2kd0 h PRO 49 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kd0 h PRO 49 CO 0.61 0.00 -1.48 -0.09 -0.23 0.00 0.00 178.00 176.81 2kd0 h ARG 50 N 0.00 0.34 -0.24 0.86 2.43 -1.96 -3.33 114.38 112.48 2kd0 h ARG 50 Ca 0.00 -0.59 -0.08 0.00 -0.81 0.00 0.00 59.98 58.50 2kd0 h ARG 50 Cb 0.00 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2kd0 h ARG 50 CO 0.00 1.25 -0.18 0.78 -1.51 0.00 0.00 179.97 180.30 2kd0 h GLY 51 N 1.16 0.46 -7.34 2.80 0.00 -1.02 -3.39 103.07 95.74 2kd0 h GLY 51 Ca -0.23 -0.33 -0.46 0.00 0.00 0.00 0.00 47.33 46.31 2kd0 h GLY 51 CO 0.20 0.31 1.14 1.20 0.00 0.00 0.00 176.54 179.39 2kd0 s GLN 52 N -4.62 2.82 -0.69 4.80 -0.21 -0.10 -4.12 119.66 117.53 2kd0 s GLN 52 Ca -0.07 -0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.17 2kd0 s GLN 52 Cb 0.14 -4.68 0.18 0.00 1.00 0.00 0.00 33.01 29.65 2kd0 s GLN 52 CO 0.77 -2.77 0.61 0.15 -2.12 0.00 0.00 175.29 171.93 2kd0 s LYS 53 N 6.56 3.18 -0.56 2.91 1.02 -1.23 -4.93 119.74 126.70 2kd0 s LYS 53 Ca 0.60 -2.21 -0.28 0.00 0.02 0.00 0.00 55.97 54.10 2kd0 s LYS 53 Cb -0.08 -4.24 0.01 0.00 -0.52 0.00 0.00 37.83 32.99 2kd0 s LYS 53 CO 0.09 -1.27 1.51 -0.51 -0.92 0.00 0.00 175.35 174.26 2kd0 s LEU 54 N 0.61 3.38 -0.20 3.17 1.43 -1.26 -1.11 118.68 124.70 2kd0 s LEU 54 Ca 0.13 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2kd0 s LEU 54 Cb -0.18 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2kd0 s LEU 54 CO -0.04 -1.82 -0.10 -0.63 0.23 0.00 0.00 176.35 173.98 2kd0 s ILE 55 N 6.60 2.91 -0.07 -0.59 1.01 0.15 -1.25 121.20 129.96 2kd0 s ILE 55 Ca 0.56 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2kd0 s ILE 55 Cb -0.12 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2kd0 s ILE 55 CO 0.25 0.47 -0.11 0.12 0.00 0.00 0.00 174.94 175.67 2kd0 s PHE 56 N 1.32 1.40 -1.63 3.97 5.36 0.51 -1.38 117.98 127.53 2kd0 s PHE 56 Ca 0.04 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 2kd0 s PHE 56 Cb -0.14 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.48 2kd0 s PHE 56 CO -0.06 -0.31 0.00 1.63 -1.46 0.00 0.00 175.22 175.03 2kd0 n LYS 57 N 4.01 -1.29 -0.67 10.12 4.76 -1.26 -2.19 118.16 131.64 2kd0 n LYS 57 Ca -0.22 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2kd0 n LYS 57 Cb 0.51 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 28.40 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 -0.95 0.71 3.09 0.72 0.00 -1.26 -5.05 105.19 102.45 2kd0 n GLY 58 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.33 1.44 0.09 1.61 2.20 -0.93 -5.12 119.74 118.69 2kd0 s LYS 59 Ca 0.00 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 2kd0 s LYS 59 Cb 0.00 -1.29 -0.06 0.00 -1.51 0.00 0.00 37.83 34.97 2kd0 s LYS 59 CO 0.00 0.22 1.13 0.54 -0.36 0.00 0.00 175.35 176.87 2kd0 s VAL 60 N 0.02 4.13 0.23 4.02 0.11 -1.26 -0.36 120.40 127.29 2kd0 s VAL 60 Ca -0.02 1.62 -0.30 0.00 -2.93 0.00 0.00 61.98 60.35 2kd0 s VAL 60 Cb -0.10 -4.04 -0.09 0.00 -1.53 0.00 0.00 36.38 30.63 2kd0 s VAL 60 CO 0.01 0.18 1.16 -0.76 -3.33 0.00 0.00 175.10 172.35 2kd0 s LEU 61 N 0.57 4.49 0.15 2.54 2.01 -0.38 -4.95 118.68 123.11 2kd0 s LEU 