#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 3.19 1.55 3.17 0.00 -1.26 -5.00 105.19 106.84 2kd0 n GLY 2 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.03 -2.78 1.61 -0.00 -1.26 -4.70 115.22 108.11 2kd0 n HIS 3 Ca 0.00 -1.06 -0.43 0.00 -0.00 0.00 0.00 57.72 56.23 2kd0 n HIS 3 Cb 0.00 -0.60 -0.02 0.00 -0.00 0.00 0.00 29.99 29.36 2kd0 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd0 s HIS 4 N 0.05 2.92 0.00 4.41 5.65 -1.26 -4.44 115.29 122.63 2kd0 s HIS 4 Ca 0.06 -1.26 0.00 0.00 0.25 0.00 0.00 55.06 54.12 2kd0 s HIS 4 Cb 0.03 -4.45 0.00 0.00 -1.18 0.00 0.00 32.58 26.98 2kd0 s HIS 4 CO -0.00 -1.65 0.00 0.72 -0.65 0.00 0.00 174.74 173.16 2kd0 n HIS 5 N 7.39 0.00 -1.54 3.88 -0.00 -1.26 -4.91 115.22 118.78 2kd0 n HIS 5 Ca 0.29 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.66 2kd0 n HIS 5 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.43 2kd0 n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kd0 n HIS 6 N 0.00 1.28 -4.24 4.41 -0.00 -1.26 -4.93 115.22 110.48 2kd0 n HIS 6 Ca 0.00 0.14 -0.14 0.00 -0.00 0.00 0.00 57.72 57.73 2kd0 n HIS 6 Cb 0.00 -2.58 -0.10 0.00 -0.00 0.00 0.00 29.99 27.31 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 11.92 1.20 -0.28 1.57 4.02 -1.26 -4.83 115.29 127.63 2kd0 s HIS 7 Ca 1.03 -0.80 -0.22 0.00 1.02 0.00 0.00 55.06 56.08 2kd0 s HIS 7 Cb -0.32 -0.63 0.12 0.00 -1.02 0.00 0.00 32.58 30.73 2kd0 s HIS 7 CO 0.28 0.03 0.97 -3.38 1.02 0.00 0.00 174.74 173.65 2kd0 s HIS 8 N -3.39 -0.57 -1.29 1.40 0.00 -1.26 -4.99 115.29 105.19 2kd0 s HIS 8 Ca 0.16 1.29 0.00 0.00 -3.00 0.00 0.00 55.06 53.52 2kd0 s HIS 8 Cb 0.03 0.37 0.00 0.00 -4.00 0.00 0.00 32.58 28.98 2kd0 s HIS 8 CO -0.00 -0.27 0.00 0.43 -1.00 0.00 0.00 174.74 173.89 2kd0 n SER 9 N 2.72 -4.91 -0.43 7.38 7.64 -1.26 -4.82 113.62 119.95 2kd0 n SER 9 Ca -0.14 0.30 0.04 0.00 1.01 0.00 0.00 58.87 60.08 2kd0 n SER 9 Cb 0.56 -3.47 0.10 0.00 -1.01 0.00 0.00 64.21 60.39 2kd0 n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kd0 n HIS 10 N -2.50 0.27 -1.45 1.43 -0.00 -1.26 -4.83 115.22 106.88 2kd0 n HIS 10 Ca -0.12 -0.42 -0.41 0.00 -0.00 0.00 0.00 57.72 56.77 2kd0 n HIS 10 Cb 0.47 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.99 30.39 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kd0 n SER 11 N 0.24 2.91 -4.70 0.41 7.64 -1.26 -4.93 113.62 113.93 2kd0 n SER 11 Ca 0.08 -2.72 -0.40 0.00 1.01 0.00 0.00 58.87 56.84 2kd0 n SER 11 Cb 0.35 -1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 62.17 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 5.79 5.01 0.13 0.44 -4.23 -1.26 -4.54 115.64 116.98 2kd0 s THR 12 Ca 0.58 1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 62.21 2kd0 s THR 12 Cb 0.11 -4.03 -0.07 0.00 1.34 0.00 0.00 72.50 69.86 2kd0 s THR 12 CO 0.09 0.18 0.92 0.27 -0.54 0.00 0.00 174.62 175.54 2kd0 s ILE 13 N 1.28 4.44 -0.04 2.99 -4.36 0.11 -4.72 121.20 120.90 2kd0 s ILE 13 Ca 0.35 1.99 -0.27 0.00 -0.26 0.00 0.00 60.65 62.46 2kd0 s ILE 13 Cb -0.17 -4.28 -0.03 0.00 1.25 0.00 0.00 42.46 39.23 2kd0 s ILE 13 CO 0.15 0.38 0.87 -0.54 0.24 0.00 0.00 174.94 176.03 2kd0 s LYS 14 N -0.33 4.50 -0.08 0.37 1.02 -1.26 -1.13 119.74 122.82 2kd0 s LYS 14 Ca 0.44 1.19 -0.05 0.00 0.02 0.00 0.00 55.97 57.57 2kd0 s LYS 14 Cb -0.23 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.65 2kd0 s LYS 14 CO 0.29 -0.03 0.20 -0.48 -0.92 0.00 0.00 175.35 174.41 2kd0 s LEU 15 N 1.02 0.79 -0.36 3.17 2.34 -0.13 -0.66 118.68 124.85 2kd0 s LEU 15 Ca 0.46 0.41 -0.16 0.00 0.06 0.00 0.00 54.13 54.90 2kd0 s LEU 15 Cb -0.19 0.59 -0.00 0.00 -0.56 0.00 0.00 46.19 46.03 2kd0 s LEU 15 CO 0.23 -0.13 0.38 -0.89 -1.06 0.00 0.00 176.35 174.88 2kd0 s THR 16 N 0.85 5.15 -0.15 5.48 2.01 0.39 -0.40 115.64 128.97 2kd0 s THR 16 Ca -0.06 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 2kd0 s THR 16 Cb -0.08 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2kd0 s THR 16 CO -0.05 -0.18 0.46 0.54 -0.69 0.00 0.00 174.62 174.71 2kd0 s VAL 17 N 2.04 5.18 -0.69 3.82 0.11 -0.33 -0.54 120.40 129.99 2kd0 s VAL 17 Ca 0.12 0.90 -0.18 0.00 -2.93 0.00 0.00 61.98 59.88 2kd0 s VAL 17 Cb -0.17 -3.80 0.12 0.00 -1.53 0.00 0.00 36.38 31.01 2kd0 s VAL 17 CO 0.12 0.29 0.79 -0.54 -3.33 0.00 0.00 175.10 172.43 2kd0 s LYS 18 N 0.88 3.22 -1.34 1.54 1.02 0.39 -0.88 119.74 124.58 2kd0 s LYS 18 Ca 0.24 -1.56 -0.17 0.00 0.02 0.00 0.00 55.97 54.51 2kd0 s LYS 18 Cb -0.15 -4.40 0.03 0.00 -0.52 0.00 0.00 37.83 32.80 2kd0 s LYS 18 CO 0.09 -1.55 1.98 1.19 -0.92 0.00 0.00 175.35 176.15 2kd0 n PHE 19 N 6.04 3.90 -1.26 3.18 3.72 -0.15 -1.79 117.46 131.10 2kd0 n PHE 19 Ca -0.00 -2.77 -0.11 0.00 -0.05 0.00 0.00 57.45 54.51 2kd0 n PHE 19 Cb 0.44 -2.55 -0.05 0.00 -0.94 0.00 0.00 39.48 36.39 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 4.78 1.07 0.00 1.37 0.00 -1.18 -1.25 105.19 109.98 2kd0 n GLY 20 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.09 2.84 3.55 -0.02 0.00 -1.26 -5.08 105.19 105.14 2kd0 n GLY 21 Ca -0.11 -0.33 -0.38 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 0.00 3.04 -0.66 1.61 -0.14 -0.38 -4.96 119.74 118.25 2kd0 s LYS 22 Ca 0.00 -0.28 -0.27 0.00 -1.36 0.00 0.00 55.97 54.05 2kd0 s LYS 22 Cb 0.00 -4.71 0.02 0.00 -1.68 0.00 0.00 37.83 31.46 2kd0 s LYS 22 CO 0.00 -2.55 1.36 -1.12 -0.76 0.00 0.00 175.35 172.28 2kd0 s SER 23 N 5.94 6.11 -0.41 2.83 0.01 -1.26 -0.97 113.70 125.95 2kd0 s SER 23 Ca 0.52 -0.09 -0.14 0.00 1.31 0.00 0.00 55.95 57.55 2kd0 s SER 23 Cb -0.07 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.64 2kd0 s SER 23 CO 0.07 -1.80 0.29 -0.63 0.41 0.00 0.00 173.24 171.57 2kd0 s ILE 24 N 6.02 5.05 -0.61 1.44 -1.09 -0.06 -4.93 121.20 127.02 2kd0 s ILE 24 Ca 0.44 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.78 2kd0 s ILE 24 Cb -0.09 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 2kd0 s ILE 24 CO 0.20 -0.34 1.45 -2.16 -1.23 0.00 0.00 174.94 172.85 2kd0 s PRO 25 N 1.63 3.17 0.52 2.79 0.04 -1.26 -1.19 135.00 140.70 2kd0 s PRO 25 Ca 0.04 0.30 0.07 0.00 0.04 0.00 0.00 61.00 61.45 2kd0 s PRO 25 Cb -0.20 -4.18 0.03 0.00 0.04 0.00 0.00 34.50 30.20 2kd0 s PRO 25 CO 0.08 -2.11 0.47 -0.51 0.04 0.00 0.00 177.00 174.97 2kd0 s LEU 26 N 6.42 2.93 -0.29 -3.56 1.43 0.47 -4.96 118.68 121.13 2kd0 s LEU 26 Ca 0.50 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2kd0 s LEU 26 Cb -0.10 -1.47 0.14 0.00 0.03 0.00 0.00 46.19 44.79 2kd0 s LEU 26 CO 0.22 -1.04 0.34 -0.44 0.23 0.00 0.00 176.35 175.66 2kd0 s SER 27 N -4.31 1.14 0.43 2.29 0.01 -1.26 -0.96 113.70 111.04 2kd0 s SER 27 Ca 0.42 -0.56 0.07 0.00 1.31 0.00 0.00 55.95 57.19 2kd0 s SER 27 Cb -0.03 0.75 -0.03 0.00 0.21 0.00 0.00 66.02 66.92 2kd0 s SER 27 CO 0.26 -0.37 0.25 0.68 0.41 0.00 0.00 173.24 174.47 2kd0 s VAL 28 N 2.44 2.29 -0.05 3.43 -7.23 -0.29 -4.75 120.40 116.23 2kd0 s VAL 28 Ca 0.10 -1.59 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 2kd0 s VAL 28 Cb -0.13 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 2kd0 s VAL 28 CO -0.31 0.00 0.82 -0.55 -0.31 0.00 0.00 175.10 174.75 2kd0 s SER 29 N -4.00 7.12 0.18 4.85 0.15 -1.26 0.06 113.70 120.80 2kd0 s SER 29 Ca 0.41 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.59 2kd0 s SER 29 Cb 0.01 -2.48 0.78 0.00 -1.71 0.00 0.00 66.02 62.63 2kd0 s SER 29 CO 0.23 -0.20 1.51 -0.81 1.20 0.00 0.00 173.24 175.17 2kd0 n PRO 30 N 4.00 0.10 0.18 5.44 -0.04 -1.26 -1.67 135.00 141.75 2kd0 n PRO 30 Ca 0.02 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 64.00 2kd0 n PRO 30 Cb 0.51 -1.76 0.26 0.00 -0.04 0.00 0.00 33.50 32.48 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 -4.11 3.54 3.32 -1.95 -3.34 116.42 113.88 2kd0 h ASP 31 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2kd0 h ASP 31 Cb 0.16 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.75 2kd0 h ASP 31 CO 0.00 0.41 0.38 0.00 -1.72 0.00 0.00 179.24 178.31 2kd0 s THR 33 N -2.11 3.80 0.30 0.00 -4.23 -1.26 -3.01 115.64 109.13 2kd0 s THR 33 Ca 0.66 -0.28 0.38 0.00 -1.18 0.00 0.00 61.69 61.26 2kd0 s THR 33 Cb -0.16 -3.45 0.41 0.00 1.34 0.00 0.00 72.50 70.64 2kd0 s THR 33 CO 0.24 -0.38 2.12 -0.37 -0.54 0.00 0.00 174.62 175.70 2kd0 h VAL 34 N 0.14 0.00 -0.09 2.29 -1.51 -1.52 -0.20 116.25 115.35 