#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 -0.17 3.67 3.03 0.00 -1.26 -4.99 105.19 105.48 2kd0 n GLY 2 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2kd0 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kd0 s HIS 3 N 0.00 2.53 0.57 1.61 5.65 -1.26 -5.03 115.29 119.36 2kd0 s HIS 3 Ca 0.00 0.60 0.07 0.00 0.25 0.00 0.00 55.06 55.98 2kd0 s HIS 3 Cb 0.00 -3.75 0.07 0.00 -1.18 0.00 0.00 32.58 27.72 2kd0 s HIS 3 CO 0.00 -2.92 0.59 -1.01 -0.65 0.00 0.00 174.74 170.76 2kd0 s HIS 4 N 3.13 1.42 -0.03 3.88 4.02 -1.26 -5.14 115.29 121.30 2kd0 s HIS 4 Ca 0.66 -0.82 0.03 0.00 1.02 0.00 0.00 55.06 55.95 2kd0 s HIS 4 Cb -0.31 -2.03 0.00 0.00 -1.02 0.00 0.00 32.58 29.22 2kd0 s HIS 4 CO 0.26 -0.84 -0.10 -3.38 1.02 0.00 0.00 174.74 171.70 2kd0 s HIS 5 N -2.75 1.08 0.20 1.40 0.00 -1.26 -5.13 115.29 108.83 2kd0 s HIS 5 Ca 0.46 -0.29 -0.30 0.00 -3.00 0.00 0.00 55.06 51.93 2kd0 s HIS 5 Cb -0.04 -0.77 -0.08 0.00 -4.00 0.00 0.00 32.58 27.69 2kd0 s HIS 5 CO 0.29 -0.13 1.01 -1.01 -1.00 0.00 0.00 174.74 173.91 2kd0 s HIS 6 N 0.25 3.78 0.06 0.38 0.09 -1.26 -5.05 115.29 113.54 2kd0 s HIS 6 Ca -0.05 1.77 -0.26 0.00 -0.00 0.00 0.00 55.06 56.52 2kd0 s HIS 6 Cb -0.10 -3.12 0.08 0.00 -0.00 0.00 0.00 32.58 29.43 2kd0 s HIS 6 CO 0.01 -0.05 0.68 -3.38 -0.00 0.00 0.00 174.74 172.00 2kd0 s HIS 7 N -0.61 -0.54 0.31 1.40 0.00 -1.26 -5.15 115.29 109.44 2kd0 s HIS 7 Ca 0.45 0.55 -0.29 0.00 -3.00 0.00 0.00 55.06 52.77 2kd0 s HIS 7 Cb -0.27 0.51 -0.11 0.00 -4.00 0.00 0.00 32.58 28.71 2kd0 s HIS 7 CO 0.34 -0.72 1.49 -3.38 -1.00 0.00 0.00 174.74 171.47 2kd0 s HIS 8 N -2.83 2.82 -0.36 0.38 -0.00 -1.26 -4.99 115.29 109.04 2kd0 s HIS 8 Ca -0.02 1.03 0.01 0.00 -0.00 0.00 0.00 55.06 56.07 2kd0 s HIS 8 Cb -0.01 -3.94 0.10 0.00 -0.00 0.00 0.00 32.58 28.73 2kd0 s HIS 8 CO -0.05 -2.97 0.10 -1.12 -0.00 0.00 0.00 174.74 170.69 2kd0 s SER 9 N 0.17 4.97 -0.81 7.38 0.01 -1.26 -5.06 113.70 119.10 2kd0 s SER 9 Ca 0.58 -1.98 -0.25 0.00 1.31 0.00 0.00 55.95 55.60 2kd0 s SER 9 Cb -0.45 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 2kd0 s SER 9 CO 0.51 -0.43 1.72 -2.28 0.41 0.00 0.00 173.24 173.17 2kd0 s HIS 10 N 1.04 1.98 0.23 2.43 2.46 -1.26 -4.92 115.29 117.25 2kd0 s HIS 10 Ca 0.07 0.28 0.05 0.00 0.47 0.00 0.00 55.06 55.94 2kd0 s HIS 10 Cb -0.21 -4.28 -0.02 0.00 -0.13 0.00 0.00 32.58 27.94 2kd0 s HIS 10 CO -0.06 -2.01 0.19 -1.13 -2.47 0.00 0.00 174.74 169.26 2kd0 n SER 11 N 11.88 -0.40 -4.69 9.88 3.41 -1.26 -5.14 113.62 127.29 2kd0 n SER 11 Ca 0.27 -2.50 -0.40 0.00 -0.26 0.00 0.00 58.87 55.98 2kd0 n SER 11 Cb 0.50 1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 65.52 2kd0 n SER 11 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2kd0 s THR 12 N -2.91 5.03 -0.03 6.66 -4.23 -1.26 -4.55 