#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 0.32 2.64 3.03 0.00 -1.26 -5.04 105.19 104.88 2kd0 n GLY 2 Ca 0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2kd0 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kd0 s HIS 3 N -2.96 0.36 0.47 1.61 0.09 -1.26 -5.15 115.29 108.45 2kd0 s HIS 3 Ca 0.17 -0.41 0.05 0.00 -0.00 0.00 0.00 55.06 54.87 2kd0 s HIS 3 Cb -0.08 -0.76 -0.02 0.00 -0.00 0.00 0.00 32.58 31.73 2kd0 s HIS 3 CO 0.21 -0.53 0.16 -1.01 -0.00 0.00 0.00 174.74 173.57 2kd0 s HIS 4 N 2.08 2.15 -0.19 1.40 4.02 -1.26 -5.14 115.29 118.35 2kd0 s HIS 4 Ca 0.01 -0.77 0.01 0.00 1.02 0.00 0.00 55.06 55.33 2kd0 s HIS 4 Cb -0.16 -1.82 0.04 0.00 -1.02 0.00 0.00 32.58 29.62 2kd0 s HIS 4 CO -0.09 0.08 -0.09 -1.01 1.02 0.00 0.00 174.74 174.65 2kd0 s HIS 5 N -2.74 2.29 -1.05 1.40 3.76 -1.26 -5.01 115.29 112.68 2kd0 s HIS 5 Ca 0.28 -1.50 0.08 0.00 -0.15 0.00 0.00 55.06 53.77 2kd0 s HIS 5 Cb 0.03 -1.58 0.37 0.00 1.11 0.00 0.00 32.58 32.50 2kd0 s HIS 5 CO 0.16 -0.72 1.15 0.72 -0.85 0.00 0.00 174.74 175.19 2kd0 n HIS 6 N 4.72 0.84 -2.20 1.40 -0.00 -1.26 -4.92 115.22 113.81 2kd0 n HIS 6 Ca -0.14 -0.31 -0.38 0.00 -0.00 0.00 0.00 57.72 56.89 2kd0 n HIS 6 Cb 0.47 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.99 30.24 2kd0 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd0 s HIS 7 N -1.75 2.88 -0.15 4.41 3.76 -1.26 -5.04 115.29 118.14 2kd0 s HIS 7 Ca 0.25 1.51 -0.06 0.00 -0.15 0.00 0.00 55.06 56.61 2kd0 s HIS 7 Cb 0.18 -3.46 0.06 0.00 1.11 0.00 0.00 32.58 30.47 2kd0 s HIS 7 CO 0.10 -1.65 0.33 -3.38 -0.85 0.00 0.00 174.74 169.30 2kd0 s HIS 8 N -1.44 -0.53 0.23 1.40 -0.00 -1.26 -5.16 115.29 108.53 2kd0 s HIS 8 Ca 0.61 1.13 -0.13 0.00 -0.00 0.00 0.00 55.06 56.67 2kd0 s HIS 8 Cb -0.32 0.13 0.00 0.00 -0.00 0.00 0.00 32.58 32.40 2kd0 s HIS 8 CO 0.39 -0.35 0.46 -1.12 -0.00 0.00 0.00 174.74 174.12 2kd0 s SER 9 N 1.94 -0.10 -0.69 7.38 0.01 -1.26 -5.11 113.70 115.87 2kd0 s SER 9 Ca -0.05 -0.84 -0.27 0.00 1.31 0.00 0.00 55.95 56.11 2kd0 s SER 9 Cb -0.11 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2kd0 s SER 9 CO -0.10 -1.09 1.60 -2.28 0.41 0.00 0.00 173.24 171.77 2kd0 s HIS 10 N -3.98 1.97 0.10 2.43 2.46 -1.26 -4.92 115.29 112.09 2kd0 s HIS 10 Ca 0.19 0.36 0.00 0.00 0.47 0.00 0.00 55.06 56.08 2kd0 s HIS 10 Cb -0.00 -4.35 0.00 0.00 -0.13 0.00 0.00 32.58 28.10 2kd0 s HIS 10 CO 0.06 -2.17 0.13 0.45 -2.47 0.00 0.00 174.74 170.73 2kd0 n SER 11 N 11.19 -0.36 -4.89 9.88 2.88 -1.26 -5.12 113.62 125.94 2kd0 n SER 11 Ca 0.14 -1.58 -0.31 0.00 -1.33 0.00 0.00 58.87 55.80 2kd0 n SER 11 Cb 0.50 0.69 -0.05 0.00 -0.75 0.00 0.00 64.21 64.61 2kd0 n SER 11 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kd0 s THR 12 N -2.51 5.01 0.10 2.46 -4.23 -1.26 -4.10 115.64 111.11 