#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 -1.10 1.82 3.03 0.00 -1.26 -4.51 105.19 103.17 2kd0 n GLY 2 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 2kd0 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kd0 n HIS 3 N -2.80 0.16 -4.16 1.61 -0.00 -1.26 -4.81 115.22 103.97 2kd0 n HIS 3 Ca -0.15 -1.35 -0.14 0.00 -0.00 0.00 0.00 57.72 56.08 2kd0 n HIS 3 Cb 0.91 -1.12 -0.11 0.00 -0.00 0.00 0.00 29.99 29.67 2kd0 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd0 s HIS 4 N 0.32 1.00 -0.41 4.41 4.02 -1.26 -4.97 115.29 118.39 2kd0 s HIS 4 Ca 0.38 -0.63 -0.21 0.00 1.02 0.00 0.00 55.06 55.62 2kd0 s HIS 4 Cb 0.19 -0.56 0.03 0.00 -1.02 0.00 0.00 32.58 31.22 2kd0 s HIS 4 CO -0.01 -0.02 0.56 0.72 1.02 0.00 0.00 174.74 177.01 2kd0 n HIS 5 N 0.73 -3.20 0.14 1.40 -0.00 -1.26 -4.92 115.22 108.11 2kd0 n HIS 5 Ca -0.17 1.31 -0.01 0.00 -0.00 0.00 0.00 57.72 58.85 2kd0 n HIS 5 Cb 0.57 -3.34 0.16 0.00 -0.00 0.00 0.00 29.99 27.38 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 2.16 0.00 -3.51 4.41 3.86 -1.94 -3.39 115.15 116.73 2kd0 h HIS 6 Ca -0.16 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.38 2kd0 h HIS 6 Cb 1.05 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 29.13 2kd0 h HIS 6 CO 0.06 0.62 -0.56 -1.58 0.86 0.00 0.00 177.93 177.33 2kd0 s HIS 7 N -3.48 3.43 -0.13 2.45 5.65 -1.26 -5.09 115.29 116.86 2kd0 s HIS 7 Ca -0.01 -2.90 -0.29 0.00 0.25 0.00 0.00 55.06 52.11 2kd0 s HIS 7 Cb 0.12 -3.01 -0.01 0.00 -1.18 0.00 0.00 32.58 28.49 2kd0 s HIS 7 CO 0.76 -0.85 1.11 -1.58 -0.65 0.00 0.00 174.74 173.52 2kd0 s HIS 8 N 0.24 3.28 0.25 3.88 5.65 -1.26 -4.99 115.29 122.33 2kd0 s HIS 8 Ca 0.14 1.37 -0.30 0.00 0.25 0.00 0.00 55.06 56.53 2kd0 s HIS 8 Cb -0.22 -3.32 -0.10 0.00 -1.18 0.00 0.00 32.58 27.76 2kd0 s HIS 8 CO -0.03 -0.80 1.33 -1.54 -0.65 0.00 0.00 174.74 173.04 2kd0 s SER 9 N 1.36 6.82 0.00 9.88 1.04 -1.26 -4.87 113.70 126.67 2kd0 s SER 9 Ca 0.50 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2kd0 s SER 9 Cb -0.20 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.30 2kd0 s SER 9 CO 0.16 -0.55 0.53 1.57 0.98 0.00 0.00 173.24 175.92 2kd0 n HIS 10 N 2.01 0.00 -2.11 5.02 -0.00 -1.26 -5.16 115.22 113.73 2kd0 n HIS 10 Ca 0.04 -0.03 -0.12 0.00 0.46 0.00 0.00 57.72 58.07 2kd0 n HIS 10 Cb 0.42 0.26 0.07 0.00 -0.12 0.00 0.00 29.99 30.62 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kd0 n SER 11 N 0.00 0.46 -4.79 0.26 7.64 -1.26 -5.05 113.62 110.89 2kd0 n SER 11 Ca -0.02 -1.45 -0.23 0.00 1.01 0.00 0.00 58.87 58.19 2kd0 n SER 11 Cb 0.51 -0.37 0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.70 2.29 -0.09 0.44 -4.23 -1.26 -4.49 115.64 106.59 2kd0 s THR 12 Ca 0.34 -0.63 