115.64 114.35 2kd0 s THR 12 Ca 0.27 1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 61.93 2kd0 s THR 12 Cb 0.01 -4.00 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 2kd0 s THR 12 CO 0.19 0.18 0.54 0.27 -0.54 0.00 0.00 174.62 175.26 2kd0 s ILE 13 N 1.32 4.98 -0.33 2.99 -4.36 0.18 -4.81 121.20 121.17 2kd0 s ILE 13 Ca 0.34 1.12 -0.23 0.00 -0.26 0.00 0.00 60.65 61.62 2kd0 s ILE 13 Cb -0.17 -3.87 0.00 0.00 1.25 0.00 0.00 42.46 39.67 2kd0 s ILE 13 CO 0.14 0.43 0.75 -0.54 0.24 0.00 0.00 174.94 175.96 2kd0 s LYS 14 N -0.18 3.85 0.04 0.37 1.02 -1.26 -1.36 119.74 122.22 2kd0 s LYS 14 Ca 0.29 0.40 0.03 0.00 0.02 0.00 0.00 55.97 56.70 2kd0 s LYS 14 Cb -0.17 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 2kd0 s LYS 14 CO 0.15 -0.73 0.01 -0.51 -0.92 0.00 0.00 175.35 173.35 2kd0 s LEU 15 N 2.94 3.52 -0.34 3.17 1.43 0.95 -1.57 118.68 128.78 2kd0 s LEU 15 Ca 0.30 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2kd0 s LEU 15 Cb -0.14 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.04 2kd0 s LEU 15 CO 0.14 0.23 0.05 -0.89 0.23 0.00 0.00 176.35 176.12 2kd0 s THR 16 N -1.19 2.70 -0.13 5.49 2.01 -0.31 -0.17 115.64 124.03 2kd0 s THR 16 Ca 0.23 -1.93 -0.06 0.00 0.31 0.00 0.00 61.69 60.24 2kd0 s THR 16 Cb -0.12 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2kd0 s THR 16 CO 0.14 -0.42 0.09 0.54 -0.69 0.00 0.00 174.62 174.29 2kd0 s VAL 17 N 1.08 5.07 -0.35 3.82 0.11 -0.41 -0.65 120.40 129.07 2kd0 s VAL 17 Ca 0.03 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.92 2kd0 s VAL 17 Cb -0.20 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 2kd0 s VAL 17 CO -0.05 0.57 0.67 -0.54 -3.33 0.00 0.00 175.10 172.42 2kd0 s LYS 18 N -0.61 3.73 0.76 1.54 1.02 0.04 -0.52 119.74 125.69 2kd0 s LYS 18 Ca 0.12 0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.14 2kd0 s LYS 18 Cb -0.12 -3.80 0.05 0.00 -0.52 0.00 0.00 37.83 33.44 2kd0 s LYS 18 CO 0.02 -0.74 1.13 0.12 -0.92 0.00 0.00 175.35 174.97 2kd0 s PHE 19 N 2.78 3.12 0.50 3.18 2.19 0.16 0.12 117.98 130.02 2kd0 s PHE 19 Ca 0.26 0.93 0.34 0.00 0.33 0.00 0.00 56.93 58.79 2kd0 s PHE 19 Cb -0.14 -3.25 1.48 0.00 -1.31 0.00 0.00 43.02 39.79 2kd0 s PHE 19 CO 0.15 -1.49 1.73 0.78 1.83 0.00 0.00 175.22 178.22 2kd0 h GLY 20 N -0.86 0.45 0.00 13.12 0.00 -1.68 -3.32 103.07 110.77 2kd0 h GLY 20 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2kd0 h GLY 20 CO 0.64 -0.09 -0.60 0.61 0.00 0.00 0.00 176.54 177.10 2kd0 n GLY 21 N -1.70 0.00 3.63 4.60 0.00 -1.17 -5.04 105.19 105.51 2kd0 n GLY 21 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.39 0.54 -3.95 1.61 4.76 -0.38 -5.12 118.16 113.22 2kd0 n LYS 22 Ca 0.00 -2.86 -0.29 0.00 -2.87 0.00 0.00 58.31 52.29 2kd0 n LYS 22 Cb 0.30 -0.28 -0.16 0.00 -1.84 0.00 0.00 