2kd0 s THR 12 Ca 0.09 0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 2kd0 s THR 12 Cb -0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 2kd0 s THR 12 CO 0.07 -0.13 -0.12 0.27 -0.54 0.00 0.00 174.62 174.17 2kd0 s ILE 13 N -1.87 1.09 -0.31 2.99 -4.36 0.67 -4.89 121.20 114.52 2kd0 s ILE 13 Ca 0.45 -1.61 -0.15 0.00 -0.26 0.00 0.00 60.65 59.08 2kd0 s ILE 13 Cb -0.11 -1.36 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 2kd0 s ILE 13 CO 0.25 -0.46 0.36 -0.54 0.24 0.00 0.00 174.94 174.79 2kd0 s LYS 14 N -2.58 3.75 0.11 0.37 1.02 -1.26 -2.50 119.74 118.65 2kd0 s LYS 14 Ca 0.05 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 55.87 2kd0 s LYS 14 Cb -0.05 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 2kd0 s LYS 14 CO 0.01 -0.43 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.46 2kd0 s LEU 15 N 2.05 3.24 -0.43 3.17 2.01 0.54 -0.81 118.68 128.45 2kd0 s LEU 15 Ca 0.13 -0.31 0.03 0.00 0.01 0.00 0.00 54.13 53.99 2kd0 s LEU 15 Cb -0.16 -1.99 0.12 0.00 0.01 0.00 0.00 46.19 44.17 2kd0 s LEU 15 CO 0.11 0.16 0.18 -0.89 1.01 0.00 0.00 176.35 176.92 2kd0 s THR 16 N -1.33 2.12 -0.32 5.49 2.01 0.17 -1.08 115.64 122.69 2kd0 s THR 16 Ca 0.24 -2.71 -0.27 0.00 0.31 0.00 0.00 61.69 59.27 2kd0 s THR 16 Cb -0.11 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.90 2kd0 s THR 16 CO 0.16 -0.74 0.95 -0.69 -0.69 0.00 0.00 174.62 173.61 2kd0 s VAL 17 N 0.36 4.63 -0.43 3.82 1.01 -0.17 -0.42 120.40 129.20 2kd0 s VAL 17 Ca 0.15 1.46 -0.14 0.00 0.00 0.00 0.00 61.98 63.45 2kd0 s VAL 17 Cb -0.23 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 31.90 2kd0 s VAL 17 CO -0.05 -0.40 0.32 -0.54 0.00 0.00 0.00 175.10 174.43 2kd0 s LYS 18 N 3.36 2.90 -1.31 2.72 1.02 -0.02 0.16 119.74 128.57 2kd0 s LYS 18 Ca 0.40 -1.23 -0.18 0.00 0.02 0.00 0.00 55.97 54.98 2kd0 s LYS 18 Cb -0.13 -3.98 0.05 0.00 -0.52 0.00 0.00 37.83 33.26 2kd0 s LYS 18 CO 0.15 -0.89 1.82 1.19 -0.92 0.00 0.00 175.35 176.70 2kd0 n PHE 19 N 5.12 4.37 -3.29 3.18 3.72 -1.21 -2.53 117.46 126.81 2kd0 n PHE 19 Ca -0.12 -2.77 -0.15 0.00 -0.05 0.00 0.00 57.45 54.36 2kd0 n PHE 19 Cb 0.45 -2.62 0.01 0.00 -0.94 0.00 0.00 39.48 36.38 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 5.22 -1.03 1.12 1.37 0.00 -1.26 -2.99 105.19 107.63 2kd0 n GLY 20 Ca 0.49 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.31 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 -1.15 2.58 3.44 -0.02 0.00 -1.26 -5.03 105.19 103.74 2kd0 n GLY 21 Ca -0.08 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 2kd0 n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kd0 n LYS 22 N 0.00 -1.55 -3.79 1.61 4.76 -1.16 -5.02 118.16 113.01 2kd0 n LYS 22 Ca 0.00 -0.42 -0.24 0.00 -2.87 0.00 0.00 58.31 54.78 2kd0 n LYS 22 Cb 0.00 -2.01 -0.17 0.00 -1.84 0.00 0.00 35.03 31.00 2kd0 n LYS 22 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2kd0 s SER 23 N -2.21 1.73 -0.39 4.39 1.04 -1.26 -3.36 113.70 113.63 2kd0 s SER 23 Ca 0.63 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.86 2kd0 s SER 23 Cb -0.20 -0.51 0.08 0.00 0.10 0.00 0.00 66.02 65.49 2kd0 s SER 23 CO 0.65 -0.19 0.19 -0.63 0.98 0.00 0.00 173.24 174.24 2kd0 s ILE 24 N 1.93 3.67 -0.25 -1.02 -1.09 0.12 -4.93 121.20 119.63 2kd0 s ILE 24 Ca 0.05 -1.61 -0.29 0.00 -2.23 0.00 0.00 60.65 56.57 2kd0 s ILE 24 Cb -0.12 -3.30 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2kd0 s ILE 24 CO -0.06 -0.49 1.39 -2.84 -1.23 0.00 0.00 174.94 171.72 2kd0 s PRO 25 N 1.30 3.93 -0.01 2.79 0.02 -1.26 -1.00 135.00 140.77 2kd0 s PRO 25 Ca 0.03 1.44 0.07 0.00 0.02 0.00 0.00 61.00 62.57 2kd0 s PRO 25 Cb -0.22 -3.91 -0.02 0.00 0.02 0.00 0.00 34.50 30.37 2kd0 s PRO 25 CO -0.01 -1.11 -0.23 -0.51 -0.33 0.00 0.00 177.00 174.82 2kd0 s LEU 26 N 4.48 2.07 -0.40 -5.54 1.43 -0.24 -4.98 118.68 115.49 2kd0 s LEU 26 Ca 0.61 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2kd0 s LEU 26 Cb -0.20 -1.18 0.11 0.00 0.03 0.00 0.00 46.19 44.95 2kd0 s LEU 26 CO 0.24 0.27 0.14 -0.94 0.23 0.00 0.00 176.35 176.29 2kd0 s SER 27 N -0.66 4.80 0.49 2.29 1.04 -1.26 -0.34 113.70 120.07 2kd0 s SER 27 Ca 0.09 -2.32 0.02 0.00 0.48 0.00 0.00 55.95 54.21 2kd0 s SER 27 Cb -0.09 -1.68 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 2kd0 s SER 27 CO -0.00 -0.38 0.04 0.68 0.98 0.00 0.00 173.24 174.56 2kd0 s VAL 28 N 0.68 0.90 0.01 5.02 -7.23 -1.04 -4.84 120.40 113.91 2kd0 s VAL 28 Ca 0.12 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2kd0 s VAL 28 Cb -0.21 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2kd0 s VAL 28 CO -0.06 0.00 0.20 -0.44 -0.31 0.00 0.00 175.10 174.49 2kd0 s SER 29 N -3.82 6.37 0.67 4.85 0.01 -1.26 -0.24 113.70 120.29 2kd0 s SER 29 Ca 0.08 0.34 0.44 0.00 1.31 0.00 0.00 55.95 58.12 2kd0 s SER 29 Cb 0.01 -2.00 2.40 0.00 0.21 0.00 0.00 66.02 66.64 2kd0 s SER 29 CO 0.05 0.24 2.36 1.55 0.41 0.00 0.00 173.24 177.85 2kd0 h PRO 30 N 3.62 0.00 0.00 12.44 0.13 -1.95 -0.69 132.00 145.55 2kd0 h PRO 30 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.71 0.00 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.91 2kd0 h ASP 31 N 0.00 0.00 -3.99 1.44 5.19 -1.94 -3.30 116.42 113.82 2kd0 h ASP 31 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 2kd0 h ASP 31 Cb 0.03 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.57 2kd0 h ASP 31 CO -0.00 0.12 0.43 0.00 -3.12 0.00 0.00 179.24 176.67 2kd0 s THR 33 N -1.68 3.26 0.32 0.00 -4.23 -1.26 -2.35 115.64 109.71 2kd0 s THR 33 Ca 0.61 -0.85 0.34 0.00 -1.18 0.00 0.00 61.69 60.61 2kd0 s THR 33 Cb -0.23 