#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 2.28 -0.21 3.17 0.00 -1.26 -5.15 107.32 106.15 2kd0 s GLY 2 Ca 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 2kd0 s GLY 2 CO 0.00 -1.53 0.15 -2.38 0.00 0.00 0.00 173.10 169.34 2kd0 s HIS 3 N -3.49 0.06 0.21 1.90 0.00 -1.26 -5.13 115.29 107.59 2kd0 s HIS 3 Ca 0.38 -0.31 -0.32 0.00 -3.00 0.00 0.00 55.06 51.81 2kd0 s HIS 3 Cb 0.03 -0.65 -0.12 0.00 -4.00 0.00 0.00 32.58 27.84 2kd0 s HIS 3 CO 0.24 -0.64 1.72 1.58 -1.00 0.00 0.00 174.74 176.64 2kd0 n HIS 4 N 5.28 2.77 -2.18 0.38 -0.00 -1.26 -4.90 115.22 115.31 2kd0 n HIS 4 Ca -0.06 0.05 -0.42 0.00 -0.00 0.00 0.00 57.72 57.28 2kd0 n HIS 4 Cb 0.47 -2.67 -0.02 0.00 -0.00 0.00 0.00 29.99 27.76 2kd0 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd0 s HIS 5 N 1.12 2.08 -0.61 1.57 5.65 -1.26 -4.96 115.29 118.88 2kd0 s HIS 5 Ca 0.75 0.64 -0.25 0.00 0.25 0.00 0.00 55.06 56.44 2kd0 s HIS 5 Cb -0.50 -4.23 0.04 0.00 -1.18 0.00 0.00 32.58 26.71 2kd0 s HIS 5 CO 0.33 -2.41 1.06 -3.38 -0.65 0.00 0.00 174.74 169.68 2kd0 s HIS 6 N 6.38 2.64 -0.54 3.88 0.00 -1.26 -5.00 115.29 121.40 2kd0 s HIS 6 Ca 0.69 -0.02 -0.29 0.00 -3.00 0.00 0.00 55.06 52.44 2kd0 s HIS 6 Cb -0.17 -4.30 0.03 0.00 -4.00 0.00 0.00 32.58 24.14 2kd0 s HIS 6 CO 0.31 -1.58 1.19 -3.38 -1.00 0.00 0.00 174.74 170.29 2kd0 s HIS 7 N 4.49 2.66 0.02 0.38 -0.00 -1.26 -5.00 115.29 116.57 2kd0 s HIS 7 Ca 0.32 0.54 0.02 0.00 -0.00 0.00 0.00 55.06 55.94 2kd0 s HIS 7 Cb -0.11 -4.48 -0.02 0.00 -0.00 0.00 0.00 32.58 27.97 2kd0 s HIS 7 CO 0.18 -1.51 -0.07 -1.01 -0.00 0.00 0.00 174.74 172.33 2kd0 s HIS 8 N 4.85 0.58 0.23 0.38 0.09 -1.26 -5.17 115.29 115.00 2kd0 s HIS 8 Ca 0.46 -0.32 0.02 0.00 -0.00 0.00 0.00 55.06 55.22 2kd0 s HIS 8 Cb -0.08 -0.36 -0.01 0.00 -0.00 0.00 0.00 32.58 32.14 2kd0 s HIS 8 CO 0.28 -0.05 0.26 0.45 -0.00 0.00 0.00 174.74 175.68 2kd0 n SER 9 N 2.13 -0.70 -1.41 1.40 2.88 -1.26 -5.19 113.62 111.48 2kd0 n SER 9 Ca -0.18 -2.36 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2kd0 n SER 9 Cb 0.56 1.41 0.00 0.00 -0.75 0.00 0.00 64.21 65.43 2kd0 n SER 9 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kd0 n HIS 10 N -0.40 -1.41 -0.08 0.66 8.25 -1.26 -4.97 115.22 116.01 2kd0 n HIS 10 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2kd0 n HIS 10 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kd0 n SER 11 N -1.64 3.49 -4.28 0.41 2.88 -1.26 -4.79 113.62 108.43 2kd0 n SER 11 Ca 0.00 -1.89 -0.33 0.00 -1.33 0.00 0.00 58.87 55.32 2kd0 n SER 11 Cb 0.00 -0.71 -0.15 0.00 -0.75 0.00 0.00 64.21 62.60 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 0.45 2.68 0.14 2.46 -4.23 -1.26 -3.99 115.64 111.89 2kd0 s THR 12 Ca 0.00 -0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 2kd0 