61 Ca 0.54 2.26 -0.31 0.00 0.01 0.00 0.00 54.13 56.64 2kd0 s LEU 61 Cb -0.28 -3.62 -0.08 0.00 0.01 0.00 0.00 46.19 42.22 2kd0 s LEU 61 CO 0.31 -0.28 1.33 -0.69 1.01 0.00 0.00 176.35 178.04 2kd0 s VAL 62 N -0.58 3.34 0.53 -1.59 1.01 -1.26 -4.92 120.40 116.93 2kd0 s VAL 62 Ca 0.49 1.02 0.20 0.00 0.00 0.00 0.00 61.98 63.68 2kd0 s VAL 62 Cb -0.32 -3.65 0.31 0.00 0.00 0.00 0.00 36.38 32.71 2kd0 s VAL 62 CO 0.39 0.11 2.13 -0.33 0.00 0.00 0.00 175.10 177.40 2kd0 h GLU 63 N 6.18 0.00 -0.00 2.72 5.08 -1.95 0.11 114.58 126.71 2kd0 h GLU 63 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2kd0 h GLU 63 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kd0 h GLU 63 CO 0.82 0.00 -0.04 0.25 -1.00 0.00 0.00 179.01 179.04 2kd0 n THR 64 N -4.41 0.00 -3.65 1.13 -2.24 -1.26 -3.39 114.28 100.47 2kd0 n THR 64 Ca -0.00 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 2kd0 n THR 64 Cb 0.20 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.19 6.42 0.76 3.42 0.15 0.36 -5.00 113.70 117.61 2kd0 s SER 65 Ca 0.38 0.49 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 2kd0 s SER 65 Cb 0.21 -2.15 0.05 0.00 -1.71 0.00 0.00 66.02 62.42 2kd0 s SER 65 CO 0.40 0.21 1.13 0.42 1.20 0.00 0.00 173.24 176.60 2kd0 s THR 66 N -0.04 2.73 0.24 6.45 -4.23 -1.26 -2.45 115.64 117.08 2kd0 s THR 66 Ca 0.15 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2kd0 s THR 66 Cb -0.13 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.66 2kd0 s THR 66 CO 0.04 -0.30 1.83 -0.07 -0.54 0.00 0.00 174.62 175.57 2kd0 h LEU 67 N -0.85 1.02 -0.55 4.79 -0.00 -1.15 0.32 115.31 118.90 2kd0 h LEU 67 Ca -0.45 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.27 2kd0 h LEU 67 Cb 1.29 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 2kd0 h LEU 67 CO 0.65 0.88 0.27 0.50 -0.00 0.00 0.00 178.44 180.74 2kd0 h LYS 68 N 1.10 0.79 -0.40 1.13 3.64 -1.56 0.12 116.57 121.39 2kd0 h LYS 68 Ca 0.26 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2kd0 h LYS 68 Cb 0.16 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2kd0 h LYS 68 CO -0.03 0.64 -0.05 1.96 -2.27 0.00 0.00 179.45 179.71 2kd0 h GLN 69 N 0.74 0.66 -0.03 1.90 4.20 -1.76 -2.65 115.11 118.18 2kd0 h GLN 69 Ca 0.19 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kd0 h GLN 69 Cb 0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2kd0 h GLN 69 CO -0.02 0.71 0.00 0.43 -0.67 0.00 0.00 178.83 179.27 2kd0 n SER 70 N -4.22 0.36 -1.04 1.46 7.64 0.08 -4.89 113.62 113.02 2kd0 n SER 70 Ca 0.02 -1.38 -0.14 0.00 1.01 0.00 0.00 58.87 58.38 2kd0 n SER 70 Cb 0.30 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.60 -4.99 -4.61 6.43 8.00 -0.54 -4.94 116.55 115.30 2kd0 n ASP 71 Ca 0.17 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 2kd0 n ASP 71 Cb 0.13 -3.68 -0.02 0.00 -0.02 0.00 0.00 41.12 37.53 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 -2.38 3.74 0.00 2.53 1.01 0.30 -4.99 120.40 120.60 2kd0 s VAL 72 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2kd0 s VAL 72 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2kd0 s VAL 72 CO 0.00 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.25 2kd0 n GLY 73 N 4.94 0.71 0.80 4.51 0.00 -1.26 -4.58 105.19 110.31 2kd0 n GLY 73 Ca 0.19 -1.