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.83 2kd0 s THR 33 CO 0.29 -0.07 2.08 -0.37 -0.54 0.00 0.00 174.62 176.00 2kd0 h VAL 34 N 0.51 0.20 -0.22 2.29 -1.51 -1.41 -1.68 116.25 114.43 2kd0 h VAL 34 Ca -0.43 -0.46 -0.19 0.00 -1.23 0.00 0.00 66.70 64.39 2kd0 h VAL 34 Cb 1.28 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2kd0 h VAL 34 CO 0.50 0.05 -0.62 0.50 -1.23 0.00 0.00 177.57 176.78 2kd0 h LYS 35 N 0.00 0.77 -0.90 5.19 3.64 -1.80 -1.35 116.57 122.13 2kd0 h LYS 35 Ca -0.00 -0.53 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 2kd0 h LYS 35 Cb 0.37 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 2kd0 h LYS 35 CO 0.01 1.15 0.58 0.22 -2.27 0.00 0.00 179.45 179.14 2kd0 h ASP 36 N 0.57 0.96 -0.72 4.20 3.58 -1.61 -1.65 116.42 121.76 2kd0 h ASP 36 Ca -0.01 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2kd0 h ASP 36 Cb 1.22 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 2kd0 h ASP 36 CO 0.13 0.66 0.35 -0.07 -2.88 0.00 0.00 179.24 177.43 2kd0 h LEU 37 N 1.12 0.93 -1.02 2.28 3.38 -1.21 -1.93 115.31 118.86 2kd0 h LEU 37 Ca 0.36 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2kd0 h LEU 37 Cb 0.02 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 2kd0 h LEU 37 CO -0.12 0.80 0.64 0.11 0.09 0.00 0.00 178.44 179.95 2kd0 h LYS 38 N 1.00 1.06 0.00 1.13 1.57 -0.48 0.17 116.57 121.02 2kd0 h LYS 38 Ca 0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2kd0 h LYS 38 Cb 0.10 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2kd0 h LYS 38 CO -0.03 0.70 0.00 -1.13 -0.57 0.00 0.00 179.45 178.42 2kd0 n SER 39 N -4.55 0.55 -0.05 0.86 3.41 -0.69 -2.47 113.62 110.67 2kd0 n SER 39 Ca 0.17 0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 59.13 2kd0 n SER 39 Cb 0.26 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.38 2kd0 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kd0 n GLN 40 N -2.02 0.71 0.07 4.33 6.02 -0.50 -4.48 117.38 121.52 2kd0 n GLN 40 Ca 0.06 0.24 -0.12 0.00 -0.01 0.00 0.00 57.00 57.17 2kd0 n GLN 40 Cb 0.39 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 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 -0.06 0.46 0.09 1.08 3.38 -0.79 -3.35 115.31 116.12 2kd0 h LEU 41 Ca -0.48 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.14 2kd0 h LEU 41 Cb 1.93 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2kd0 h LEU 41 CO -0.01 1.17 -0.22 -0.61 0.09 0.00 0.00 178.44 178.86 2kd0 h GLN 42 N 0.20 -0.38 0.00 1.13 4.15 -1.69 -0.80 115.11 117.71 2kd0 h GLN 42 Ca -0.07 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2kd0 h GLN 42 Cb 1.56 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.33 2kd0 h GLN 42 CO 0.15 -0.26 0.00 -0.35 -1.93 0.00 0.00 178.83 176.45 2kd0 n PRO 43 N -5.34 0.02 -0.09 -2.39 -0.04 -1.26 