s THR 12 Cb 0.00 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 2kd0 s THR 12 CO 0.00 0.52 0.39 0.27 -0.54 0.00 0.00 174.62 175.26 2kd0 s ILE 13 N 0.71 5.15 -0.15 2.99 -4.36 0.11 -4.74 121.20 120.90 2kd0 s ILE 13 Ca -0.07 0.08 -0.29 0.00 -0.26 0.00 0.00 60.65 60.11 2kd0 s ILE 13 Cb -0.16 -3.62 -0.03 0.00 1.25 0.00 0.00 42.46 39.90 2kd0 s ILE 13 CO 0.02 0.04 1.48 -0.54 0.24 0.00 0.00 174.94 176.18 2kd0 s LYS 14 N -2.63 4.10 -0.10 0.37 1.02 -1.26 -1.60 119.74 119.65 2kd0 s LYS 14 Ca 0.41 1.82 -0.00 0.00 0.02 0.00 0.00 55.97 58.22 2kd0 s LYS 14 Cb -0.12 -3.91 0.02 0.00 -0.52 0.00 0.00 37.83 33.30 2kd0 s LYS 14 CO 0.24 -0.91 -0.07 -1.17 -0.92 0.00 0.00 175.35 172.53 2kd0 s LEU 15 N 4.10 1.16 -0.47 3.17 2.96 -0.03 -0.17 118.68 129.41 2kd0 s LEU 15 Ca 0.65 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 54.17 2kd0 s LEU 15 Cb -0.26 -0.75 0.08 0.00 0.50 0.00 0.00 46.19 45.76 2kd0 s LEU 15 CO 0.23 -0.11 0.37 -0.89 -1.32 0.00 0.00 176.35 174.64 2kd0 s THR 16 N 1.56 4.93 -0.17 3.68 2.01 -0.56 0.41 115.64 127.49 2kd0 s THR 16 Ca 0.01 -1.22 -0.19 0.00 0.31 0.00 0.00 61.69 60.60 2kd0 s THR 16 Cb -0.13 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2kd0 s THR 16 CO -0.06 -0.60 0.53 -0.69 -0.69 0.00 0.00 174.62 173.11 2kd0 s VAL 17 N 1.57 5.12 -0.49 3.82 1.01 0.31 -0.35 120.40 131.39 2kd0 s VAL 17 Ca 0.04 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 2kd0 s VAL 17 Cb -0.25 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.34 2kd0 s VAL 17 CO 0.05 0.21 0.56 -0.54 0.00 0.00 0.00 175.10 175.38 2kd0 s LYS 18 N 1.36 3.09 -1.21 2.72 1.02 0.33 -0.74 119.74 126.30 2kd0 s LYS 18 Ca 0.25 -1.00 -0.20 0.00 0.02 0.00 0.00 55.97 55.05 2kd0 s LYS 18 Cb -0.15 -4.10 0.05 0.00 -0.52 0.00 0.00 37.83 33.10 2kd0 s LYS 18 CO 0.10 -1.16 1.69 -0.06 -0.92 0.00 0.00 175.35 175.00 2kd0 s PHE 19 N 2.37 2.63 0.00 3.18 0.08 -0.01 -1.69 117.98 124.53 2kd0 s PHE 19 Ca 0.12 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 55.95 2kd0 s PHE 19 Cb -0.20 -4.67 0.00 0.00 -0.57 0.00 0.00 43.02 37.58 2kd0 s PHE 19 CO 0.11 -1.79 0.00 0.41 -0.10 0.00 0.00 175.22 173.84 2kd0 n GLY 20 N 5.84 0.88 0.80 4.36 0.00 -1.22 -1.20 105.19 114.65 2kd0 n GLY 20 Ca 0.45 0.43 0.12 0.00 0.00 0.00 0.00 46.02 47.02 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 0.67 3.54 -0.02 0.00 -1.26 -4.88 105.19 103.24 2kd0 n GLY 21 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.12 3.40 -0.70 1.61 -0.14 -0.34 -4.99 119.74 116.46 2kd0 s LYS 22 Ca 0.27 -0.07 -0.27 0.00 -1.36 0.00 0.00 55.97 54.54 2kd0 s LYS 22 Cb 0.20 -4.04 0.04 0.00 -1.68 0.00 0.00 37.83 32.34 2kd0 s LYS 22 CO 0.37 -1.58 1.22 -1.54 -0.76 0.00 0.00 175.35 173.05 2kd0 s SER 23 N 2.92 6.21 -0.63 2.83 1.04 -1.26 -0.83 113.70 