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 2kd0 s THR 12 Cb -0.02 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 2kd0 s THR 12 CO 0.23 0.00 -0.23 0.27 -0.54 0.00 0.00 174.62 174.34 2kd0 s ILE 13 N -3.01 1.98 -0.68 2.99 -4.36 0.06 -4.91 121.20 113.27 2kd0 s ILE 13 Ca 0.63 -0.99 -0.27 0.00 -0.26 0.00 0.00 60.65 59.76 2kd0 s ILE 13 Cb -0.07 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 41.96 2kd0 s ILE 13 CO 0.42 0.54 1.32 -0.54 0.24 0.00 0.00 174.94 176.92 2kd0 s LYS 14 N 0.26 3.24 0.48 0.37 1.02 -1.26 -2.32 119.74 121.53 2kd0 s LYS 14 Ca -0.16 0.01 0.07 0.00 0.02 0.00 0.00 55.97 55.91 2kd0 s LYS 14 Cb -0.17 -4.15 0.01 0.00 -0.52 0.00 0.00 37.83 33.00 2kd0 s LYS 14 CO 0.08 -2.06 0.40 -0.51 -0.92 0.00 0.00 175.35 172.33 2kd0 s LEU 15 N 5.83 3.08 -0.17 3.17 1.43 0.07 -0.27 118.68 131.82 2kd0 s LEU 15 Ca 0.41 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 2kd0 s LEU 15 Cb -0.08 -1.63 0.07 0.00 0.03 0.00 0.00 46.19 44.57 2kd0 s LEU 15 CO 0.19 -0.86 0.12 -0.89 0.23 0.00 0.00 176.35 175.13 2kd0 s THR 16 N -2.61 -0.14 -0.17 5.49 2.01 -1.04 -0.33 115.64 118.85 2kd0 s THR 16 Ca 0.43 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 2kd0 s THR 16 Cb -0.02 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2kd0 s THR 16 CO 0.26 -0.23 0.12 0.54 -0.69 0.00 0.00 174.62 174.61 2kd0 s VAL 17 N 2.18 5.29 -0.30 3.82 0.11 0.16 0.00 120.40 131.66 2kd0 s VAL 17 Ca 0.03 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.05 2kd0 s VAL 17 Cb -0.16 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2kd0 s VAL 17 CO -0.09 0.51 0.45 -1.59 -3.33 0.00 0.00 175.10 171.04 2kd0 s LYS 18 N -0.12 3.84 -0.46 1.54 -2.85 -0.95 -0.32 119.74 120.42 2kd0 s LYS 18 Ca 0.10 -0.02 -0.17 0.00 -1.00 0.00 0.00 55.97 54.87 2kd0 s LYS 18 Cb -0.12 -3.73 0.04 0.00 -2.06 0.00 0.00 37.83 31.97 2kd0 s LYS 18 CO 0.00 -0.45 0.47 -0.06 0.10 0.00 0.00 175.35 175.42 2kd0 s PHE 19 N 2.23 3.16 0.00 1.78 0.08 0.40 -3.63 117.98 121.99 2kd0 s PHE 19 Ca 0.17 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2kd0 s PHE 19 Cb -0.16 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2kd0 s PHE 19 CO 0.11 -0.81 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 2kd0 n GLY 20 N 5.15 0.27 0.10 4.36 0.00 0.19 -0.86 105.19 114.41 2kd0 n GLY 20 Ca -0.08 0.66 0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.02 3.72 -0.02 0.00 -1.26 -4.99 105.19 102.61 2kd0 n GLY 21 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.21 4.32 -0.34 1.61 -0.14 -0.04 -5.06 119.74 118.88 2kd0 s LYS 22 Ca 0.05 0.42 -0.19 0.00 -1.36 0.00 0.00 55.97 54.88 2kd0 s LYS 22 Cb 0.05 -3.45 -0.00 0.00 -1.68 0.00 0.00 37.83 32.75 2kd0 s LYS 22 CO 0.19 0.14 0.55 -1.12 -0.76 