2kd0 h VAL 34 Ca -0.46 -0.33 -0.02 0.00 -1.23 0.00 0.00 66.70 64.66 2kd0 h VAL 34 Cb 1.26 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 2kd0 h VAL 34 CO 0.59 0.00 -0.01 0.50 -1.23 0.00 0.00 177.57 177.42 2kd0 h LYS 35 N 0.00 0.17 -0.07 5.19 1.63 -1.80 -3.08 116.57 118.62 2kd0 h LYS 35 Ca -0.00 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 2kd0 h LYS 35 Cb 0.33 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2kd0 h LYS 35 CO 0.00 0.45 -0.24 0.22 -3.45 0.00 0.00 179.45 176.43 2kd0 h ASP 36 N -0.12 0.11 -0.63 4.20 3.58 -1.63 -2.43 116.42 119.50 2kd0 h ASP 36 Ca 0.03 -0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.53 2kd0 h ASP 36 Cb 0.37 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.33 2kd0 h ASP 36 CO 0.01 0.36 0.29 -0.07 -2.88 0.00 0.00 179.24 176.95 2kd0 h LEU 37 N 0.11 0.37 -1.34 2.28 3.38 -1.04 -0.76 115.31 118.31 2kd0 h LEU 37 Ca 0.02 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2kd0 h LEU 37 Cb 0.48 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2kd0 h LEU 37 CO 0.03 0.23 0.46 0.11 0.09 0.00 0.00 178.44 179.37 2kd0 h LYS 38 N 0.53 0.86 0.00 1.13 1.57 -1.35 0.27 116.57 119.59 2kd0 h LYS 38 Ca 0.30 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2kd0 h LYS 38 Cb 0.30 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kd0 h LYS 38 CO -0.25 0.57 -0.13 1.03 -0.57 0.00 0.00 179.45 180.10 2kd0 h SER 39 N 0.89 0.00 0.09 0.86 0.87 -1.05 -1.58 113.55 113.62 2kd0 h SER 39 Ca 0.27 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.55 2kd0 h SER 39 Cb -0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2kd0 h SER 39 CO -0.07 0.13 -1.45 1.56 -0.53 0.00 0.00 176.83 176.48 2kd0 h GLN 40 N 0.00 0.18 -0.56 2.24 4.20 -0.17 -3.40 115.11 117.60 2kd0 h GLN 40 Ca -0.00 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 2kd0 h GLN 40 Cb 0.30 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2kd0 h GLN 40 CO 0.02 1.15 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.23 2kd0 h LEU 41 N -0.41 0.98 0.23 1.46 3.38 -0.44 -3.32 115.31 117.18 2kd0 h LEU 41 Ca -0.33 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2kd0 h LEU 41 Cb 1.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2kd0 h LEU 41 CO 0.00 1.05 -0.24 -0.61 0.09 0.00 0.00 178.44 178.73 2kd0 h GLN 42 N 0.91 -0.48 0.00 1.13 4.15 -1.49 0.07 115.11 119.39 2kd0 h GLN 42 Ca 0.16 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2kd0 h GLN 42 Cb 0.57 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2kd0 h GLN 42 CO 0.03 -0.32 0.00 -0.35 -1.93 0.00 0.00 178.83 176.26 2kd0 n PRO 43 N -5.36 0.13 -0.12 -2.39 -0.04 -1.25 0.18 135.00 126.16 2kd0 n PRO 43 Ca -0.08 0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2kd0 