123.97 2kd0 s SER 23 Ca 0.35 -0.44 -0.15 0.00 0.48 0.00 0.00 55.95 56.20 2kd0 s SER 23 Cb -0.11 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.64 2kd0 s SER 23 CO 0.21 -1.72 0.58 -0.63 0.98 0.00 0.00 173.24 172.66 2kd0 s ILE 24 N 5.36 5.27 -0.90 -1.02 -1.09 0.08 -4.94 121.20 123.96 2kd0 s ILE 24 Ca 0.34 -1.85 -0.21 0.00 -2.23 0.00 0.00 60.65 56.71 2kd0 s ILE 24 Cb -0.09 -4.34 0.09 0.00 -1.58 0.00 0.00 42.46 36.54 2kd0 s ILE 24 CO 0.16 -0.92 1.21 -2.16 -1.23 0.00 0.00 174.94 172.00 2kd0 s PRO 25 N 1.10 3.49 0.38 2.79 0.05 -1.26 -0.53 135.00 141.03 2kd0 s PRO 25 Ca 0.08 -1.32 -0.01 0.00 0.05 0.00 0.00 61.00 59.81 2kd0 s PRO 25 Cb -0.23 -4.89 0.08 0.00 0.05 0.00 0.00 34.50 29.51 2kd0 s PRO 25 CO -0.01 -1.94 0.53 1.28 0.05 0.00 0.00 177.00 176.91 2kd0 n LEU 26 N 7.62 0.00 -3.52 -3.56 4.77 0.17 -4.85 117.00 117.63 2kd0 n LEU 26 Ca 0.21 -1.06 -0.26 0.00 -0.03 0.00 0.00 56.01 54.87 2kd0 n LEU 26 Cb 0.49 -0.35 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 2kd0 n LEU 26 CO 0.59 -0.77 -0.29 -0.44 -1.33 0.00 0.00 177.39 175.15 2kd0 s SER 27 N -3.12 2.91 0.19 -1.43 0.01 -1.26 -0.85 113.70 110.15 2kd0 s SER 27 Ca 0.34 -1.05 0.05 0.00 1.31 0.00 0.00 55.95 56.61 2kd0 s SER 27 Cb -0.02 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 2kd0 s SER 27 CO 0.23 -0.41 -0.07 0.68 0.41 0.00 0.00 173.24 174.07 2kd0 s VAL 28 N 2.17 1.24 0.18 3.43 -7.23 -0.63 -4.78 120.40 114.78 2kd0 s VAL 28 Ca 0.08 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2kd0 s VAL 28 Cb -0.16 -2.07 -0.08 0.00 0.56 0.00 0.00 36.38 34.64 2kd0 s VAL 28 CO -0.32 -0.56 1.05 -0.94 -0.31 0.00 0.00 175.10 174.02 2kd0 s SER 29 N -3.25 7.37 0.13 4.85 1.04 -1.26 0.04 113.70 122.62 2kd0 s SER 29 Ca 0.22 2.02 0.15 0.00 0.48 0.00 0.00 55.95 58.82 2kd0 s SER 29 Cb 0.03 -2.60 0.67 0.00 0.10 0.00 0.00 66.02 64.22 2kd0 s SER 29 CO 0.05 -0.13 1.45 -0.81 0.98 0.00 0.00 173.24 174.78 2kd0 n PRO 30 N 2.25 0.08 0.02 4.02 -0.04 -1.26 -1.85 135.00 138.22 2kd0 n PRO 30 Ca 0.02 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2kd0 n PRO 30 Cb 0.47 -1.68 0.48 0.00 -0.04 0.00 0.00 33.50 32.72 2kd0 n PRO 30 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kd0 n ASP 31 N -1.83 0.30 -4.78 3.54 8.00 -1.26 -0.38 116.55 120.14 2kd0 n ASP 31 Ca 0.01 0.35 -0.36 0.00 0.71 0.00 0.00 54.79 55.50 2kd0 n ASP 31 Cb 0.12 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 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 4.68 0.35 0.00 -4.23 -1.26 -2.50 115.64 110.99 2kd0 s THR 33 Ca 0.66 0.86 0.39 0.00 -1.18 0.00 0.00 61.69 62.42 2kd0 s THR 33 Cb -0.25 -3.75 0.41 0.00 1.34 0.00 0.00 72.50 70.26 2kd0 s THR 33 CO 0.29 -0.68 2.16 -0.37 -0.54 0.00 0.00 174.62 175.48 2kd0 h VAL 34 N 0.82 0.00 -0.22 2.29 -1.51 -1.59 -2.26 116.25 113.78 2kd0 h VAL 34 Ca -0.47 -0.26 -0.05 0.00 -1.23 0.00 0.00 66.70 64.69 2kd0 h VAL 34 Cb 1.19 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 2kd0 h VAL 34 CO 0.63 0.00 -0.05 0.50 -1.23 0.00 0.00 177.57 177.42 2kd0 h LYS 35 N 0.00 0.42 -0.71 5.19 3.64 -1.85 -2.70 116.57 120.57 2kd0 h LYS 35 Ca 0.00 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2kd0 h LYS 35 Cb 0.27 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2kd0 h LYS 35 CO 0.00 0.66 0.44 0.22 -2.27 0.00 0.00 179.45 178.49 2kd0 h ASP 36 N 0.16 0.84 -0.32 4.20 3.58 -1.73 -0.96 116.42 122.19 2kd0 h ASP 36 Ca 0.06 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2kd0 h ASP 36 Cb 0.50 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2kd0 h ASP 36 CO 0.02 0.64 0.13 -0.07 -2.88 0.00 0.00 179.24 177.08 2kd0 h LEU 37 N 0.98 0.17 -0.79 2.28 3.38 -1.48 0.15 115.31 120.00 2kd0 h LEU 37 Ca 0.26 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.34 2kd0 h LEU 37 Cb -0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2kd0 h LEU 37 CO -0.05 0.14 0.44 0.11 0.09 0.00 0.00 178.44 179.17 2kd0 h LYS 38 N 0.28 0.73 -0.82 1.13 1.57 -0.96 0.91 116.57 119.42 2kd0 h LYS 38 Ca 0.14 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2kd0 h LYS 38 Cb 0.08 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2kd0 h LYS 38 CO -0.12 0.49 0.44 1.03 -0.57 0.00 0.00 179.45 180.72 2kd0 h SER 39 N 0.76 1.03 -0.15 0.86 0.87 -0.58 -0.98 113.55 115.36 2kd0 h SER 39 Ca 0.37 -0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 2kd0 h SER 39 Cb 0.33 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kd0 h SER 39 CO -0.24 0.83 -0.55 1.56 -0.53 0.00 0.00 176.83 177.90 2kd0 h GLN 40 N 1.15 0.63 0.00 2.24 4.20 0.09 -3.22 115.11 120.21 2kd0 h GLN 40 Ca 0.29 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2kd0 h GLN 40 Cb 0.04 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2kd0 h GLN 40 CO -0.05 1.10 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.10 2kd0 h LEU 41 N 0.29 0.00 0.09 1.46 3.38 -0.78 -3.35 115.31 116.40 2kd0 h LEU 41 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2kd0 h LEU 41 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2kd0 h LEU 41 CO 0.12 0.05 -0.32 -0.61 0.09 0.00 0.00 178.44 177.76 2kd0 h GLN 42 N 0.00 -0.51 0.00 1.13 4.15 -1.18 -1.96 115.11 116.74 2kd0 h GLN 42 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2kd0 h GLN 42 Cb 0.75 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2kd0 h GLN 42 CO 0.01 -0.34 0.00 -0.35 -1.93 0.00 0.00 178.83 176.22 2kd0 n PRO 43 N -5.42 0.17 -0.02 -2.39 -0.04 -1.26 -0.33 135.00 125.71 2kd0 n PRO 43 Ca -0.06 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.75 2kd0 n PRO 43 Cb 0.33 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.00 -0.02 0.52 2.04 -1.54 -3.39 117.51 115.12 2kd0 h ILE 44 Ca 0.00 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2kd0 h ILE 44 Cb 0.