0.00 0.00 175.35 174.35 2kd0 s SER 23 N 0.66 6.37 -0.44 2.83 0.01 -1.26 -0.46 113.70 121.40 2kd0 s SER 23 Ca 0.25 0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.52 2kd0 s SER 23 Cb -0.15 -2.29 0.10 0.00 0.21 0.00 0.00 66.02 63.90 2kd0 s SER 23 CO 0.10 -0.50 0.30 -0.63 0.41 0.00 0.00 173.24 172.92 2kd0 s ILE 24 N 2.49 4.08 -0.22 1.44 -1.09 0.57 -4.94 121.20 123.53 2kd0 s ILE 24 Ca 0.21 -1.69 -0.29 0.00 -2.23 0.00 0.00 60.65 56.65 2kd0 s ILE 24 Cb -0.15 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2kd0 s ILE 24 CO 0.13 -0.67 1.38 -2.84 -1.23 0.00 0.00 174.94 171.72 2kd0 s PRO 25 N 1.35 4.01 -0.05 2.79 0.02 -1.26 -0.66 135.00 141.20 2kd0 s PRO 25 Ca 0.05 1.54 0.03 0.00 0.02 0.00 0.00 61.00 62.64 2kd0 s PRO 25 Cb -0.25 -3.89 0.01 0.00 0.02 0.00 0.00 34.50 30.39 2kd0 s PRO 25 CO -0.00 -1.01 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.03 2kd0 s LEU 26 N 4.25 1.75 -0.83 -5.54 1.43 0.56 -4.96 118.68 115.34 2kd0 s LEU 26 Ca 0.60 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 2kd0 s LEU 26 Cb -0.21 -0.76 0.18 0.00 0.03 0.00 0.00 46.19 45.43 2kd0 s LEU 26 CO 0.22 0.07 0.86 -0.94 0.23 0.00 0.00 176.35 176.80 2kd0 s SER 27 N 0.35 6.67 0.37 2.29 1.04 -1.26 -0.75 113.70 122.40 2kd0 s SER 27 Ca -0.08 -2.38 0.07 0.00 0.48 0.00 0.00 55.95 54.04 2kd0 s SER 27 Cb -0.12 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 2kd0 s SER 27 CO 0.02 -0.77 0.46 0.68 0.98 0.00 0.00 173.24 174.61 2kd0 s VAL 28 N 1.14 3.55 0.05 5.02 -7.23 -0.98 -4.73 120.40 117.22 2kd0 s VAL 28 Ca 0.21 -1.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.98 2kd0 s VAL 28 Cb -0.10 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.56 2kd0 s VAL 28 CO -0.08 -0.10 1.29 -0.44 -0.31 0.00 0.00 175.10 175.46 2kd0 s SER 29 N -4.19 6.96 0.31 4.85 0.01 -1.26 -0.76 113.70 119.62 2kd0 s SER 29 Ca 0.47 2.09 -0.01 0.00 1.31 0.00 0.00 55.95 59.81 2kd0 s SER 29 Cb -0.08 -2.57 0.48 0.00 0.21 0.00 0.00 66.02 64.05 2kd0 s SER 29 CO 0.30 -0.59 1.98 1.55 0.41 0.00 0.00 173.24 176.89 2kd0 h PRO 30 N 7.13 1.04 -1.02 12.44 0.13 -1.91 -2.48 132.00 147.32 2kd0 h PRO 30 Ca -0.40 -0.06 -0.36 0.00 -0.87 0.00 0.00 66.00 64.31 2kd0 h PRO 30 Cb 1.20 -0.23 -0.21 0.00 0.13 0.00 0.00 31.00 31.89 2kd0 h PRO 30 CO 0.85 0.69 0.45 -0.25 -0.23 0.00 0.00 178.00 179.51 2kd0 n ASP 31 N -4.41 3.67 -4.73 1.44 8.00 -1.26 -1.03 116.55 118.23 2kd0 n ASP 31 Ca 0.09 -3.10 -0.36 0.00 0.71 0.00 0.00 54.79 52.13 2kd0 n ASP 31 Cb 0.03 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.31 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 0.42 3.23 -0.97 0.00 -4.23 -1.26 -3.16 115.64 109.68 2kd0 s THR 33 Ca 0.14 0.68 0.09 0.00 -1.18 0.00 0.00 61.69 61.42 2kd0 s THR 