#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 2.75 -1.22 3.03 0.00 -1.26 -4.99 107.32 105.64 2kd0 s GLY 2 Ca 0.00 -3.47 -0.21 0.00 0.00 0.00 0.00 44.72 41.04 2kd0 s GLY 2 CO 0.00 1.20 1.87 -1.58 0.00 0.00 0.00 173.10 174.59 2kd0 s HIS 3 N -0.39 2.21 0.47 1.90 5.04 -1.26 -4.95 115.29 118.31 2kd0 s HIS 3 Ca 0.21 -0.19 -0.23 0.00 -1.54 0.00 0.00 55.06 53.31 2kd0 s HIS 3 Cb -0.13 -4.24 -0.09 0.00 0.04 0.00 0.00 32.58 28.16 2kd0 s HIS 3 CO -0.07 -1.39 0.96 -2.39 -2.34 0.00 0.00 174.74 169.50 2kd0 n HIS 4 N 12.50 0.93 -3.68 3.88 -0.00 -1.26 -5.03 115.22 122.57 2kd0 n HIS 4 Ca 0.46 0.52 -0.15 0.00 -0.00 0.00 0.00 57.72 58.56 2kd0 n HIS 4 Cb 0.46 -2.19 -0.08 0.00 -0.00 0.00 0.00 29.99 28.19 2kd0 n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kd0 s HIS 5 N -1.36 -0.34 -0.08 -1.40 -0.00 -1.26 -5.04 115.29 105.81 2kd0 s HIS 5 Ca 0.66 0.54 0.20 0.00 -0.00 0.00 0.00 55.06 56.47 2kd0 s HIS 5 Cb -0.52 0.20 -0.31 0.00 -0.00 0.00 0.00 32.58 31.95 2kd0 s HIS 5 CO 0.55 -0.46 0.36 0.72 -0.00 0.00 0.00 174.74 175.90 2kd0 n HIS 6 N 1.15 0.00 -3.72 0.38 8.25 -1.26 -5.05 115.22 114.96 2kd0 n HIS 6 Ca -0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.21 2kd0 n HIS 6 Cb 0.56 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 2kd0 n HIS 6 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kd0 s HIS 7 N -3.20 -0.16 0.10 4.41 0.00 -1.26 -5.15 115.29 110.04 2kd0 s HIS 7 Ca -0.08 -0.13 -0.30 0.00 -3.00 0.00 0.00 55.06 51.55 2kd0 s HIS 7 Cb 0.11 0.63 -0.06 0.00 -4.00 0.00 0.00 32.58 29.27 2kd0 s HIS 7 CO 0.87 -0.80 0.95 -3.38 -1.00 0.00 0.00 174.74 171.38 2kd0 s HIS 8 N -3.27 3.80 0.52 0.38 0.00 -1.26 -5.07 115.29 110.39 2kd0 s HIS 8 Ca 0.11 1.78 0.07 0.00 -3.00 0.00 0.00 55.06 54.01 2kd0 s HIS 8 Cb -0.01 -3.04 0.03 0.00 -4.00 0.00 0.00 32.58 25.55 2kd0 s HIS 8 CO 0.01 0.20 0.44 -1.54 -1.00 0.00 0.00 174.74 172.86 2kd0 s SER 9 N 0.03 4.78 -0.24 7.38 1.04 -1.26 -5.11 113.70 120.32 2kd0 s SER 9 Ca 0.47 -1.08 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 2kd0 s SER 9 Cb -0.23 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2kd0 s SER 9 CO 0.29 -1.02 0.35 -1.00 0.98 0.00 0.00 173.24 172.84 2kd0 s HIS 10 N -2.69 3.30 -0.57 5.02 4.02 -1.26 -5.04 115.29 118.09 2kd0 s HIS 10 Ca 0.41 0.45 -0.27 0.00 1.02 0.00 0.00 55.06 56.67 2kd0 s HIS 10 Cb -0.03 -2.50 -0.00 0.00 -1.02 0.00 0.00 32.58 29.03 2kd0 s HIS 10 CO 0.25 -0.10 1.63 0.45 1.02 0.00 0.00 174.74 178.00 2kd0 s SER 11 N 1.32 5.75 0.00 1.40 0.15 -1.26 -4.99 113.70 116.08 2kd0 s SER 11 Ca 0.15 0.37 0.06 0.00 0.70 0.00 0.00 55.95 57.23 2kd0 s SER 11 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 2kd0 s SER 11 CO 0.08 -1.99 -0.17 0.42 1.20 0.00 0.00 173.24 172.78 2kd0 s THR 12 N 7.36 2.84 -0.21 6.45 -4.23 -1.26 -4.02 115.64 122.57 2kd0 s THR 12 Ca 0.60 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 2kd0 s THR 12 Cb -0.13 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2kd0 s THR 12 CO 0.23 0.45 0.06 0.27 -0.54 0.00 0.00 174.62 175.09 2kd0 s ILE 13 N -0.83 4.51 -0.69 2.99 -4.36 0.71 -4.90 121.20 118.63 2kd0 s ILE 13 Ca 0.13 -0.12 -0.26 0.00 -0.26 0.00 0.00 60.65 60.14 2kd0 s ILE 13 Cb -0.10 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.54 2kd0 s ILE 13 CO 0.03 0.41 1.72 -0.54 0.24 0.00 0.00 174.94 176.80 2kd0 s LYS 14 N 0.92 2.79 0.30 0.37 1.02 -1.26 -2.56 119.74 121.31 2kd0 s LYS 14 Ca 0.03 0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.34 2kd0 s LYS 14 Cb -0.14 -4.45 -0.02 0.00 -0.52 0.00 0.00 37.83 32.70 2kd0 s LYS 14 CO 0.03 -2.65 0.38 -0.51 -0.92 0.00 0.00 175.35 171.68 2kd0 s LEU 15 N 8.25 3.99 -0.36 3.17 1.43 0.08 -0.86 118.68 134.38 2kd0 s LEU 15 Ca 0.59 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2kd0 s LEU 15 Cb -0.10 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.57 2kd0 s LEU 15 CO 0.16 -0.28 0.12 -0.89 0.23 0.00 0.00 176.35 175.69 2kd0 s THR 16 N -2.14 1.61 -0.21 5.49 2.01 -0.71 -0.66 115.64 121.03 2kd0 s THR 16 Ca 0.40 -2.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.13 2kd0 s THR 16 Cb -0.09 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 2kd0 s THR 16 CO 0.29 -0.70 0.37 0.54 -0.69 0.00 0.00 174.62 174.42 2kd0 s VAL 17 N 0.96 5.22 -0.35 3.82 0.11 0.11 -0.46 120.40 129.80 2kd0 s VAL 17 Ca 0.12 0.63 -0.13 0.00 -2.93 0.00 0.00 61.98 59.67 2kd0 s VAL 17 Cb -0.20 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 30.94 2kd0 s VAL 17 CO -0.12 0.26 0.25 -0.54 -3.33 0.00 0.00 175.10 171.61 2kd0 s LYS 18 N 1.32 3.39 -1.18 1.54 1.02 0.25 -0.20 119.74 125.89 2kd0 s LYS 18 Ca 0.17 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.24 2kd0 s LYS 18 Cb -0.15 -3.83 0.05 0.00 -0.52 0.00 0.00 37.83 33.38 2kd0 s LYS 18 CO 0.08 -0.50 1.64 -0.06 -0.92 0.00 0.00 175.35 175.59 2kd0 s PHE 19 N 1.71 2.62 0.00 3.18 0.08 0.97 -1.55 117.98 124.99 2kd0 s PHE 19 Ca 0.06 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 55.93 2kd0 s PHE 19 Cb -0.18 -4.69 0.00 0.00 -0.57 0.00 0.00 43.02 37.59 2kd0 s PHE 19 CO 0.10 -1.83 0.00 0.41 -0.10 0.00 0.00 175.22 173.80 2kd0 n GLY 20 N 6.03 0.66 0.05 4.36 0.00 -1.19 -1.44 105.19 113.66 2kd0 n GLY 20 Ca 0.42 0.50 0.11 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 -1.21 3.56 -0.02 0.00 -1.26 -4.86 105.19 101.40 2kd0 n GLY 21 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.41 3.29 -0.71 1.61 -0.14 -0.52 -4.98 119.74 114.89 2kd0 s LYS 22 Ca -0.03 -0.02 -0.27 0.00 -1.36 0.00 0.00 55.97 54.29 2kd0 s LYS 22 Cb 0.12 -4.13 0.03 0.00 -1.68 0.00 0.00 37.83 32.18 2kd0 s LYS 22 CO 0.85 -1.99 1.23 -1.54 -0.76 0.00 0.00 175.35 173.14 2kd0 s SER 23 N 3.61 6.21 -0.36 2.83 1.04 -1.26 -0.02 113.70 125.75 2kd0 s SER 23 Ca 0.39 -0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.26 2kd0 s SER 23 Cb -0.08 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 2kd0 s SER 23 CO 0.19 -1.74 0.30 -0.63 0.98 0.00 0.00 173.24 172.34 2kd0 s ILE 24 N 5.43 5.23 -0.40 -1.02 -1.09 0.72 -4.94 121.20 125.14 2kd0 s ILE 24 Ca 0.35 -0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 2kd0 s ILE 24 Cb -0.09 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2kd0 s ILE 24 CO 0.16 -0.12 1.29 -2.84 -1.23 0.00 0.00 174.94 172.20 2kd0 s PRO 25 N 1.82 3.72 -0.04 2.79 0.02 -1.26 -0.72 135.00 141.34 2kd0 s PRO 25 Ca 0.08 0.91 0.02 0.00 0.02 0.00 0.00 61.00 62.03 2kd0 s PRO 25 Cb -0.17 -3.94 0.01 0.00 0.02 0.00 0.00 34.50 30.41 2kd0 s PRO 25 CO 0.11 -1.38 -0.07 -0.51 -0.33 0.00 0.00 177.00 174.82 2kd0 s LEU 26 N 4.83 1.58 -0.39 -5.54 1.43 0.16 -4.99 118.68 115.76 2kd0 s LEU 26 Ca 0.56 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 2kd0 s LEU 26 Cb -0.12 -0.52 0.05 0.00 0.03 0.00 0.00 46.19 45.63 2kd0 s LEU 26 CO 0.29 0.01 0.21 -0.94 0.23 0.00 0.00 176.35 176.15 2kd0 s SER 27 N 0.55 5.64 0.44 2.29 1.04 -1.26 -0.74 113.70 121.67 2kd0 s SER 27 Ca -0.08 -1.22 0.06 0.00 0.48 0.00 0.00 55.95 55.19 2kd0 s SER 27 Cb -0.12 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 2kd0 s SER 27 CO 0.01 -0.44 0.18 0.68 0.98 0.00 0.00 173.24 174.65 2kd0 s VAL 28 N 1.48 2.05 -0.02 5.02 -7.23 -1.06 -4.76 120.40 115.87 2kd0 s VAL 28 Ca 0.02 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 2kd0 s VAL 28 Cb -0.21 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 2kd0 s VAL 28 CO 0.04 0.00 1.00 -0.55 -0.31 0.00 0.00 175.10 175.28 2kd0 s SER 29 N -3.95 7.33 0.45 4.85 0.15 -1.26 -0.21 113.70 121.07 2kd0 s SER 29 Ca 0.35 1.65 0.31 0.00 0.70 0.00 0.00 55.95 58.96 2kd0 s SER 29 Cb 0.03 -2.57 1.57 0.00 -1.71 0.00 0.00 66.02 63.34 2kd0 s SER 29 CO 0.20 -0.31 1.94 1.55 1.20 0.00 0.00 173.24 177.81 2kd0 h PRO 30 N 6.87 0.00 -0.01 5.44 0.13 -1.94 -1.54 132.00 140.95 2kd0 h PRO 30 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kd0 h PRO 30 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kd0 h PRO 30 CO 0.78 0.00 -0.13 -0.25 -0.23 0.00 0.00 178.00 178.17 2kd0 n ASP 31 N -2.63 1.09 -4.81 1.44 8.00 -1.26 -2.11 116.55 116.27 2kd0 n ASP 31 Ca -0.01 -1.08 -0.36 0.00 0.71 0.00 0.00 54.79 54.06 2kd0 n ASP 31 Cb 0.12 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.69 4.60 -0.80 0.00 -4.23 -1.26 -2.74 115.64 109.51 2kd0 s THR 33 Ca 0.49 1.06 0.13 0.00 -1.18 0.00 0.00 61.69 62.19 2kd0 s THR 33 Cb -0.16 