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2kd0 h ILE 44 CO 0.00 0.00 -0.06 0.41 0.00 0.00 0.00 178.15 178.50 2kd0 n THR 45 N -4.26 0.00 -3.46 -0.27 -1.04 -0.88 -4.96 114.28 99.41 2kd0 n THR 45 Ca -0.00 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.05 61.38 2kd0 n THR 45 Cb 0.02 1.24 0.07 0.00 -1.82 0.00 0.00 70.33 69.84 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 0.91 -5.60 -4.33 8.00 3.02 0.55 -4.85 115.26 112.96 2kd0 n ASN 46 Ca 0.14 -0.49 -0.34 0.00 -0.03 0.00 0.00 54.58 53.87 2kd0 n ASN 46 Cb 0.53 -4.55 -0.14 0.00 -0.61 0.00 0.00 39.78 35.00 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 -3.29 3.15 0.50 2.41 0.11 -1.04 -5.02 120.40 117.23 2kd0 s VAL 47 Ca 0.48 -0.60 -0.19 0.00 -2.93 0.00 0.00 61.98 58.74 2kd0 s VAL 47 Cb -0.21 -2.38 -0.08 0.00 -1.53 0.00 0.00 36.38 32.18 2kd0 s VAL 47 CO 0.65 0.48 1.04 -0.76 -3.33 0.00 0.00 175.10 173.18 2kd0 s LEU 48 N 0.89 3.79 0.42 2.54 1.43 -1.26 -3.94 118.68 122.56 2kd0 s LEU 48 Ca -0.02 1.90 0.17 0.00 -1.03 0.00 0.00 54.13 55.15 2kd0 s LEU 48 Cb -0.15 -4.55 1.07 0.00 0.03 0.00 0.00 46.19 42.59 2kd0 s LEU 48 CO 0.00 -0.83 1.88 1.55 0.23 0.00 0.00 176.35 179.18 2kd0 h PRO 49 N 1.38 0.40 -0.98 1.29 0.13 -1.92 0.77 132.00 133.07 2kd0 h PRO 49 Ca -0.49 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2kd0 h PRO 49 Cb 1.22 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 2kd0 h PRO 49 CO 0.59 0.27 0.64 -0.09 -0.23 0.00 0.00 178.00 179.18 2kd0 h ARG 50 N 0.41 1.26 0.00 0.86 2.43 -1.99 -2.51 114.38 114.85 2kd0 h ARG 50 Ca 0.43 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2kd0 h ARG 50 Cb 1.04 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2kd0 h ARG 50 CO -0.15 0.84 -0.24 0.41 -1.51 0.00 0.00 179.97 179.32 2kd0 n GLY 51 N -1.37 -1.58 3.49 2.80 0.00 0.18 -4.72 105.19 103.99 2kd0 n GLY 51 Ca 0.12 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.12 3.17 -0.72 1.61 -0.21 -0.68 -4.23 119.66 115.49 2kd0 s GLN 52 Ca 0.09 -0.58 -0.17 0.00 0.02 0.00 0.00 55.36 54.72 2kd0 s GLN 52 Cb 0.13 -4.18 0.15 0.00 1.00 0.00 0.00 33.01 30.11 2kd0 s GLN 52 CO 0.64 -1.83 0.77 0.15 -2.12 0.00 0.00 175.29 172.90 2kd0 s LYS 53 N 4.44 3.31 -0.28 2.91 1.02 -1.02 -4.94 119.74 125.17 2kd0 s LYS 53 Ca 0.27 -1.