0.52 135.00 126.42 2kd0 n PRO 43 Ca -0.06 0.51 -0.23 0.00 -0.04 0.00 0.00 63.50 63.68 2kd0 n PRO 43 Cb 0.26 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.62 1.58 0.30 0.52 5.41 -0.67 -4.68 119.36 120.20 2kd0 n ILE 44 Ca -0.00 -0.44 0.04 0.00 1.00 0.00 0.00 62.75 63.35 2kd0 n ILE 44 Cb 0.02 -1.73 0.04 0.00 -0.71 0.00 0.00 39.64 37.26 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 -3.79 0.12 -1.25 1.39 -2.24 -0.40 -4.98 114.28 103.12 2kd0 n THR 45 Ca -0.42 -0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 60.71 2kd0 n THR 45 Cb 0.92 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 70.21 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 0.45 -5.65 -4.71 3.42 3.02 0.19 -4.96 115.26 107.02 2kd0 n ASN 46 Ca 0.05 0.21 -0.41 0.00 -0.03 0.00 0.00 54.58 54.41 2kd0 n ASN 46 Cb 0.23 -3.91 -0.04 0.00 -0.61 0.00 0.00 39.78 35.45 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 -1.79 4.96 0.49 2.41 1.01 -1.25 -5.04 120.40 121.20 2kd0 s VAL 47 Ca 0.00 1.71 -0.22 0.00 0.00 0.00 0.00 61.98 63.48 2kd0 s VAL 47 Cb 0.00 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 2kd0 s VAL 47 CO 0.00 0.19 1.18 -0.76 0.00 0.00 0.00 175.10 175.72 2kd0 s LEU 48 N 1.01 3.92 0.43 3.92 1.43 -1.26 -4.42 118.68 123.72 2kd0 s LEU 48 Ca 0.44 2.34 0.22 0.00 -1.03 0.00 0.00 54.13 56.10 2kd0 s LEU 48 Cb -0.19 -4.33 1.20 0.00 0.03 0.00 0.00 46.19 42.90 2kd0 s LEU 48 CO 0.22 -1.09 1.78 1.55 0.23 0.00 0.00 176.35 179.03 2kd0 h PRO 49 N 1.75 0.30 -0.74 1.29 0.13 -1.91 0.30 132.00 133.12 2kd0 h PRO 49 Ca -0.50 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2kd0 h PRO 49 Cb 1.26 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2kd0 h PRO 49 CO 0.59 0.20 0.44 -0.09 -0.23 0.00 0.00 178.00 178.91 2kd0 h ARG 50 N 0.31 0.80 -0.03 0.86 2.43 -2.01 -2.64 114.38 114.10 2kd0 h ARG 50 Ca 0.59 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.50 2kd0 h ARG 50 Cb 1.66 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2kd0 h ARG 50 CO -0.24 0.53 -0.86 0.78 -1.51 0.00 0.00 179.97 178.67 2kd0 h GLY 51 N 0.83 0.43 -7.35 2.80 0.00 -0.84 -3.40 103.07 95.53 2kd0 h GLY 51 Ca 0.32 -0.71 -0.24 0.00 0.00 0.00 0.00 47.33 46.70 2kd0 h GLY 51 CO -0.16 0.63 0.79 -1.06 0.00 0.00 0.00 176.54 176.73 2kd0 n GLN 52 N -3.77 1.19 -3.13 4.80 6.02 -0.16 -3.69 117.38 118.64 2kd0 n GLN 52 Ca -0.06 -2.26 -0.45 0.00 -0.01 0.00 0.00 57.00 54.22 2kd0 n GLN 52 Cb 0.79 -3.79 -0.04 0.00 1.02 0.00 0.00 30.24 28.22 2kd0 n GLN 52 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2kd0 s LYS 53 N 7.04 3.23 -0.43 -1.09 1.02 -1.24 -4.92 119.74 123.34 2kd0 s LYS 53 Ca 0.72 -1.62 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 2kd0 s LYS 53 Cb -0.02 -4.40 0.02 0.00 -0.52 0.00 0.00 37.83 32.91 2kd0 s