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.09 2kd0 s THR 33 CO 0.20 -0.62 1.40 1.33 -0.54 0.00 0.00 174.62 176.39 2kd0 n VAL 34 N -1.46 1.25 0.11 2.29 0.24 -0.20 -1.62 118.33 118.95 2kd0 n VAL 34 Ca 0.05 0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 62.63 2kd0 n VAL 34 Cb 0.54 -1.26 -0.07 0.00 -1.47 0.00 0.00 33.84 31.58 2kd0 n VAL 34 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2kd0 h LYS 35 N 0.00 -0.34 -0.59 7.34 3.64 -1.78 -3.29 116.57 121.54 2kd0 h LYS 35 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2kd0 h LYS 35 Cb 0.17 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2kd0 h LYS 35 CO 0.00 -0.00 0.39 0.22 -2.27 0.00 0.00 179.45 177.79 2kd0 h ASP 36 N -0.94 0.55 -0.66 4.20 3.58 -1.67 -2.04 116.42 119.44 2kd0 h ASP 36 Ca -0.04 -0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.54 2kd0 h ASP 36 Cb 0.49 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.33 2kd0 h ASP 36 CO 0.06 0.37 0.18 -0.07 -2.88 0.00 0.00 179.24 176.90 2kd0 h LEU 37 N 0.63 0.08 -1.44 2.28 3.38 -1.41 0.75 115.31 119.59 2kd0 h LEU 37 Ca 0.25 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 2kd0 h LEU 37 Cb 0.19 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kd0 h LEU 37 CO -0.07 0.03 -0.28 0.11 0.09 0.00 0.00 178.44 178.32 2kd0 h LYS 38 N 0.31 0.00 -0.03 1.13 1.57 -1.44 0.13 116.57 118.24 2kd0 h LYS 38 Ca 0.35 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.98 2kd0 h LYS 38 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2kd0 h LYS 38 CO -0.42 0.28 -0.69 1.03 -0.57 0.00 0.00 179.45 179.09 2kd0 h SER 39 N 0.00 0.18 0.06 0.86 0.87 -1.04 -2.24 113.55 112.24 2kd0 h SER 39 Ca -0.00 -0.11 -0.23 0.00 -1.23 0.00 0.00 61.79 60.21 2kd0 h SER 39 Cb 0.51 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2kd0 h SER 39 CO 0.04 0.81 -0.93 1.56 -0.53 0.00 0.00 176.83 177.78 2kd0 h GLN 40 N 0.10 0.52 0.00 2.24 4.20 -0.00 -3.31 115.11 118.86 2kd0 h GLN 40 Ca -0.02 -0.64 -0.07 0.00 0.06 0.00 0.00 58.65 57.98 2kd0 h GLN 40 Cb 1.23 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 2kd0 h GLN 40 CO 0.10 1.26 -0.34 -0.07 -0.67 0.00 0.00 178.83 179.11 2kd0 h LEU 41 N 0.07 0.00 0.07 1.46 3.38 -0.85 -3.34 115.31 116.11 2kd0 h LEU 41 Ca -0.13 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2kd0 h LEU 41 Cb 1.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.35 2kd0 h LEU 41 CO 0.18 0.34 -0.24 -0.61 0.09 0.00 0.00 178.44 178.20 2kd0 h GLN 42 N 0.00 -0.40 0.00 1.13 4.15 -1.49 -0.75 115.11 117.75 2kd0 h GLN 42 Ca -0.00 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 2kd0 h GLN 42 Cb 0.80 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2kd0 h GLN 42 CO 0.04 -0.27 -0.21 -1.00 -1.93 0.00 0.00 178.83 175.47 2kd0 h PRO 43 N -0.41 0.00 0.05 -2.39 0.13 -1.75 0.21 132.00 127.84 2kd0 h PRO 43 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2kd0 h PRO 43 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2kd0 h PRO 43 CO -0.17 0.21 -0.03 0.82 -0.23 0.00 0.00 178.00 178.61 2kd0 h ILE 44 N 0.00 1.06 0.00 -3.56 2.04 -1.53 -3.37 117.51 112.14 2kd0 h ILE 44 Ca -0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 2kd0 h ILE 44 Cb 0.61 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2kd0 h ILE 44 CO 0.03 0.33 -1.23 0.41 0.00 0.00 0.00 178.15 177.69 2kd0 n THR 45 N -4.76 0.02 -2.77 -0.27 -1.04 -0.34 -5.02 114.28 100.09 2kd0 n THR 45 Ca -0.07 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 2kd0 n THR 45 Cb 0.29 0.66 0.04 0.00 -1.82 0.00 0.00 70.33 69.50 2kd0 n THR 45 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2kd0 n ASN 46 N -1.73 -5.76 -3.75 8.00 3.02 0.71 -5.06 115.26 110.69 2kd0 n ASN 46 Ca 0.02 -0.39 -0.14 0.00 -0.03 0.00 0.00 54.58 54.04 2kd0 n ASN 46 Cb 0.40 -4.11 -0.15 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.20 -0.07 0.33 2.41 0.11 -1.15 -5.05 120.40 113.78 2kd0 s VAL 47 Ca 0.24 0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.24 2kd0 s VAL 47 Cb -0.03 -0.20 -0.10 0.00 -1.53 0.00 0.00 36.38 34.53 2kd0 s VAL 47 CO 0.56 0.09 0.98 -0.76 -3.33 0.00 0.00 175.10 172.64 2kd0 s LEU 48 N 1.26 4.34 0.55 2.54 1.43 -1.26 -4.11 118.68 123.43 2kd0 s LEU 48 Ca -0.08 1.94 0.28 0.00 -1.03 0.00 0.00 54.13 55.24 2kd0 s LEU 48 Cb -0.12 -3.99 1.46 0.00 0.03 0.00 0.00 46.19 43.57 2kd0 s LEU 48 CO -0.05 -0.16 1.95 1.55 0.23 0.00 0.00 176.35 179.87 2kd0 h PRO 49 N 3.15 0.00 -0.39 1.29 0.13 -1.93 -0.15 132.00 134.09 2kd0 h PRO 49 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2kd0 h PRO 49 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2kd0 h PRO 49 CO 0.65 0.00 0.26 -0.09 -0.23 0.00 0.00 178.00 178.59 2kd0 h ARG 50 N 0.00 0.34 -0.02 0.86 2.43 -1.98 -2.16 114.38 113.85 2kd0 h ARG 50 Ca 0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2kd0 h ARG 50 Cb 1.18 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2kd0 h ARG 50 CO -0.00 0.22 -0.40 0.41 -1.51 0.00 0.00 179.97 178.69 2kd0 n GLY 51 N -1.52 0.17 3.47 2.80 0.00 -0.09 -4.82 105.19 105.20 2kd0 n GLY 51 Ca 0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.38 3.66 -0.78 1.61 -0.21 -0.81 -4.33 119.66 116.43 2kd0 s GLN 52 Ca 0.19 -1.74 -0.23 0.00 0.02 0.00 0.00 55.36 53.60 2kd0 s GLN 52 Cb 0.18 -5.03 0.07 0.00 1.00 0.00 0.00 33.01 29.23 2kd0 s GLN 52 CO 0.52 -1.86 1.15 0.15 -2.12 0.00 0.00 175.29 173.13 2kd0 s LYS 53 N 3.01 3.28 -0.40 2.91 1.02 -1.23 -4.97 119.74 123.37 2kd0 s LYS 53 Ca 0.37 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 2kd0 s LYS 53 Cb -0.03 -4.50 0.02 