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.15 2kd0 s LYS 53 Cb -0.14 -4.44 0.01 0.00 -0.52 0.00 0.00 37.83 32.74 2kd0 s LYS 53 CO 0.13 -1.48 1.09 -0.51 -0.92 0.00 0.00 175.35 173.67 2kd0 s LEU 54 N 1.74 3.99 -0.08 3.17 1.43 -1.26 -1.45 118.68 126.22 2kd0 s LEU 54 Ca 0.16 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 2kd0 s LEU 54 Cb -0.17 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2kd0 s LEU 54 CO -0.02 -0.83 -0.16 -0.63 0.23 0.00 0.00 176.35 174.94 2kd0 s ILE 55 N 3.58 1.42 0.01 -0.59 1.01 0.83 -1.42 121.20 126.03 2kd0 s ILE 55 Ca 0.46 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2kd0 s ILE 55 Cb -0.14 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 2kd0 s ILE 55 CO 0.13 0.42 -0.10 0.12 0.00 0.00 0.00 174.94 175.52 2kd0 s PHE 56 N 0.59 0.85 -1.24 3.97 5.36 0.17 -0.53 117.98 127.14 2kd0 s PHE 56 Ca -0.15 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 2kd0 s PHE 56 Cb -0.16 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 2kd0 s PHE 56 CO 0.05 -0.01 0.00 1.63 -1.46 0.00 0.00 175.22 175.43 2kd0 n LYS 57 N 2.53 -1.44 -1.44 10.12 4.76 -1.26 -0.44 118.16 131.00 2kd0 n LYS 57 Ca -0.15 0.89 -0.05 0.00 -2.87 0.00 0.00 58.31 56.13 2kd0 n LYS 57 Cb 0.56 -5.17 -0.01 0.00 -1.84 0.00 0.00 35.03 28.57 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 -0.30 0.56 2.95 0.72 0.00 -1.26 -5.05 105.19 102.81 2kd0 n GLY 58 Ca -0.12 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.98 1.35 0.27 1.61 2.20 0.42 -5.12 119.74 117.49 2kd0 s LYS 59 Ca 0.00 -0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 2kd0 s LYS 59 Cb 0.00 -1.24 -0.09 0.00 -1.51 0.00 0.00 37.83 34.99 2kd0 s LYS 59 CO 0.00 -0.07 1.24 0.54 -0.36 0.00 0.00 175.35 176.70 2kd0 s VAL 60 N 0.98 3.14 0.20 4.02 0.11 -1.26 -0.65 120.40 126.94 2kd0 s VAL 60 Ca -0.09 1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.96 2kd0 s VAL 60 Cb -0.15 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.97 2kd0 s VAL 60 CO 0.00 0.22 0.46 -0.76 -3.33 0.00 0.00 175.10 171.69 2kd0 s LEU 61 N -1.07 4.19 0.18 2.54 2.01 -0.51 -4.93 118.68 121.09 2kd0 s LEU 61 Ca 0.50 0.70 -0.16 0.00 0.01 0.00 0.00 54.13 55.18 2kd0 s LEU 61 Cb -0.36 -3.45 -0.07 0.00 0.01 0.00 0.00 46.19 42.31 2kd0 s LEU 61 CO 0.44 -0.04 0.61 -0.69 1.01 0.00 0.00 176.35 177.68 2kd0 s VAL 62 N -1.80 4.76 0.49 -1.59 1.01 -1.26 -4.85 120.40 117.15 2kd0 s VAL 62 Ca 0.43 0.96 0.21 0.00 0.00 0.00 0.00 61.98 63.58 2kd0 s VAL 62 Cb -0.11 -3.76 0.37 0.00 0.00 0.00 0.00 36.38 32.88 2kd0 s VAL 62 CO 0.25 0.20 1.97 -0.33 0.00 0.00 0.00 175.10 177.19 2kd0 h GLU 63 N 3.42 0.17 0.00 2.72 5.08 -1.98 0.75 114.58 124.74 2kd0 h GLU 63 Ca -0.48 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2kd0 h GLU 63 Cb 1.