n PRO 43 Cb 0.27 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.33 1.52 0.73 0.52 5.41 -0.68 -4.71 119.36 120.82 2kd0 n ILE 44 Ca 0.05 -0.17 0.08 0.00 1.00 0.00 0.00 62.75 63.71 2kd0 n ILE 44 Cb 0.10 -2.05 -0.00 0.00 -0.71 0.00 0.00 39.64 36.98 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 -4.35 0.00 -1.54 1.39 -2.24 -0.07 -4.99 114.28 102.48 2kd0 n THR 45 Ca -0.39 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 2kd0 n THR 45 Cb 0.73 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.09 -4.80 -4.81 3.42 3.02 0.13 -5.00 115.26 107.14 2kd0 n ASN 46 Ca 0.07 0.33 -0.39 0.00 -0.03 0.00 0.00 54.58 54.57 2kd0 n ASN 46 Cb 0.35 -3.67 -0.06 0.00 -0.61 0.00 0.00 39.78 35.79 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 -2.59 4.74 0.12 2.41 0.11 -1.25 -4.74 120.40 119.19 2kd0 s VAL 47 Ca 0.00 1.24 -0.31 0.00 -2.93 0.00 0.00 61.98 59.98 2kd0 s VAL 47 Cb 0.00 -3.91 -0.08 0.00 -1.53 0.00 0.00 36.38 30.86 2kd0 s VAL 47 CO 0.00 0.54 1.40 -0.76 -3.33 0.00 0.00 175.10 172.96 2kd0 s LEU 48 N -1.04 4.37 0.31 2.54 1.43 -1.26 -4.40 118.68 120.63 2kd0 s LEU 48 Ca 0.29 2.34 0.08 0.00 -1.03 0.00 0.00 54.13 55.81 2kd0 s LEU 48 Cb -0.20 -3.59 0.81 0.00 0.03 0.00 0.00 46.19 43.24 2kd0 s LEU 48 CO 0.19 -0.66 1.76 1.55 0.23 0.00 0.00 176.35 179.42 2kd0 h PRO 49 N 6.82 0.67 -0.82 1.29 0.13 -1.95 0.37 132.00 138.51 2kd0 h PRO 49 Ca -0.42 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2kd0 h PRO 49 Cb 1.21 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 2kd0 h PRO 49 CO 0.87 0.44 0.45 -0.09 -0.23 0.00 0.00 178.00 179.44 2kd0 h ARG 50 N 0.69 1.14 0.00 0.86 2.43 -2.00 -2.65 114.38 114.84 2kd0 h ARG 50 Ca 0.61 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2kd0 h ARG 50 Cb 1.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2kd0 h ARG 50 CO -0.42 0.84 0.00 0.78 -1.51 0.00 0.00 179.97 179.66 2kd0 h GLY 51 N 1.13 0.00 -7.36 2.80 0.00 -1.34 -3.41 103.07 94.90 2kd0 h GLY 51 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.24 2kd0 h GLY 51 CO -0.05 0.00 1.08 1.20 0.00 0.00 0.00 176.54 178.77 2kd0 s GLN 52 N -3.40 2.76 -0.94 4.80 -0.21 -0.73 -4.27 119.66 117.67 2kd0 s GLN 52 Ca 0.05 -0.88 -0.21 0.00 0.02 0.00 0.00 55.36 54.34 2kd0 s GLN 52 Cb 0.08 -5.21 0.09 0.00 1.00 0.00 0.00 33.01 28.98 2kd0 s GLN 52 CO 0.56 -3.40 1.24 0.15 -2.12 0.00 0.00 175.29 171.71 2kd0 s LYS 53 N 6.34 3.55 -0.30 2.91 1.02 -1.21 -4.98 119.74 127.07 2kd0 s LYS 53 Ca 0.66 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 2kd0 s LYS 53 Cb -0.03 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 32.27 2kd0 s LYS 53 CO 0.05 -1.94 1.31 -0.51 -0.92 0.00 0.00 175.35 173.34 2kd0 s LEU 54 N 3.68 3.87 -0.16 3.17 1.43 -1.26 -1.67 118.68 