35.03 33.05 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 -4.41 3.08 -0.26 4.39 1.04 -1.26 0.35 113.70 116.63 2kd0 s SER 23 Ca 0.57 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 56.18 2kd0 s SER 23 Cb -0.04 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 2kd0 s SER 23 CO 0.37 -0.16 0.05 -0.63 0.98 0.00 0.00 173.24 173.85 2kd0 s ILE 24 N 1.51 4.00 -0.36 -1.02 -1.09 0.32 -4.96 121.20 119.61 2kd0 s ILE 24 Ca 0.00 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 57.73 2kd0 s ILE 24 Cb -0.16 -2.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 2kd0 s ILE 24 CO -0.08 0.25 0.91 -2.16 -1.23 0.00 0.00 174.94 172.63 2kd0 s PRO 25 N 1.54 3.87 0.38 2.79 0.05 -1.26 -1.29 135.00 141.08 2kd0 s PRO 25 Ca 0.05 0.61 0.08 0.00 0.05 0.00 0.00 61.00 61.78 2kd0 s PRO 25 Cb -0.16 -3.79 -0.05 0.00 0.05 0.00 0.00 34.50 30.55 2kd0 s PRO 25 CO 0.02 -0.90 0.11 -0.51 0.05 0.00 0.00 177.00 175.77 2kd0 s LEU 26 N 3.40 3.08 -0.18 -3.56 1.43 0.76 -4.97 118.68 118.64 2kd0 s LEU 26 Ca 0.38 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2kd0 s LEU 26 Cb -0.12 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.74 2kd0 s LEU 26 CO 0.17 -0.40 0.12 -0.94 0.23 0.00 0.00 176.35 175.54 2kd0 s SER 27 N -3.82 2.12 0.38 2.29 1.04 -1.26 -0.03 113.70 114.41 2kd0 s SER 27 Ca 0.38 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.32 2kd0 s SER 27 Cb 0.02 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 2kd0 s SER 27 CO 0.21 -0.35 0.11 0.68 0.98 0.00 0.00 173.24 174.87 2kd0 s VAL 28 N 2.19 0.75 -0.15 5.02 -7.23 -0.46 -4.88 120.40 115.63 2kd0 s VAL 28 Ca 0.03 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 2kd0 s VAL 28 Cb -0.16 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2kd0 s VAL 28 CO -0.10 0.00 0.13 -0.94 -0.31 0.00 0.00 175.10 173.87 2kd0 s SER 29 N -3.55 6.25 0.15 4.85 1.04 -1.26 0.48 113.70 121.65 2kd0 s SER 29 Ca 0.28 0.36 0.12 0.00 0.48 0.00 0.00 55.95 57.19 2kd0 s SER 29 Cb 0.05 -2.05 0.61 0.00 0.10 0.00 0.00 66.02 64.72 2kd0 s SER 29 CO 0.15 0.32 1.37 -0.81 0.98 0.00 0.00 173.24 175.24 2kd0 n PRO 30 N 2.60 0.07 0.06 4.02 -0.04 -1.26 -1.71 135.00 138.74 2kd0 n PRO 30 Ca -0.18 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2kd0 n PRO 30 Cb 0.54 -1.71 0.49 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.86 0.41 -4.82 3.54 9.92 -1.26 -2.32 116.55 120.17 2kd0 n ASP 31 Ca 0.00 0.55 -0.37 0.00 -0.53 0.00 0.00 54.79 54.44 2kd0 n ASP 31 Cb 0.05 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 39.82 2kd0 n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kd0 s THR 33 N -1.42 4.21 0.54 0.00 -4.23 -1.26 -3.06 115.64 110.42 2kd0 s THR 33 Ca 0.39 1.56 0.21 0.00 -1.18 0.00 0.00 61.69 62.67 2kd0 s THR 33 Cb -0.17 -3.74 0.30 0.00 1.34 0.00 