0.00 -0.52 0.00 0.00 37.83 32.80 2kd0 s LYS 53 CO -0.08 -1.95 1.15 -0.51 -0.92 0.00 0.00 175.35 173.04 2kd0 s LEU 54 N 4.40 3.76 -0.12 3.17 1.43 -1.26 -1.07 118.68 128.99 2kd0 s LEU 54 Ca 0.31 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2kd0 s LEU 54 Cb -0.10 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2kd0 s LEU 54 CO 0.05 -1.12 -0.19 -0.63 0.23 0.00 0.00 176.35 174.69 2kd0 s ILE 55 N 4.24 1.80 -0.23 -0.59 1.01 0.16 -2.15 121.20 125.45 2kd0 s ILE 55 Ca 0.49 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2kd0 s ILE 55 Cb -0.10 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.80 2kd0 s ILE 55 CO 0.25 0.50 -0.14 0.12 0.00 0.00 0.00 174.94 175.67 2kd0 s PHE 56 N 0.83 3.09 -0.41 3.97 5.36 0.14 -1.10 117.98 129.86 2kd0 s PHE 56 Ca -0.08 -2.08 0.00 0.00 -0.96 0.00 0.00 56.93 53.81 2kd0 s PHE 56 Cb -0.16 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 2kd0 s PHE 56 CO -0.01 -0.85 0.00 1.63 -1.46 0.00 0.00 175.22 174.53 2kd0 n LYS 57 N 4.50 -1.81 0.00 10.12 4.76 -1.26 -1.42 118.16 133.05 2kd0 n LYS 57 Ca -0.17 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 2kd0 n LYS 57 Cb 0.45 -5.04 0.00 0.00 -1.84 0.00 0.00 35.03 28.60 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 0.57 2.08 3.75 0.72 0.00 -1.26 -5.10 105.19 105.95 2kd0 n GLY 58 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.20 4.08 0.09 1.61 2.20 -0.51 -5.08 119.74 121.94 2kd0 s LYS 59 Ca 0.00 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 2kd0 s LYS 59 Cb 0.00 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.88 2kd0 s LYS 59 CO 0.00 0.37 1.03 0.08 -0.36 0.00 0.00 175.35 176.47 2kd0 s VAL 60 N 0.15 4.38 -0.08 4.02 1.01 -1.26 -0.69 120.40 127.94 2kd0 s VAL 60 Ca 0.09 1.89 -0.27 0.00 0.00 0.00 0.00 61.98 63.69 2kd0 s VAL 60 Cb -0.11 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2kd0 s VAL 60 CO -0.01 0.25 0.87 -0.76 0.00 0.00 0.00 175.10 175.45 2kd0 s LEU 61 N 0.29 4.29 0.25 3.92 2.01 -0.91 -4.97 118.68 123.55 2kd0 s LEU 61 Ca 0.50 1.40 -0.30 0.00 0.01 0.00 0.00 54.13 55.74 2kd0 s LEU 61 Cb -0.25 -3.36 -0.09 0.00 0.01 0.00 0.00 46.19 42.50 2kd0 s LEU 61 CO 0.30 -0.29 1.23 0.54 1.01 0.00 0.00 176.35 179.15 2kd0 s VAL 62 N 1.40 3.24 0.35 -1.59 0.11 -1.26 -4.93 120.40 117.72 2kd0 s VAL 62 Ca 0.44 1.13 0.09 0.00 -2.93 0.00 0.00 61.98 60.71 2kd0 s VAL 62 Cb -0.19 -3.72 0.32 0.00 -1.53 0.00 0.00 36.38 31.26 2kd0 s VAL 62 CO 0.20 0.22 1.86 -0.33 -3.33 0.00 0.00 175.10 173.72 2kd0 h GLU 63 N 4.45 0.68 0.00 1.54 5.08 -1.96 -0.61 114.58 123.76 2kd0 h GLU 63 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2kd0 h GLU 63 Cb 1.