LYS 53 CO 0.15 -1.53 1.01 -0.51 -0.92 0.00 0.00 175.35 173.55 2kd0 s LEU 54 N 2.19 3.87 -0.12 3.17 1.43 -1.26 -1.59 118.68 126.37 2kd0 s LEU 54 Ca 0.16 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2kd0 s LEU 54 Cb -0.19 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2kd0 s LEU 54 CO 0.01 -1.06 -0.19 -0.63 0.23 0.00 0.00 176.35 174.71 2kd0 s ILE 55 N 3.91 1.80 -0.07 -0.59 1.01 0.14 -2.75 121.20 124.66 2kd0 s ILE 55 Ca 0.42 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.27 2kd0 s ILE 55 Cb -0.10 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.78 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 0.86 1.59 -2.09 3.97 5.36 0.25 -0.83 117.98 127.09 2kd0 s PHE 56 Ca -0.08 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 2kd0 s PHE 56 Cb -0.15 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 2kd0 s PHE 56 CO -0.01 -0.28 0.00 1.63 -1.46 0.00 0.00 175.22 175.10 2kd0 n LYS 57 N 3.69 -1.43 -0.74 10.12 4.76 -1.26 -0.77 118.16 132.53 2kd0 n LYS 57 Ca -0.22 1.18 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 2kd0 n LYS 57 Cb 0.52 -5.57 0.00 0.00 -1.84 0.00 0.00 35.03 28.14 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 -0.55 0.60 3.27 0.72 0.00 -1.26 -5.06 105.19 102.90 2kd0 n GLY 58 Ca -0.21 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.66 3.07 -0.22 1.61 2.20 0.05 -5.11 119.74 120.68 2kd0 s LYS 59 Ca 0.00 -0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 54.53 2kd0 s LYS 59 Cb 0.00 -2.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.94 2kd0 s LYS 59 CO 0.00 0.22 0.85 0.54 -0.36 0.00 0.00 175.35 176.60 2kd0 s VAL 60 N 0.26 4.83 0.20 4.02 0.11 -1.26 -0.58 120.40 127.98 2kd0 s VAL 60 Ca -0.15 1.63 -0.26 0.00 -2.93 0.00 0.00 61.98 60.28 2kd0 s VAL 60 Cb -0.17 -4.14 -0.08 0.00 -1.53 0.00 0.00 36.38 30.46 2kd0 s VAL 60 CO 0.07 -0.06 0.82 -0.76 -3.33 0.00 0.00 175.10 171.85 2kd0 s LEU 61 N 2.72 4.57 0.37 2.54 2.01 -1.11 -5.02 118.68 124.76 2kd0 s LEU 61 Ca 0.37 1.71 -0.26 0.00 0.01 0.00 0.00 54.13 55.96 2kd0 s LEU 61 Cb -0.16 -3.45 -0.09 0.00 0.01 0.00 0.00 46.19 42.50 2kd0 s LEU 61 CO 0.08 0.16 1.11 -0.69 1.01 0.00 0.00 176.35 178.02 2kd0 s VAL 62 N -1.23 3.44 0.41 -1.59 1.01 -1.26 -4.92 120.40 116.27 2kd0 s VAL 62 Ca 0.39 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.73 2kd0 s VAL 62 Cb -0.23 -3.69 0.34 0.00 0.00 0.00 0.00 36.38 32.81 2kd0 s VAL 62 CO 0.27 0.12 1.92 -0.33 0.00 0.00 0.00 175.10 177.08 2kd0 h GLU 63 N 2.85 0.46 -0.08 2.72 5.08 -1.96 0.12 114.58 123.77 2kd0 h GLU 63 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2kd0 h GLU 63 Cb 1.