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kd0 h GLU 63 CO 0.66 0.11 -0.08 1.79 -1.00 0.00 0.00 179.01 180.49 2kd0 h THR 64 N 0.18 0.16 -3.59 1.13 1.35 -1.99 -3.31 112.91 106.84 2kd0 h THR 64 Ca 0.29 -1.06 -0.52 0.00 -0.55 0.00 0.00 66.41 64.57 2kd0 h THR 64 Cb 0.89 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 69.21 2kd0 h THR 64 CO -0.05 0.08 0.19 -0.94 -0.25 0.00 0.00 175.52 174.55 2kd0 s SER 65 N -6.13 7.30 0.53 5.36 1.04 0.26 -4.92 113.70 117.13 2kd0 s SER 65 Ca 0.05 1.61 0.05 0.00 0.48 0.00 0.00 55.95 58.14 2kd0 s SER 65 Cb 0.07 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.74 2kd0 s SER 65 CO 0.65 0.12 0.74 0.42 0.98 0.00 0.00 173.24 176.15 2kd0 s THR 66 N -1.32 2.61 0.20 2.02 -4.23 -1.26 -2.21 115.64 111.45 2kd0 s THR 66 Ca 0.40 -0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 59.98 2kd0 s THR 66 Cb -0.21 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 70.98 2kd0 s THR 66 CO 0.25 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 176.01 2kd0 h LEU 67 N 0.21 0.99 -1.01 4.79 -0.00 -1.17 -2.16 115.31 116.96 2kd0 h LEU 67 Ca -0.38 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.88 57.28 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 0.46 0.90 0.18 0.50 -0.00 0.00 0.00 178.44 180.48 2kd0 h LYS 68 N 1.03 0.90 -0.02 1.13 3.64 -0.93 -0.65 116.57 121.67 2kd0 h LYS 68 Ca 0.24 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2kd0 h LYS 68 Cb 0.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kd0 h LYS 68 CO -0.02 0.78 -0.21 1.96 -2.27 0.00 0.00 179.45 179.69 2kd0 h GLN 69 N 0.87 0.03 -0.64 1.90 4.20 -1.75 -2.93 115.11 116.79 2kd0 h GLN 69 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2kd0 h GLN 69 Cb 0.26 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kd0 h GLN 69 CO -0.01 0.25 0.00 0.43 -0.67 0.00 0.00 178.83 178.83 2kd0 n SER 70 N -4.27 3.21 -1.43 1.46 7.64 -0.41 -4.89 113.62 114.92 2kd0 n SER 70 Ca -0.02 -2.34 -0.18 0.00 1.01 0.00 0.00 58.87 57.33 2kd0 n SER 70 Cb 0.28 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.50 -5.19 -4.72 6.43 9.92 -1.09 -4.97 116.55 117.43 2kd0 n ASP 71 Ca 0.15 0.42 -0.41 0.00 -0.53 0.00 0.00 54.79 54.42 2kd0 n ASP 71 Cb 0.64 -4.29 -0.04 0.00 -0.64 0.00 0.00 41.12 36.79 2kd0 n ASP 71 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kd0 s VAL 72 N -2.69 4.85 0.21 2.53 1.01 -0.39 -5.03 120.40 120.90 2kd0 s VAL 72 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.85 2kd0 s VAL 72 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2kd0 s VAL 72 CO 0.00 0.23 0.12 0.61 0.00 0.00 0.00 175.10 176.07 2kd0 n GLY 73 N 2.80 3.50 3.60 4.51 0.00 -1.26 -4.42 105.19 113.92 2kd0 n GLY 73 Ca 0.02 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2kd0 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kd0 s SER 74 N -2.38 5.76 0.00 1.61 0.15 -1.26 -1.68 113.70 115.90 2kd0 s SER 74 Ca 0.18 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2kd0 s SER 74 Cb 0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2kd0 s SER 74 CO 0.12 