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kd0 h GLU 63 CO 0.71 0.45 0.00 0.25 -1.00 0.00 0.00 179.01 179.42 2kd0 n THR 64 N -4.58 0.83 -3.38 1.13 -2.24 -1.26 -3.11 114.28 101.66 2kd0 n THR 64 Ca 0.18 0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.78 2kd0 n THR 64 Cb 0.48 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.51 6.88 0.54 3.42 0.15 -0.24 -4.95 113.70 115.99 2kd0 s SER 65 Ca 0.07 1.08 0.03 0.00 0.70 0.00 0.00 55.95 57.83 2kd0 s SER 65 Cb 0.10 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 62.16 2kd0 s SER 65 CO 0.35 0.20 0.75 0.42 1.20 0.00 0.00 173.24 176.17 2kd0 s THR 66 N -1.28 2.67 0.09 6.45 -4.23 -1.26 -1.03 115.64 117.05 2kd0 s THR 66 Ca 0.32 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 59.82 2kd0 s THR 66 Cb -0.17 -2.95 -0.14 0.00 1.34 0.00 0.00 72.50 70.59 2kd0 s THR 66 CO 0.18 0.00 1.66 -0.07 -0.54 0.00 0.00 174.62 175.85 2kd0 h LEU 67 N 0.13 -0.55 -1.33 4.79 -0.00 -1.51 -0.79 115.31 116.06 2kd0 h LEU 67 Ca -0.41 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.52 2kd0 h LEU 67 Cb 1.29 0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 42.09 2kd0 h LEU 67 CO 0.50 -0.33 0.45 0.50 -0.00 0.00 0.00 178.44 179.56 2kd0 h LYS 68 N -0.51 0.90 -0.37 1.13 3.64 -1.49 0.19 116.57 120.07 2kd0 h LYS 68 Ca -0.02 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 2kd0 h LYS 68 Cb 0.44 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2kd0 h LYS 68 CO -0.00 0.60 -0.28 1.96 -2.27 0.00 0.00 179.45 179.46 2kd0 h GLN 69 N 0.93 0.79 -0.78 1.90 4.20 -1.75 -3.03 115.11 117.36 2kd0 h GLN 69 Ca 0.25 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2kd0 h GLN 69 Cb -0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2kd0 h GLN 69 CO -0.05 0.97 0.02 0.45 -0.67 0.00 0.00 178.83 179.55 2kd0 n SER 70 N -4.09 3.58 -0.24 1.46 2.88 -0.32 -4.88 113.62 112.02 2kd0 n SER 70 Ca -0.01 -2.53 -0.03 0.00 -1.33 0.00 0.00 58.87 54.98 2kd0 n SER 70 Cb 0.47 -0.61 -0.01 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.30 -4.60 -4.46 -3.46 8.00 -0.94 -4.95 116.55 106.44 2kd0 n ASP 71 Ca 0.16 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.31 2kd0 n ASP 71 Cb 0.79 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.12 39.48 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 -1.70 4.38 0.02 2.53 1.01 0.62 -4.98 120.40 122.27 2kd0 s VAL 72 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2kd0 s VAL 72 Cb 0.00 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2kd0 s VAL 72 CO 0.00 -1.52 0.01 0.61 0.00 0.00 0.00 175.10 174.20 2kd0 n GLY 73 N 5.47 3.70 3.56 4.51 0.00 -1.26 -3.62 105.19 117.55 2kd0 n GLY 73 Ca 0.06 -2.20 -0.50 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.43 2.62 0.00 1.61 3.41 -1.26 -0.97 113.62 117.60 2kd0 n SER 74 Ca -0.01 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2kd0 