33 Cb -0.12 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.57 2kd0 s THR 33 CO 0.02 -0.25 1.29 1.33 -0.54 0.00 0.00 174.62 176.47 2kd0 n VAL 34 N -1.75 1.40 0.01 2.29 0.24 -0.60 -0.55 118.33 119.36 2kd0 n VAL 34 Ca 0.11 0.36 -0.18 0.00 -2.04 0.00 0.00 64.34 62.59 2kd0 n VAL 34 Cb 0.51 -1.22 -0.11 0.00 -1.47 0.00 0.00 33.84 31.56 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 0.44 -0.73 7.34 3.64 -1.80 -3.02 116.57 122.44 2kd0 h LYS 35 Ca 0.00 -0.48 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2kd0 h LYS 35 Cb 0.15 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2kd0 h LYS 35 CO 0.00 1.13 0.48 0.22 -2.27 0.00 0.00 179.45 179.01 2kd0 h ASP 36 N -0.05 0.81 -0.35 4.20 1.82 -1.11 -2.57 116.42 119.16 2kd0 h ASP 36 Ca -0.08 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.60 2kd0 h ASP 36 Cb 1.37 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 41.13 2kd0 h ASP 36 CO 0.13 0.58 0.02 -0.07 -1.61 0.00 0.00 179.24 178.29 2kd0 h LEU 37 N 0.96 -0.09 -2.65 2.28 3.38 -1.37 -0.04 115.31 117.78 2kd0 h LEU 37 Ca 0.28 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2kd0 h LEU 37 Cb -0.07 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kd0 h LEU 37 CO -0.08 -0.01 0.09 0.11 0.09 0.00 0.00 178.44 178.65 2kd0 h LYS 38 N 0.13 0.00 0.14 1.13 1.57 -1.32 -0.47 116.57 117.75 2kd0 h LYS 38 Ca 0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.67 2kd0 h LYS 38 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2kd0 h LYS 38 CO -0.26 0.00 -1.41 1.03 -0.57 0.00 0.00 179.45 178.24 2kd0 h SER 39 N 0.00 0.47 -0.60 0.86 0.87 -0.91 -3.36 113.55 110.87 2kd0 h SER 39 Ca 0.01 -0.89 -0.06 0.00 -1.23 0.00 0.00 61.79 59.62 2kd0 h SER 39 Cb 0.20 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2kd0 h SER 39 CO -0.00 1.63 0.14 1.56 -0.53 0.00 0.00 176.83 179.63 2kd0 h GLN 40 N -0.21 1.00 0.00 2.24 4.20 0.37 -2.89 115.11 119.83 2kd0 h GLN 40 Ca -0.29 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.15 2kd0 h GLN 40 Cb 1.84 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 2kd0 h GLN 40 CO 0.11 0.90 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.91 2kd0 h LEU 41 N 0.95 0.00 0.49 1.46 3.38 -1.34 -3.31 115.31 116.95 2kd0 h LEU 41 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2kd0 h LEU 41 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kd0 h LEU 41 CO 0.00 0.19 -0.25 1.56 0.09 0.00 0.00 178.44 180.04 2kd0 h GLN 42 N 0.00 -0.65 0.00 1.13 4.20 -1.65 0.52 115.11 118.66 2kd0 h GLN 42 Ca -0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2kd0 h GLN 42 Cb 0.54 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2kd0 h GLN 42 CO 0.02 -0.43 0.00 -0.35 -0.67 0.00 0.00 178.83 177.40 