127.74 2kd0 s LEU 54 Ca 0.37 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2kd0 s LEU 54 Cb -0.04 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.66 2kd0 s LEU 54 CO -0.08 -1.10 -0.19 -0.63 0.23 0.00 0.00 176.35 174.59 2kd0 s ILE 55 N 4.43 1.95 -0.01 -0.59 1.01 0.47 -1.07 121.20 127.38 2kd0 s ILE 55 Ca 0.57 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2kd0 s ILE 55 Cb -0.17 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2kd0 s ILE 55 CO 0.24 0.52 -0.07 0.12 0.00 0.00 0.00 174.94 175.75 2kd0 s PHE 56 N 1.22 0.71 -0.03 3.97 5.36 -0.11 -1.72 117.98 127.38 2kd0 s PHE 56 Ca 0.02 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 2kd0 s PHE 56 Cb -0.14 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.05 2kd0 s PHE 56 CO -0.10 -0.05 0.00 1.63 -1.46 0.00 0.00 175.22 175.24 2kd0 n LYS 57 N 3.14 -1.83 0.00 10.12 4.76 -1.26 -1.36 118.16 131.72 2kd0 n LYS 57 Ca -0.16 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 2kd0 n LYS 57 Cb 0.56 -4.84 0.00 0.00 -1.84 0.00 0.00 35.03 28.91 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 0.65 3.24 3.82 0.72 0.00 -1.26 -5.08 105.19 107.28 2kd0 n GLY 58 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.79 3.30 0.01 1.61 2.20 -0.47 -5.05 119.74 120.55 2kd0 s LYS 59 Ca 0.00 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 2kd0 s LYS 59 Cb 0.00 -3.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.19 2kd0 s LYS 59 CO 0.00 0.75 1.40 0.08 -0.36 0.00 0.00 175.35 177.23 2kd0 s VAL 60 N -1.00 3.68 0.10 4.02 1.01 -1.26 -0.94 120.40 126.02 2kd0 s VAL 60 Ca 0.15 1.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 2kd0 s VAL 60 Cb -0.12 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2kd0 s VAL 60 CO 0.04 0.00 1.53 -0.76 0.00 0.00 0.00 175.10 175.92 2kd0 s LEU 61 N 2.33 4.36 0.17 3.92 2.01 -0.23 -4.96 118.68 126.29 2kd0 s LEU 61 Ca 0.64 2.44 -0.31 0.00 0.01 0.00 0.00 54.13 56.91 2kd0 s LEU 61 Cb -0.32 -3.58 -0.09 0.00 0.01 0.00 0.00 46.19 42.22 2kd0 s LEU 61 CO 0.27 -0.79 1.42 -0.69 1.01 0.00 0.00 176.35 177.56 2kd0 s VAL 62 N 1.80 3.01 -1.67 -1.59 1.01 -1.26 -4.89 120.40 116.82 2kd0 s VAL 62 Ca 0.69 0.77 0.10 0.00 0.00 0.00 0.00 61.98 63.55 2kd0 s VAL 62 Cb -0.39 -3.49 0.23 0.00 0.00 0.00 0.00 36.38 32.72 2kd0 s VAL 62 CO 0.31 0.09 1.16 -0.62 0.00 0.00 0.00 175.10 176.03 2kd0 n GLU 63 N 3.30 0.22 0.00 2.72 1.02 -1.26 -0.64 120.64 126.01 2kd0 n GLU 63 Ca 0.10 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2kd0 n GLU 63 Cb 0.41 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.60 2kd0 n GLU 63 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2kd0 n THR 64 N -1.17 0.00 -3.40 2.62 -2.24 -1.26 -3.97 114.28 104.86 2kd0 n THR 64 Ca 0.06 