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.81 2.17 -1.55 1.61 3.41 -1.26 -3.43 113.62 112.75 2kd0 n SER 74 Ca 0.00 -2.02 -0.01 0.00 -0.26 0.00 0.00 58.87 56.58 2kd0 n SER 74 Cb 0.00 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.47 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 0.27 -0.22 3.68 5.00 0.00 -0.85 -3.84 105.19 109.23 2kd0 n GLY 75 Ca 0.01 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.03 3.47 -0.74 4.61 0.00 -1.22 -4.83 121.76 123.07 2kd0 s ALA 76 Ca 0.02 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 2kd0 s ALA 76 Cb 0.09 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 20.00 2kd0 s ALA 76 CO -0.03 -0.63 0.93 0.15 0.00 0.00 0.00 175.76 176.18 2kd0 s LYS 77 N 2.10 3.29 0.32 0.00 1.02 -1.26 -2.18 119.74 123.03 2kd0 s LYS 77 Ca 0.43 -1.40 -0.20 0.00 0.02 0.00 0.00 55.97 54.81 2kd0 s LYS 77 Cb -0.17 -4.49 -0.09 0.00 -0.52 0.00 0.00 37.83 32.56 2kd0 s LYS 77 CO 0.14 -1.69 0.83 -0.51 -0.92 0.00 0.00 175.35 173.21 2kd0 s LEU 78 N 2.93 4.16 -0.36 3.17 1.43 0.71 -4.91 118.68 125.82 2kd0 s LEU 78 Ca 0.22 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.77 2kd0 s LEU 78 Cb -0.14 -4.06 0.03 0.00 0.03 0.00 0.00 46.19 42.04 2kd0 s LEU 78 CO 0.01 -0.15 0.18 -0.32 0.23 0.00 0.00 176.35 176.30 2kd0 s MET 79 N -2.57 2.85 -0.59 1.70 -2.45 -0.48 -0.29 119.30 117.47 2kd0 s MET 79 Ca 0.52 -1.06 -0.19 0.00 -1.25 0.00 0.00 55.69 53.72 2kd0 s MET 79 Cb -0.13 -3.66 0.10 0.00 1.25 0.00 0.00 34.83 32.39 2kd0 s MET 79 CO 0.19 -0.66 0.69 -1.17 1.05 0.00 0.00 175.02 175.11 2kd0 s LEU 80 N 1.53 5.44 -1.09 4.11 2.96 -0.56 -0.67 118.68 130.41 2kd0 s LEU 80 Ca 0.02 -1.45 -0.22 0.00 -0.22 0.00 0.00 54.13 52.26 2kd0 s LEU 80 Cb -0.19 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.23 2kd0 s LEU 80 CO 0.06 -1.09 1.65 -0.32 -1.32 0.00 0.00 176.35 175.33 2kd0 s MET 81 N 2.60 3.42 0.00 1.98 -2.45 -0.27 -3.87 119.30 120.72 2kd0 s MET 81 Ca 0.11 -1.21 -0.01 0.00 -1.25 0.00 0.00 55.69 53.33 2kd0 s MET 81 Cb -0.25 -5.35 -0.01 0.00 1.25 0.00 0.00 34.83 30.48 2kd0 s MET 81 CO 0.06 -2.58 0.00 0.00 1.05 0.00 0.00 175.02 173.55 2kd0 s ALA 82 N 6.21 0.01 0.06 4.11 0.00 -1.26 -3.51 121.76 127.38 2kd0 s ALA 82 Ca 0.54 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 2kd0 s ALA 82 Cb -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 2kd0 s ALA 82 CO -0.02 -0.08 0.33 -1.54 0.00 0.00 0.00 175.76 174.45 2kd0 s SER 83 N -0.68 6.53 0.58 0.00 1.04 -1.26 -4.53 113.70 115.38 2kd0 s SER 83 Ca -0.08 0.62 0.30 0.00 0.48 0.00 0.00 55.95 57.27 2kd0 s SER 83 Cb -0.05 -2.11 1.78 0.00 0.10 0.00 0.00 66.02 65.75 2kd0 s SER 83 CO -0.00 0.18 2.23 -0.61 0.98 0.00 0.00 173.24 176.02 2kd0 h GLN 84 N 3.61 0.00 0.00 4.02 4.15 -1.99 -3.50 115.11 121.40 2kd0 h GLN 84 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2kd0 h GLN 84 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2kd0 h GLN 84 CO 0.68 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 178.01