2kd0 n PRO 43 N -5.38 0.68 -0.00 1.46 -0.04 -1.24 -1.10 135.00 129.37 2kd0 n PRO 43 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2kd0 n PRO 43 Cb 0.29 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.50 0.61 0.74 0.52 5.41 -0.84 -4.86 119.36 120.44 2kd0 n ILE 44 Ca 0.00 0.24 0.11 0.00 1.00 0.00 0.00 62.75 64.10 2kd0 n ILE 44 Cb 0.00 -1.49 0.11 0.00 -0.71 0.00 0.00 39.64 37.55 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 -3.12 0.12 -1.85 1.39 -2.24 0.12 -4.97 114.28 103.73 2kd0 n THR 45 Ca -0.02 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.05 2kd0 n THR 45 Cb 0.09 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.23 -4.56 -4.74 3.42 3.02 -0.26 -4.58 115.26 108.79 2kd0 n ASN 46 Ca 0.14 0.17 -0.37 0.00 -0.03 0.00 0.00 54.58 54.48 2kd0 n ASN 46 Cb 0.54 -3.52 -0.06 0.00 -0.61 0.00 0.00 39.78 36.13 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 -2.63 5.21 0.27 2.41 0.11 -1.26 -4.99 120.40 119.52 2kd0 s VAL 47 Ca 0.00 0.78 -0.18 0.00 -2.93 0.00 0.00 61.98 59.64 2kd0 s VAL 47 Cb 0.00 -3.73 -0.09 0.00 -1.53 0.00 0.00 36.38 31.04 2kd0 s VAL 47 CO 0.00 0.39 0.74 -0.76 -3.33 0.00 0.00 175.10 172.15 2kd0 s LEU 48 N 0.27 4.24 0.36 2.54 1.43 -1.26 -4.15 118.68 122.11 2kd0 s LEU 48 Ca 0.22 1.40 0.15 0.00 -1.03 0.00 0.00 54.13 54.87 2kd0 s LEU 48 Cb -0.15 -3.80 1.04 0.00 0.03 0.00 0.00 46.19 43.31 2kd0 s LEU 48 CO 0.08 -0.06 1.73 1.55 0.23 0.00 0.00 176.35 179.88 2kd0 h PRO 49 N 2.98 0.43 -0.97 1.29 0.13 -1.93 0.17 132.00 134.09 2kd0 h PRO 49 Ca -0.48 -0.03 0.18 0.00 -0.87 0.00 0.00 66.00 64.80 2kd0 h PRO 49 Cb 1.19 -0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 2kd0 h PRO 49 CO 0.65 0.28 0.57 -0.09 -0.23 0.00 0.00 178.00 179.19 2kd0 h ARG 50 N 0.44 0.73 -0.01 0.86 2.43 -1.98 -1.16 114.38 115.69 2kd0 h ARG 50 Ca 0.65 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 2kd0 h ARG 50 Cb 1.49 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2kd0 h ARG 50 CO -0.43 0.48 -0.21 0.41 -1.51 0.00 0.00 179.97 178.71 2kd0 n GLY 51 N -1.33 -0.63 3.40 2.80 0.00 0.58 -4.68 105.19 105.33 2kd0 n GLY 51 Ca 0.22 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.47 3.84 -0.88 1.61 -0.21 -0.44 -4.18 119.66 116.93 2kd0 s GLN 52 Ca 0.26 -2.42 -0.18 0.00 0.02 0.00 0.00 55.36 53.04 2kd0 s GLN 52 Cb 0.19 -4.76 0.15 0.00 1.00 0.00 0.00 33.01 29.59 2kd0 s GLN 52 CO 0.50 -1.55 1.03 0.15 -2.12 0.00 0.00 175.29 173.30 2kd0 s LYS 53 N 1.01 3.56 -0.53 2.91 1.02 -1.26 -4.96 119.74 121.49 2kd0 s LYS 53 Ca 0.31 -1.86 -0.28 0.00 0.02 0.00 0.00 55.97 54.16 2kd0 s LYS 53 Cb -0.07 -4.76 0.02 0.00 -0.52 0.00 0.00 37.83 32.50 2kd0 s LYS 53 CO -0.07 -1.66 1.35 -0.51 -0.92 0.00 0.00 175.35 173.54 2kd0 s LEU 