0.00 72.50 70.23 2kd0 s THR 33 CO 0.21 -0.12 2.18 -0.37 -0.54 0.00 0.00 174.62 175.98 2kd0 h VAL 34 N 2.16 0.84 -0.15 2.29 -1.51 -1.78 -0.64 116.25 117.46 2kd0 h VAL 34 Ca -0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 2kd0 h VAL 34 Cb 1.19 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2kd0 h VAL 34 CO 0.62 0.00 0.00 0.50 -1.23 0.00 0.00 177.57 177.47 2kd0 h LYS 35 N 0.00 0.26 -0.88 5.19 3.64 -1.87 -1.69 116.57 121.22 2kd0 h LYS 35 Ca 0.00 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2kd0 h LYS 35 Cb 0.02 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 2kd0 h LYS 35 CO -0.00 0.48 0.56 0.22 -2.27 0.00 0.00 179.45 178.44 2kd0 h ASP 36 N 0.01 0.90 0.03 4.20 3.58 -1.60 -2.72 116.42 120.81 2kd0 h ASP 36 Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kd0 h ASP 36 Cb 0.37 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2kd0 h ASP 36 CO 0.01 0.60 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.88 2kd0 h LEU 37 N 1.05 -0.04 -1.72 2.28 3.38 -1.05 -0.72 115.31 118.50 2kd0 h LEU 37 Ca 0.36 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.53 2kd0 h LEU 37 Cb 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2kd0 h LEU 37 CO -0.14 -0.03 0.54 0.11 0.09 0.00 0.00 178.44 179.01 2kd0 h LYS 38 N -0.04 0.24 0.09 1.13 1.57 -1.01 0.27 116.57 118.82 2kd0 h LYS 38 Ca -0.00 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.48 2kd0 h LYS 38 Cb 0.04 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.32 2kd0 h LYS 38 CO -0.00 0.16 -1.18 1.03 -0.57 0.00 0.00 179.45 178.89 2kd0 h SER 39 N 0.25 0.79 0.47 0.86 0.87 -1.18 -3.11 113.55 112.49 2kd0 h SER 39 Ca 0.39 -0.71 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 2kd0 h SER 39 Cb 1.15 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2kd0 h SER 39 CO -0.09 1.52 -0.30 1.56 -0.53 0.00 0.00 176.83 178.98 2kd0 h GLN 40 N 0.26 0.00 0.00 2.24 4.20 0.52 -2.48 115.11 119.85 2kd0 h GLN 40 Ca -0.16 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 2kd0 h GLN 40 Cb 1.85 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 2kd0 h GLN 40 CO 0.22 0.30 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.42 2kd0 h LEU 41 N 0.00 0.00 -0.35 1.46 3.38 -0.59 -3.36 115.31 115.86 2kd0 h LEU 41 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2kd0 h LEU 41 Cb 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2kd0 h LEU 41 CO 0.04 0.19 -0.21 1.56 0.09 0.00 0.00 178.44 180.10 2kd0 h GLN 42 N 0.00 -0.16 0.00 1.13 4.20 -1.37 0.50 115.11 119.41 2kd0 h GLN 42 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kd0 h GLN 42 Cb 0.83 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2kd0 h GLN 42 CO 0.02 -0.11 0.00 -0.35 -0.67 0.00 0.00 178.83 177.73 2kd0 n PRO 43 N -5.38 0.25 -0.02 