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2kd0 n THR 64 Cb 0.06 0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.78 5.95 0.51 3.42 0.15 0.19 -5.00 113.70 116.14 2kd0 s SER 65 Ca 0.16 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.72 2kd0 s SER 65 Cb 0.18 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.24 2kd0 s SER 65 CO 0.64 -0.47 0.21 0.42 1.20 0.00 0.00 173.24 175.23 2kd0 s THR 66 N -2.23 1.53 0.14 6.45 -4.23 -1.26 -1.51 115.64 114.53 2kd0 s THR 66 Ca 0.46 -1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 2kd0 s THR 66 Cb -0.10 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 2kd0 s THR 66 CO 0.32 0.00 1.78 -0.07 -0.54 0.00 0.00 174.62 176.11 2kd0 h LEU 67 N 1.08 0.28 -0.72 4.79 -0.00 -1.70 -0.43 115.31 118.62 2kd0 h LEU 67 Ca -0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.39 2kd0 h LEU 67 Cb 1.30 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 2kd0 h LEU 67 CO 0.66 0.21 0.03 0.50 -0.00 0.00 0.00 178.44 179.84 2kd0 h LYS 68 N 0.36 1.01 0.00 1.13 3.64 -1.69 0.21 116.57 121.24 2kd0 h LYS 68 Ca 0.12 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 2kd0 h LYS 68 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2kd0 h LYS 68 CO -0.06 0.97 -0.43 1.96 -2.27 0.00 0.00 179.45 179.63 2kd0 h GLN 69 N 0.93 0.00 -0.26 1.90 4.20 -1.85 -2.58 115.11 117.46 2kd0 h GLN 69 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kd0 h GLN 69 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2kd0 h GLN 69 CO 0.02 0.43 0.00 -1.13 -0.67 0.00 0.00 178.83 177.48 2kd0 n SER 70 N -3.91 1.80 -0.54 1.46 3.41 -0.19 -4.90 113.62 110.76 2kd0 n SER 70 Ca -0.01 -1.85 -0.07 0.00 -0.26 0.00 0.00 58.87 56.68 2kd0 n SER 70 Cb 0.47 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2kd0 n SER 70 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kd0 n ASP 71 N 0.44 -4.45 -4.51 4.04 8.00 -0.92 -4.97 116.55 114.18 2kd0 n ASP 71 Ca 0.14 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.39 2kd0 n ASP 71 Cb 0.32 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 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 -2.06 4.11 0.00 2.53 1.01 0.70 -5.00 120.40 121.70 2kd0 s VAL 72 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 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 -1.51 0.00 0.61 0.00 0.00 0.00 175.10 174.20 2kd0 n GLY 73 N 5.28 4.36 3.56 4.51 0.00 -1.26 -3.94 105.19 117.70 2kd0 n GLY 73 Ca 0.01 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.29 4.61 0.00 1.61 1.04 -1.26 -3.70 113.70 115.71 2kd0 s SER 74 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2kd0 s SER 74 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2kd0 s SER 74 CO 0.00 -3.26 0.00 0.61 0.98 