54 N 2.19 3.47 -0.05 3.17 1.43 -1.26 -2.06 118.68 125.56 2kd0 s LEU 54 Ca 0.28 0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 2kd0 s LEU 54 Cb -0.07 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 2kd0 s LEU 54 CO -0.08 -1.57 -0.25 -0.63 0.23 0.00 0.00 176.35 174.05 2kd0 s ILE 55 N 5.58 2.02 -0.05 -0.59 1.01 -0.54 -1.54 121.20 127.10 2kd0 s ILE 55 Ca 0.52 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 2kd0 s ILE 55 Cb -0.10 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.69 2kd0 s ILE 55 CO 0.27 0.56 -0.00 0.12 0.00 0.00 0.00 174.94 175.89 2kd0 s PHE 56 N -0.20 0.53 -1.86 3.97 5.36 0.18 -0.42 117.98 125.54 2kd0 s PHE 56 Ca -0.02 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 2kd0 s PHE 56 Cb -0.13 -0.63 0.00 0.00 -0.34 0.00 0.00 43.02 41.92 2kd0 s PHE 56 CO 0.03 -0.23 0.00 1.63 -1.46 0.00 0.00 175.22 175.19 2kd0 n LYS 57 N 4.60 -1.48 -0.34 10.12 4.76 -1.26 -1.03 118.16 133.53 2kd0 n LYS 57 Ca -0.17 1.04 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 2kd0 n LYS 57 Cb 0.50 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.26 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 -0.44 0.82 3.17 0.72 0.00 -1.26 -5.08 105.19 103.12 2kd0 n GLY 58 Ca -0.19 -0.09 -0.30 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 -0.67 2.54 -0.00 1.61 2.20 -0.20 -5.11 119.74 120.11 2kd0 s LYS 59 Ca 0.00 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 2kd0 s LYS 59 Cb 0.00 -2.00 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 2kd0 s LYS 59 CO 0.00 0.18 1.19 0.08 -0.36 0.00 0.00 175.35 176.44 2kd0 s VAL 60 N 0.31 4.19 -0.05 4.02 1.01 -1.26 -0.64 120.40 127.97 2kd0 s VAL 60 Ca -0.14 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 2kd0 s VAL 60 Cb -0.16 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2kd0 s VAL 60 CO 0.06 0.05 1.14 -0.76 0.00 0.00 0.00 175.10 175.59 2kd0 s LEU 61 N 1.70 4.28 0.20 3.92 2.01 -0.59 -4.98 118.68 125.23 2kd0 s LEU 61 Ca 0.57 1.75 -0.31 0.00 0.01 0.00 0.00 54.13 56.15 2kd0 s LEU 61 Cb -0.26 -3.56 -0.10 0.00 0.01 0.00 0.00 46.19 42.28 2kd0 s LEU 61 CO 0.25 -0.52 1.46 -0.69 1.01 0.00 0.00 176.35 177.86 2kd0 s VAL 62 N 1.99 2.79 0.38 -1.59 1.01 -1.26 -4.92 120.40 118.80 2kd0 s VAL 62 Ca 0.54 0.62 0.12 0.00 0.00 0.00 0.00 61.98 63.26 2kd0 s VAL 62 Cb -0.23 -3.40 0.34 0.00 0.00 0.00 0.00 36.38 33.09 2kd0 s VAL 62 CO 0.22 0.08 1.86 -0.33 0.00 0.00 0.00 175.10 176.93 2kd0 h GLU 63 N 5.82 0.56 -0.09 2.72 5.08 -1.94 0.08 114.58 126.81 2kd0 h GLU 63 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2kd0 h GLU 63 Cb 1.