1.46 -0.04 -1.26 -1.55 135.00 128.47 2kd0 n PRO 43 Ca 0.01 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.56 2kd0 n PRO 43 Cb 0.29 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.26 0.82 0.21 0.52 5.41 0.17 -4.74 119.36 120.49 2kd0 n ILE 44 Ca 0.08 0.27 0.09 0.00 1.00 0.00 0.00 62.75 64.19 2kd0 n ILE 44 Cb 0.12 -1.75 0.31 0.00 -0.71 0.00 0.00 39.64 37.62 2kd0 n ILE 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2kd0 h THR 45 N -0.36 0.43 -1.26 1.39 1.35 -0.27 -3.47 112.91 110.72 2kd0 h THR 45 Ca 0.00 -1.30 -0.19 0.00 -0.55 0.00 0.00 66.41 64.37 2kd0 h THR 45 Cb 0.36 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 2kd0 h THR 45 CO 0.00 0.21 -0.24 0.59 -0.25 0.00 0.00 175.52 175.83 2kd0 n ASN 46 N -3.24 -3.37 -4.25 5.36 3.02 -0.59 -5.00 115.26 107.18 2kd0 n ASN 46 Ca 0.02 0.02 -0.23 0.00 -0.03 0.00 0.00 54.58 54.36 2kd0 n ASN 46 Cb 0.52 -2.53 -0.13 0.00 -0.61 0.00 0.00 39.78 37.03 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 -2.46 1.57 0.43 2.41 0.11 -1.26 -5.07 120.40 116.13 2kd0 s VAL 47 Ca 0.00 -1.40 -0.24 0.00 -2.93 0.00 0.00 61.98 57.41 2kd0 s VAL 47 Cb 0.00 -1.42 -0.08 0.00 -1.53 0.00 0.00 36.38 33.35 2kd0 s VAL 47 CO 0.00 -0.02 1.21 -0.76 -3.33 0.00 0.00 175.10 172.20 2kd0 s LEU 48 N -1.67 4.12 0.33 2.54 1.43 -1.26 -4.44 118.68 119.72 2kd0 s LEU 48 Ca 0.05 2.44 0.25 0.00 -1.03 0.00 0.00 54.13 55.84 2kd0 s LEU 48 Cb -0.10 -4.08 1.16 0.00 0.03 0.00 0.00 46.19 43.20 2kd0 s LEU 48 CO 0.03 -0.86 1.77 1.55 0.23 0.00 0.00 176.35 179.07 2kd0 h PRO 49 N 2.37 0.00 -0.01 1.29 0.13 -1.94 -2.66 132.00 131.18 2kd0 h PRO 49 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kd0 h PRO 49 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kd0 h PRO 49 CO 0.61 0.00 -0.00 -0.09 -0.23 0.00 0.00 178.00 178.29 2kd0 h ARG 50 N 0.00 0.01 0.00 0.86 2.43 -1.95 -3.31 114.38 112.42 2kd0 h ARG 50 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2kd0 h ARG 50 Cb 0.27 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2kd0 h ARG 50 CO 0.00 0.41 -0.73 0.78 -1.51 0.00 0.00 179.97 178.91 2kd0 h GLY 51 N -0.38 0.00 -7.36 2.80 0.00 -1.85 -3.42 103.07 92.86 2kd0 h GLY 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2kd0 h GLY 51 CO 0.00 0.00 0.38 1.20 0.00 0.00 0.00 176.54 178.13 2kd0 s GLN 52 N -3.12 1.85 -0.65 4.80 -0.21 -1.03 -4.58 119.66 116.71 2kd0 s GLN 52 Ca 0.01 0.48 -0.20 0.00 0.02 0.00 0.00 55.36 55.66 2kd0 s GLN 52 Cb 0.11 -4.79 0.10 0.00 1.00 0.00 0.00 33.01 29.42 2kd0 s GLN 52 CO 0.77 -4.08 0.83 0.15 -2.12 0.00 0.00 175.29 170.85 2kd0 s LYS 53 N 8.45 3.13 -0.44 2.91 1.02 -1.24 -4.97 119.74 128.60 2kd0 s LYS 53 Ca 0.89 -1.