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2kd0 h GLU 63 CO 0.63 0.31 0.00 0.25 -1.00 0.00 0.00 179.01 179.20 2kd0 n THR 64 N -4.49 0.11 -3.33 1.13 -2.24 -1.26 -2.85 114.28 101.34 2kd0 n THR 64 Ca 0.14 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2kd0 n THR 64 Cb 0.49 -0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2kd0 n THR 64 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kd0 s SER 65 N -1.42 6.60 0.46 3.42 0.01 0.42 -4.97 113.70 118.21 2kd0 s SER 65 Ca 0.24 0.71 -0.07 0.00 1.31 0.00 0.00 55.95 58.13 2kd0 s SER 65 Cb 0.12 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 2kd0 s SER 65 CO 0.19 -0.04 0.79 0.42 0.41 0.00 0.00 173.24 175.01 2kd0 s THR 66 N 0.92 4.86 0.16 1.44 -4.23 -1.26 -1.58 115.64 115.95 2kd0 s THR 66 Ca 0.24 0.39 -0.20 0.00 -1.18 0.00 0.00 61.69 60.94 2kd0 s THR 66 Cb -0.15 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 69.94 2kd0 s THR 66 CO 0.09 -0.74 1.64 -0.07 -0.54 0.00 0.00 174.62 175.00 2kd0 h LEU 67 N 0.60 -0.64 -1.86 4.79 -0.00 -1.54 -2.21 115.31 114.45 2kd0 h LEU 67 Ca -0.47 0.14 0.04 0.00 -0.00 0.00 0.00 57.88 57.59 2kd0 h LEU 67 Cb 1.20 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 42.18 2kd0 h LEU 67 CO 0.63 -0.23 0.18 0.50 -0.00 0.00 0.00 178.44 179.52 2kd0 h LYS 68 N -0.15 0.18 -0.15 1.13 3.64 -1.70 -1.82 116.57 117.70 2kd0 h LYS 68 Ca 0.17 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2kd0 h LYS 68 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2kd0 h LYS 68 CO -0.42 0.12 0.19 1.96 -2.27 0.00 0.00 179.45 179.02 2kd0 h GLN 69 N 0.18 0.00 -0.57 1.90 4.20 -1.71 -0.13 115.11 118.97 2kd0 h GLN 69 Ca 0.12 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.55 2kd0 h GLN 69 Cb 0.24 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.86 2kd0 h GLN 69 CO -0.02 0.00 0.17 0.45 -0.67 0.00 0.00 178.83 178.76 2kd0 n SER 70 N -3.68 3.14 -1.26 1.46 2.88 -0.70 -4.92 113.62 110.54 2kd0 n SER 70 Ca 0.01 -3.63 -0.16 0.00 -1.33 0.00 0.00 58.87 53.75 2kd0 n SER 70 Cb 0.30 -0.70 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 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 -1.01 -5.02 -4.69 -3.46 8.00 -0.06 -4.97 116.55 105.34 2kd0 n ASP 71 Ca 0.41 0.41 -0.42 0.00 0.71 0.00 0.00 54.79 55.89 2kd0 n ASP 71 Cb 1.25 -3.96 -0.03 0.00 -0.02 0.00 0.00 41.12 38.36 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 -2.60 4.39 0.00 2.53 1.01 -1.13 -5.00 120.40 119.61 2kd0 s VAL 72 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2kd0 s VAL 72 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2kd0 s VAL 72 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2kd0 n GLY 73 N 3.24 5.46 3.39 4.51 0.00 -1.26 -4.04 105.19 116.50 2kd0 n GLY 73 Ca 0.10 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 3.81 0.00 1.61 3.41 -1.26 -4.17 113.62 117.02 2kd0 n SER 74 Ca 0.00 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 2kd0 n