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2kd0 h GLU 63 CO 0.83 0.37 0.00 0.25 -1.00 0.00 0.00 179.01 179.46 2kd0 n THR 64 N -4.56 0.12 -4.31 1.13 -2.24 -1.26 -3.01 114.28 100.16 2kd0 n THR 64 Ca 0.18 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 2kd0 n THR 64 Cb 0.56 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.40 5.28 0.57 3.42 0.15 0.01 -4.99 113.70 116.75 2kd0 s SER 65 Ca 0.24 0.11 0.03 0.00 0.70 0.00 0.00 55.95 57.02 2kd0 s SER 65 Cb 0.12 -1.46 0.06 0.00 -1.71 0.00 0.00 66.02 63.02 2kd0 s SER 65 CO 0.18 0.34 0.80 0.42 1.20 0.00 0.00 173.24 176.18 2kd0 s THR 66 N -0.98 2.53 0.08 6.45 -4.23 -1.26 -1.56 115.64 116.67 2kd0 s THR 66 Ca 0.16 -0.73 -0.27 0.00 -1.18 0.00 0.00 61.69 59.68 2kd0 s THR 66 Cb -0.11 -2.80 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 2kd0 s THR 66 CO 0.06 0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 175.75 2kd0 h LEU 67 N 0.02 -0.28 -1.18 4.79 -0.00 -1.43 -0.80 115.31 116.43 2kd0 h LEU 67 Ca -0.39 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.43 2kd0 h LEU 67 Cb 1.29 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 42.00 2kd0 h LEU 67 CO 0.47 -0.18 -0.00 0.50 -0.00 0.00 0.00 178.44 179.23 2kd0 h LYS 68 N -0.34 0.56 0.00 1.13 3.64 -1.19 0.18 116.57 120.55 2kd0 h LYS 68 Ca -0.03 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2kd0 h LYS 68 Cb 0.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2kd0 h LYS 68 CO 0.05 0.59 -0.28 1.96 -2.27 0.00 0.00 179.45 179.51 2kd0 h GLN 69 N 0.54 0.00 -0.57 1.90 4.20 -1.76 -2.09 115.11 117.33 2kd0 h GLN 69 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2kd0 h GLN 69 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2kd0 h GLN 69 CO 0.01 0.28 0.00 0.43 -0.67 0.00 0.00 178.83 178.88 2kd0 n SER 70 N -3.54 2.83 -0.83 1.46 7.64 -0.32 -4.90 113.62 115.96 2kd0 n SER 70 Ca -0.01 -2.23 -0.11 0.00 1.01 0.00 0.00 58.87 57.54 2kd0 n SER 70 Cb 0.42 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.55 -4.76 -4.58 6.43 8.00 -0.78 -4.96 116.55 116.45 2kd0 n ASP 71 Ca 0.14 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.48 2kd0 n ASP 71 Cb 0.54 -3.21 -0.04 0.00 -0.02 0.00 0.00 41.12 38.39 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 -2.25 4.43 0.26 2.53 1.01 0.51 -4.97 120.40 121.92 2kd0 s VAL 72 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2kd0 s VAL 72 Cb 0.00 -4.46 0.04 0.00 0.00 0.00 0.00 36.38 31.96 2kd0 s VAL 72 CO 0.00 -0.84 0.31 0.61 0.00 0.00 0.00 175.10 175.18 2kd0 n GLY 73 N 4.85 2.27 3.69 4.51 0.00 -1.26 -3.86 105.19 115.38 2kd0 n GLY 73 Ca 0.08 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.61 6.83 0.00 1.61 1.04 -1.26 -2.71 113.70 116.60 2kd0 s SER 74 Ca 0.24 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.80 2kd0 s SER 74 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2kd0 