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 2kd0 s LYS 53 Cb -0.12 -4.31 0.02 0.00 -0.52 0.00 0.00 37.83 32.89 2kd0 s LYS 53 CO 0.09 -1.65 1.34 -0.51 -0.92 0.00 0.00 175.35 173.70 2kd0 s LEU 54 N 3.08 3.59 -0.22 3.17 1.43 -1.26 -2.37 118.68 126.11 2kd0 s LEU 54 Ca 0.17 0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2kd0 s LEU 54 Cb -0.20 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.50 2kd0 s LEU 54 CO 0.06 -1.39 -0.10 -0.63 0.23 0.00 0.00 176.35 174.51 2kd0 s ILE 55 N 5.19 2.79 -0.14 -0.59 1.01 0.53 -0.49 121.20 129.49 2kd0 s ILE 55 Ca 0.57 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2kd0 s ILE 55 Cb -0.12 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.08 2kd0 s ILE 55 CO 0.32 0.39 -0.21 0.12 0.00 0.00 0.00 174.94 175.57 2kd0 s PHE 56 N 1.37 2.58 -1.56 3.97 5.36 0.46 -0.22 117.98 129.94 2kd0 s PHE 56 Ca 0.04 -1.34 0.00 0.00 -0.96 0.00 0.00 56.93 54.67 2kd0 s PHE 56 Cb -0.15 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 2kd0 s PHE 56 CO -0.07 -0.63 0.00 1.63 -1.46 0.00 0.00 175.22 174.69 2kd0 n LYS 57 N 4.20 -1.53 -0.00 10.12 4.76 -1.26 -1.33 118.16 133.12 2kd0 n LYS 57 Ca -0.20 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 2kd0 n LYS 57 Cb 0.51 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 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 -0.17 0.20 3.58 0.72 0.00 -1.26 -5.07 105.19 103.19 2kd0 n GLY 58 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.00 3.54 0.02 1.61 2.20 -0.44 -5.08 119.74 120.59 2kd0 s LYS 59 Ca 0.00 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2kd0 s LYS 59 Cb 0.00 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 2kd0 s LYS 59 CO 0.00 0.39 1.28 0.08 -0.36 0.00 0.00 175.35 176.74 2kd0 s VAL 60 N -0.00 3.91 0.30 4.02 1.01 -1.26 -0.40 120.40 127.97 2kd0 s VAL 60 Ca 0.03 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 2kd0 s VAL 60 Cb -0.13 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 2kd0 s VAL 60 CO 0.02 0.04 1.54 0.18 0.00 0.00 0.00 175.10 176.89 2kd0 n LEU 61 N 4.70 4.17 -4.71 3.92 7.99 0.36 -4.95 117.00 128.47 2kd0 n LEU 61 Ca 0.11 1.16 -0.42 0.00 -0.01 0.00 0.00 56.01 56.85 2kd0 n LEU 61 Cb 0.45 -1.56 -0.03 0.00 -0.11 0.00 0.00 43.42 42.16 2kd0 n LEU 61 CO 0.57 0.02 0.71 -0.69 -1.51 0.00 0.00 177.39 176.49 2kd0 s VAL 62 N -0.17 4.69 0.50 4.08 1.01 -1.26 -4.91 120.40 124.34 2kd0 s VAL 62 Ca 0.63 1.98 0.22 0.00 0.00 0.00 0.00 61.98 64.81 2kd0 s VAL 62 Cb -0.52 -4.27 0.27 0.00 0.00 0.00 0.00 36.38 31.87 2kd0 s VAL 62 CO 0.51 0.18 2.12 -0.33 0.00 0.00 0.00 175.10 177.57 2kd0 h GLU 63 N 6.59 0.00 -0.02 2.72 5.08 -1.96 -0.45 114.58 126.54 2kd0 h GLU 63 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2kd0 h GLU 63 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2kd0 h GLU 63 CO 0.75 0.08 0.00 0.25 -1.00 0.00 0.00 179.01 179.09 2kd0 n THR 64 N -4.08 