SER 74 Cb 0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.31 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 5.23 0.41 2.84 5.00 0.00 0.01 -4.66 105.19 114.02 2kd0 n GLY 75 Ca 0.48 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.10 -0.43 4.61 0.00 -1.02 -5.04 121.76 119.98 2kd0 s ALA 76 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 2kd0 s ALA 76 Cb 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.03 2kd0 s ALA 76 CO 0.00 -0.03 0.43 0.15 0.00 0.00 0.00 175.76 176.30 2kd0 s LYS 77 N 0.45 3.06 -0.18 0.00 1.02 -1.26 -0.66 119.74 122.17 2kd0 s LYS 77 Ca -0.04 -0.87 -0.15 0.00 0.02 0.00 0.00 55.97 54.93 2kd0 s LYS 77 Cb -0.06 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 2kd0 s LYS 77 CO -0.01 -0.89 0.36 -0.51 -0.92 0.00 0.00 175.35 173.38 2kd0 s LEU 78 N 2.06 4.20 -0.62 3.17 1.43 0.43 -4.79 118.68 124.56 2kd0 s LEU 78 Ca 0.10 0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 2kd0 s LEU 78 Cb -0.18 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.64 2kd0 s LEU 78 CO 0.12 -0.00 0.90 -0.32 0.23 0.00 0.00 176.35 177.28 2kd0 s MET 79 N 0.94 3.14 -0.56 1.70 -2.45 -0.01 -0.84 119.30 121.22 2kd0 s MET 79 Ca 0.18 -0.79 -0.17 0.00 -1.25 0.00 0.00 55.69 53.67 2kd0 s MET 79 Cb -0.14 -4.19 0.12 0.00 1.25 0.00 0.00 34.83 31.87 2kd0 s MET 79 CO 0.07 -1.68 0.56 -1.17 1.05 0.00 0.00 175.02 173.85 2kd0 s LEU 80 N 3.78 5.97 -1.15 4.11 2.96 -1.05 -0.69 118.68 132.60 2kd0 s LEU 80 Ca 0.22 -1.69 -0.18 0.00 -0.22 0.00 0.00 54.13 52.26 2kd0 s LEU 80 Cb -0.17 -2.24 0.11 0.00 0.50 0.00 0.00 46.19 44.39 2kd0 s LEU 80 CO 0.12 -0.93 1.48 -0.32 -1.32 0.00 0.00 176.35 175.38 2kd0 s MET 81 N 1.90 3.88 0.13 1.98 -2.45 -0.62 -4.02 119.30 120.11 2kd0 s MET 81 Ca 0.05 -1.97 0.10 0.00 -1.25 0.00 0.00 55.69 52.63 2kd0 s MET 81 Cb -0.28 -5.25 -0.04 0.00 1.25 0.00 0.00 34.83 30.51 2kd0 s MET 81 CO 0.04 -2.01 -0.25 0.00 1.05 0.00 0.00 175.02 173.84 2kd0 s ALA 82 N 3.28 2.27 -0.32 4.11 0.00 -1.24 -3.74 121.76 126.12 2kd0 s ALA 82 Ca 0.45 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 2kd0 s ALA 82 Cb -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2kd0 s ALA 82 CO -0.01 0.49 0.49 0.45 0.00 0.00 0.00 175.76 177.18 2kd0 s SER 83 N -2.09 6.32 -0.05 0.00 0.15 -1.26 -4.91 113.70 111.86 2kd0 s SER 83 Ca 0.13 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 2kd0 s SER 83 Cb -0.10 -2.26 0.04 0.00 -1.71 0.00 0.00 66.02 61.99 2kd0 s SER 83 CO 0.06 -0.40 0.09 -1.58 1.20 0.00 0.00 173.24 172.61 2kd0 s GLN 84 N 2.32 -0.01 0.00 5.44 -0.44 -1.26 -4.82 119.66 120.89 2kd0 s GLN 84 Ca 0.18 0.36 0.00 0.00 -2.50 0.00 0.00 55.36 53.41 2kd0 s GLN 84 Cb -0.16 -0.31 0.00 0.00 -1.64 0.00 0.00 33.01 30.90 2kd0 s GLN 84 CO 0.12 -0.24 0.00 0.41 0.50 0.00 0.00 175.29 176.08