s SER 74 CO 0.15 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2kd0 n GLY 75 N 3.68 0.87 3.85 7.32 0.00 0.63 -4.86 105.19 116.67 2kd0 n GLY 75 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 3.19 -0.10 4.61 0.00 -1.10 -4.95 121.76 121.41 2kd0 s ALA 76 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2kd0 s ALA 76 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.19 2kd0 s ALA 76 CO 0.00 0.04 -0.14 0.15 0.00 0.00 0.00 175.76 175.81 2kd0 s LYS 77 N -3.55 2.04 -0.09 0.00 1.02 -1.26 -2.49 119.74 115.41 2kd0 s LYS 77 Ca 0.57 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.89 2kd0 s LYS 77 Cb -0.10 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 2kd0 s LYS 77 CO 0.24 -0.07 0.46 -0.51 -0.92 0.00 0.00 175.35 174.55 2kd0 s LEU 78 N 1.00 4.33 -0.78 3.17 1.43 0.10 -4.86 118.68 123.06 2kd0 s LEU 78 Ca -0.07 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 53.69 2kd0 s LEU 78 Cb -0.15 -2.66 0.12 0.00 0.03 0.00 0.00 46.19 43.53 2kd0 s LEU 78 CO -0.01 0.09 0.95 -0.32 0.23 0.00 0.00 176.35 177.28 2kd0 s MET 79 N 0.18 3.37 -0.26 1.70 -2.45 0.44 -2.23 119.30 120.05 2kd0 s MET 79 Ca 0.25 -1.56 -0.17 0.00 -1.25 0.00 0.00 55.69 52.97 2kd0 s MET 79 Cb -0.16 -4.56 -0.03 0.00 1.25 0.00 0.00 34.83 31.33 2kd0 s MET 79 CO 0.11 -1.67 0.46 -1.17 1.05 0.00 0.00 175.02 173.81 2kd0 s LEU 80 N 2.65 4.05 -1.29 4.11 2.96 -1.24 -1.46 118.68 128.46 2kd0 s LEU 80 Ca 0.23 0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 54.44 2kd0 s LEU 80 Cb -0.13 -2.58 0.11 0.00 0.50 0.00 0.00 46.19 44.10 2kd0 s LEU 80 CO -0.02 -0.24 1.74 0.80 -1.32 0.00 0.00 176.35 177.30 2kd0 n MET 81 N 5.43 3.27 -4.10 1.98 0.00 -0.88 -4.43 117.12 118.40 2kd0 n MET 81 Ca -0.06 -3.40 -0.15 0.00 -0.00 0.00 0.00 57.70 54.09 2kd0 n MET 81 Cb 0.50 -3.23 -0.14 0.00 0.00 0.00 0.00 33.22 30.35 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 2.60 0.34 -0.05 -5.12 0.00 -1.26 -4.06 121.76 114.20 2kd0 s ALA 82 Ca 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 2kd0 s ALA 82 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2kd0 s ALA 82 CO 0.02 0.08 -0.05 0.66 0.00 0.00 0.00 175.76 176.47 2kd0 h SER 83 N 6.05 0.00 -3.08 0.00 4.64 -1.91 0.56 113.55 119.80 2kd0 h SER 83 Ca -0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.48 2kd0 h SER 83 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 2kd0 h SER 83 CO 0.50 0.27 0.97 -1.58 -0.87 0.00 0.00 176.83 176.12 2kd0 s GLN 84 N -1.42 3.96 0.00 4.77 -0.44 -1.26 -4.15 119.66 121.13 2kd0 s GLN 84 Ca -0.04 1.34 0.00 0.00 -2.50 0.00 0.00 55.36 54.16 2kd0 s GLN 84 Cb 0.01 -3.87 0.00 0.00 -1.64 0.00 0.00 33.01 27.51 2kd0 s GLN 84 CO 0.06 -1.06 0.00 0.41 0.50 0.00 0.00 175.29 175.21