n SER 74 Cb 0.03 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 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 5.57 1.38 3.77 5.00 0.00 -0.04 -4.93 105.19 115.94 2kd0 n GLY 75 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.21 3.25 -0.19 4.61 0.00 -0.14 -4.80 121.76 122.28 2kd0 s ALA 76 Ca 0.00 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 2kd0 s ALA 76 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2kd0 s ALA 76 CO 0.00 -0.57 -0.00 0.15 0.00 0.00 0.00 175.76 175.34 2kd0 s LYS 77 N -2.12 3.64 -0.13 0.00 1.02 -1.26 -1.74 119.74 119.15 2kd0 s LYS 77 Ca 0.54 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 55.97 2kd0 s LYS 77 Cb -0.34 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2kd0 s LYS 77 CO 0.43 0.06 0.06 -0.51 -0.92 0.00 0.00 175.35 174.48 2kd0 s LEU 78 N 0.86 3.89 -0.47 3.17 1.43 0.39 -4.75 118.68 123.20 2kd0 s LEU 78 Ca 0.01 0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 2kd0 s LEU 78 Cb -0.14 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.19 2kd0 s LEU 78 CO 0.02 0.30 0.47 -0.32 0.23 0.00 0.00 176.35 177.05 2kd0 s MET 79 N -0.40 3.04 -0.51 1.70 -2.45 -0.26 -0.59 119.30 119.84 2kd0 s MET 79 Ca 0.09 -1.09 -0.15 0.00 -1.25 0.00 0.00 55.69 53.29 2kd0 s MET 79 Cb -0.12 -4.09 0.11 0.00 1.25 0.00 0.00 34.83 31.98 2kd0 s MET 79 CO 0.02 -1.04 0.45 -1.17 1.05 0.00 0.00 175.02 174.32 2kd0 s LEU 80 N 2.04 5.93 -1.29 4.11 2.96 -0.60 -0.66 118.68 131.18 2kd0 s LEU 80 Ca 0.09 -1.62 -0.18 0.00 -0.22 0.00 0.00 54.13 52.20 2kd0 s LEU 80 Cb -0.21 -2.19 0.05 0.00 0.50 0.00 0.00 46.19 44.34 2kd0 s LEU 80 CO 0.10 -0.77 1.78 0.80 -1.32 0.00 0.00 176.35 176.94 2kd0 n MET 81 N 5.21 3.01 -4.12 1.98 0.00 -0.23 -3.18 117.12 119.78 2kd0 n MET 81 Ca -0.13 -3.16 -0.13 0.00 -0.00 0.00 0.00 57.70 54.28 2kd0 n MET 81 Cb 0.41 -3.51 -0.11 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 4.93 0.83 0.26 -5.12 0.00 -1.26 -3.54 121.76 117.85 2kd0 s ALA 82 Ca 0.55 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 2kd0 s ALA 82 Cb 0.04 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2kd0 s ALA 82 CO 0.08 -0.08 0.61 -1.54 0.00 0.00 0.00 175.76 174.83 2kd0 s SER 83 N -2.21 -0.21 0.01 0.00 1.04 -1.26 -4.35 113.70 106.73 2kd0 s SER 83 Ca 0.00 -0.70 -0.20 0.00 0.48 0.00 0.00 55.95 55.54 2kd0 s SER 83 Cb -0.04 0.66 -0.21 0.00 0.10 0.00 0.00 66.02 66.54 2kd0 s SER 83 CO -0.01 -1.24 1.16 -0.61 0.98 0.00 0.00 173.24 173.52 2kd0 h GLN 84 N 2.11 0.41 0.00 4.02 5.75 -2.00 -3.51 115.11 121.88 2kd0 h GLN 84 Ca -0.23 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 57.90 2kd0 h GLN 84 Cb 1.25 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.89 2kd0 h GLN 84 CO 0.29 1.02 0.00 0.41 -2.65 0.00 0.00 178.83 177.90