0.03 -4.79 1.13 -2.24 -1.26 -4.28 114.28 98.79 2kd0 n THR 64 Ca -0.03 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 2kd0 n THR 64 Cb 0.16 -0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.05 2kd0 n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kd0 s SER 65 N -1.57 1.99 0.96 3.42 1.04 -0.18 -5.09 113.70 114.27 2kd0 s SER 65 Ca 0.28 -0.31 -0.15 0.00 0.48 0.00 0.00 55.95 56.25 2kd0 s SER 65 Cb 0.13 -0.36 0.21 0.00 0.10 0.00 0.00 66.02 66.11 2kd0 s SER 65 CO 0.22 0.18 1.31 0.42 0.98 0.00 0.00 173.24 176.35 2kd0 s THR 66 N -0.21 2.00 0.12 2.02 -4.23 -1.26 -3.35 115.64 110.74 2kd0 s THR 66 Ca 0.02 -0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 2kd0 s THR 66 Cb -0.08 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2kd0 s THR 66 CO 0.00 0.00 1.69 -0.07 -0.54 0.00 0.00 174.62 175.71 2kd0 h LEU 67 N -1.62 0.45 -0.56 4.79 -0.00 -1.54 -1.42 115.31 115.41 2kd0 h LEU 67 Ca -0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 2kd0 h LEU 67 Cb 1.22 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 2kd0 h LEU 67 CO 0.34 0.46 0.36 0.50 -0.00 0.00 0.00 178.44 180.09 2kd0 h LYS 68 N 0.40 0.75 0.00 1.13 3.64 -1.64 0.99 116.57 121.84 2kd0 h LYS 68 Ca 0.11 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2kd0 h LYS 68 Cb 0.13 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2kd0 h LYS 68 CO -0.01 0.52 -0.11 1.96 -2.27 0.00 0.00 179.45 179.53 2kd0 h GLN 69 N 0.76 0.00 -0.20 1.90 4.20 -1.79 -1.05 115.11 118.92 2kd0 h GLN 69 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2kd0 h GLN 69 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2kd0 h GLN 69 CO -0.04 0.11 0.00 0.43 -0.67 0.00 0.00 178.83 178.66 2kd0 n SER 70 N -3.75 2.33 -1.56 1.46 7.64 -0.55 -4.90 113.62 114.28 2kd0 n SER 70 Ca -0.02 -1.80 -0.17 0.00 1.01 0.00 0.00 58.87 57.88 2kd0 n SER 70 Cb 0.22 -0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.77 -5.11 -4.70 6.43 8.00 -0.40 -4.98 116.55 116.55 2kd0 n ASP 71 Ca 0.17 0.28 -0.41 0.00 0.71 0.00 0.00 54.79 55.54 2kd0 n ASP 71 Cb 0.44 -4.16 -0.04 0.00 -0.02 0.00 0.00 41.12 37.34 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 -2.72 4.94 0.18 2.53 1.01 0.25 -5.00 120.40 121.59 2kd0 s VAL 72 Ca 0.00 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.69 2kd0 s VAL 72 Cb 0.00 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2kd0 s VAL 72 CO 0.00 0.16 0.08 0.61 0.00 0.00 0.00 175.10 175.94 2kd0 n GLY 73 N 3.14 3.68 3.65 4.51 0.00 -1.26 -4.26 105.19 114.65 2kd0 n GLY 73 Ca 0.03 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.13 6.35 0.00 1.61 1.04 -1.26 -1.99 113.70 117.32 2kd0 s SER 74 Ca 0.11 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.08 2kd0 s SER 74 Cb 0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2kd0 