0.00 0.00 173.24 171.57 2kd0 n GLY 75 N 6.78 0.69 3.21 7.32 0.00 0.17 -4.81 105.19 118.54 2kd0 n GLY 75 Ca 0.43 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.37 0.20 -0.09 4.61 0.00 -1.02 -5.03 121.76 120.07 2kd0 s ALA 76 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2kd0 s ALA 76 Cb 0.00 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.76 2kd0 s ALA 76 CO 0.00 -0.51 -0.12 0.15 0.00 0.00 0.00 175.76 175.28 2kd0 s LYS 77 N -3.94 1.76 -0.16 0.00 1.02 -1.26 -0.46 119.74 116.70 2kd0 s LYS 77 Ca 0.13 -0.40 -0.06 0.00 0.02 0.00 0.00 55.97 55.65 2kd0 s LYS 77 Cb 0.06 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 2kd0 s LYS 77 CO -0.05 -0.07 0.04 -0.51 -0.92 0.00 0.00 175.35 173.84 2kd0 s LEU 78 N 1.00 3.75 -0.42 3.17 1.43 0.30 -4.94 118.68 122.97 2kd0 s LEU 78 Ca -0.08 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.86 2kd0 s LEU 78 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2kd0 s LEU 78 CO -0.01 0.22 0.90 -0.32 0.23 0.00 0.00 176.35 177.38 2kd0 s MET 79 N 0.07 3.63 -0.36 1.70 -2.45 -0.70 -0.46 119.30 120.73 2kd0 s MET 79 Ca 0.04 0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 54.68 2kd0 s MET 79 Cb -0.12 -3.88 0.05 0.00 1.25 0.00 0.00 34.83 32.12 2kd0 s MET 79 CO 0.01 -1.10 0.16 -1.17 1.05 0.00 0.00 175.02 173.97 2kd0 s LEU 80 N 3.58 4.60 -1.04 4.11 2.96 -0.74 -0.40 118.68 131.75 2kd0 s LEU 80 Ca 0.36 -1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 52.86 2kd0 s LEU 80 Cb -0.11 -1.92 0.12 0.00 0.50 0.00 0.00 46.19 44.78 2kd0 s LEU 80 CO 0.23 -0.39 1.30 -0.32 -1.32 0.00 0.00 176.35 175.85 2kd0 s MET 81 N 1.42 3.75 0.02 1.98 -2.45 -0.67 -3.12 119.30 120.23 2kd0 s MET 81 Ca 0.00 -1.88 -0.10 0.00 -1.25 0.00 0.00 55.69 52.47 2kd0 s MET 81 Cb -0.20 -5.08 0.01 0.00 1.25 0.00 0.00 34.83 30.81 2kd0 s MET 81 CO 0.03 -1.88 0.20 0.00 1.05 0.00 0.00 175.02 174.42 2kd0 s ALA 82 N 2.91 -0.43 0.43 4.11 0.00 -1.26 -3.35 121.76 124.17 2kd0 s ALA 82 Ca 0.39 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.30 2kd0 s ALA 82 Cb -0.03 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 2kd0 s ALA 82 CO -0.06 -0.29 0.02 0.45 0.00 0.00 0.00 175.76 175.89 2kd0 s SER 83 N -1.68 3.96 -0.36 0.00 0.15 -1.26 -4.55 113.70 109.95 2kd0 s SER 83 Ca -0.10 -1.40 -0.11 0.00 0.70 0.00 0.00 55.95 55.04 2kd0 s SER 83 Cb -0.04 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2kd0 s SER 83 CO -0.00 -0.53 0.20 -1.58 1.20 0.00 0.00 173.24 172.53 2kd0 s GLN 84 N -3.75 3.01 0.00 5.44 -0.44 -1.26 -4.78 119.66 117.88 2kd0 s GLN 84 Ca 0.30 -0.95 0.00 0.00 -2.50 0.00 0.00 55.36 52.21 2kd0 s GLN 84 Cb 0.08 -3.71 0.00 0.00 -1.64 0.00 0.00 33.01 27.75 2kd0 s GLN 84 CO 0.16 -0.61 0.00 0.41 0.50 0.00 0.00 175.29 175.75