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.42 2kd0 n GLY 75 N 5.48 0.86 3.83 9.45 0.00 0.76 -4.84 105.19 120.73 2kd0 n GLY 75 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 3.00 -0.19 4.61 0.00 -0.68 -4.90 121.76 121.60 2kd0 s ALA 76 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2kd0 s ALA 76 Cb 0.00 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 20.00 2kd0 s ALA 76 CO 0.00 -0.24 -0.13 0.15 0.00 0.00 0.00 175.76 175.53 2kd0 s LYS 77 N -3.81 2.31 -0.01 0.00 1.02 -1.26 -1.50 119.74 116.49 2kd0 s LYS 77 Ca 0.61 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 55.59 2kd0 s LYS 77 Cb -0.11 -2.45 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 2kd0 s LYS 77 CO 0.27 -0.36 0.44 -0.51 -0.92 0.00 0.00 175.35 174.27 2kd0 s LEU 78 N 1.35 4.45 -0.40 3.17 1.43 0.53 -4.88 118.68 124.33 2kd0 s LEU 78 Ca 0.00 0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 2kd0 s LEU 78 Cb -0.15 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.44 2kd0 s LEU 78 CO -0.09 0.27 0.61 -0.32 0.23 0.00 0.00 176.35 177.05 2kd0 s MET 79 N -0.82 3.43 -0.32 1.70 -2.45 0.30 -0.52 119.30 120.63 2kd0 s MET 79 Ca 0.25 -0.24 -0.08 0.00 -1.25 0.00 0.00 55.69 54.36 2kd0 s MET 79 Cb -0.17 -3.89 0.01 0.00 1.25 0.00 0.00 34.83 32.04 2kd0 s MET 79 CO 0.13 -0.87 0.13 -1.17 1.05 0.00 0.00 175.02 174.29 2kd0 s LEU 80 N 2.69 4.18 -0.55 4.11 2.96 -0.68 -0.12 118.68 131.26 2kd0 s LEU 80 Ca 0.22 -0.79 -0.21 0.00 -0.22 0.00 0.00 54.13 53.12 2kd0 s LEU 80 Cb -0.15 -1.94 0.06 0.00 0.50 0.00 0.00 46.19 44.66 2kd0 s LEU 80 CO 0.17 -0.26 0.79 -0.32 -1.32 0.00 0.00 176.35 175.41 2kd0 s MET 81 N 1.52 3.19 0.05 1.98 -2.45 -0.53 -3.45 119.30 119.62 2kd0 s MET 81 Ca 0.02 -0.70 0.03 0.00 -1.25 0.00 0.00 55.69 53.79 2kd0 s MET 81 Cb -0.18 -4.11 -0.03 0.00 1.25 0.00 0.00 34.83 31.76 2kd0 s MET 81 CO 0.04 -1.42 -0.09 0.00 1.05 0.00 0.00 175.02 174.61 2kd0 s ALA 82 N 3.28 0.73 0.17 4.11 0.00 -1.26 -2.44 121.76 126.35 2kd0 s ALA 82 Ca 0.21 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2kd0 s ALA 82 Cb -0.17 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.02 2kd0 s ALA 82 CO 0.14 -0.01 1.47 0.66 0.00 0.00 0.00 175.76 178.02 2kd0 h SER 83 N 4.29 0.73 -2.95 0.00 4.64 -1.96 -3.44 113.55 114.85 2kd0 h SER 83 Ca -0.37 -0.40 -0.58 0.00 -0.47 0.00 0.00 61.79 59.97 2kd0 h SER 83 Cb 1.20 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 2kd0 h SER 83 CO 0.43 1.14 -0.40 0.00 -0.87 0.00 0.00 176.83 177.13 2kd0 s GLN 84 N -4.02 3.51 0.00 4.77 0.00 -1.26 -5.17 119.66 117.50 2kd0 s GLN 84 Ca -0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 55.36 54.96 2kd0 s GLN 84 Cb 0.11 -2.93 0.00 0.00 0.00 0.00 0.00 33.01 30.19 2kd0 s GLN 84 CO 0.86 0.52 0.00 0.41 0.00 0.00 0.00 175.29 177.07