s SER 74 CO 0.08 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2kd0 n GLY 75 N 4.65 0.80 3.78 7.32 0.00 -0.61 -4.93 105.19 116.20 2kd0 n GLY 75 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.26 4.61 0.00 -0.84 -4.89 121.76 121.57 2kd0 s ALA 76 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2kd0 s ALA 76 Cb 0.00 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.89 2kd0 s ALA 76 CO 0.00 -0.12 -0.06 0.15 0.00 0.00 0.00 175.76 175.72 2kd0 s LYS 77 N -2.14 2.65 0.56 0.00 1.02 -1.26 -1.16 119.74 119.41 2kd0 s LYS 77 Ca 0.53 -1.10 0.08 0.00 0.02 0.00 0.00 55.97 55.51 2kd0 s LYS 77 Cb -0.24 -2.99 0.07 0.00 -0.52 0.00 0.00 37.83 34.15 2kd0 s LYS 77 CO 0.30 -0.47 0.67 -0.51 -0.92 0.00 0.00 175.35 174.43 2kd0 s LEU 78 N 1.27 3.03 0.07 3.17 1.43 0.18 -4.75 118.68 123.09 2kd0 s LEU 78 Ca -0.02 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.21 2kd0 s LEU 78 Cb -0.18 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2kd0 s LEU 78 CO -0.04 -1.24 -0.16 -0.32 0.23 0.00 0.00 176.35 174.82 2kd0 s MET 79 N -4.54 0.93 -0.28 1.70 -2.45 0.69 -0.78 119.30 114.57 2kd0 s MET 79 Ca 0.54 -0.98 -0.02 0.00 -1.25 0.00 0.00 55.69 53.98 2kd0 s MET 79 Cb -0.05 -1.01 0.09 0.00 1.25 0.00 0.00 34.83 35.11 2kd0 s MET 79 CO 0.34 0.23 0.09 -1.17 1.05 0.00 0.00 175.02 175.57 2kd0 s LEU 80 N -1.68 1.61 -0.84 4.11 2.96 0.12 -0.35 118.68 124.62 2kd0 s LEU 80 Ca 0.01 -1.40 -0.25 0.00 -0.22 0.00 0.00 54.13 52.27 2kd0 s LEU 80 Cb -0.10 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 45.92 2kd0 s LEU 80 CO 0.03 -0.40 1.61 -0.32 -1.32 0.00 0.00 176.35 175.94 2kd0 s MET 81 N 1.78 3.04 0.29 1.98 -2.45 -1.00 -2.83 119.30 120.12 2kd0 s MET 81 Ca 0.08 -0.34 -0.06 0.00 -1.25 0.00 0.00 55.69 54.11 2kd0 s MET 81 Cb -0.17 -4.78 -0.00 0.00 1.25 0.00 0.00 34.83 31.12 2kd0 s MET 81 CO -0.25 -2.58 0.44 0.00 1.05 0.00 0.00 175.02 173.68 2kd0 s ALA 82 N 7.23 0.41 0.31 4.11 0.00 -1.26 -3.62 121.76 128.94 2kd0 s ALA 82 Ca 0.53 -1.28 0.09 0.00 0.00 0.00 0.00 51.96 51.30 2kd0 s ALA 82 Cb -0.06 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 24.15 2kd0 s ALA 82 CO 0.05 -0.79 0.02 -1.54 0.00 0.00 0.00 175.76 173.50 2kd0 s SER 83 N -3.14 4.37 -0.87 0.00 1.04 -1.26 -4.17 113.70 109.68 2kd0 s SER 83 Ca 0.28 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2kd0 s SER 83 Cb 0.00 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2kd0 s SER 83 CO 0.15 -0.15 0.00 0.00 0.98 0.00 0.00 173.24 174.22 2kd0 n GLN 84 N -0.96 -1.07 0.00 4.02 1.13 -1.26 -5.00 117.38 114.24 2kd0 n GLN 84 Ca -0.05 0.72 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 2kd0 n GLN 84 Cb 0.61 -4.74 0.00 0.00 0.11 0.00 0.00 30.24 26.21 2kd0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03