#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw9 s GLY 2 N 0.00 0.63 -1.32 3.03 0.00 -1.26 -5.08 107.32 103.33 2kw9 s GLY 2 Ca 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.61 2kw9 s GLY 2 CO 0.00 -0.63 1.84 -2.39 0.00 0.00 0.00 173.10 171.92 2kw9 n HIS 3 N -0.43 4.35 -3.06 1.90 -0.00 -1.26 -4.93 115.22 111.80 2kw9 n HIS 3 Ca -0.02 -2.79 -0.44 0.00 -0.00 0.00 0.00 57.72 54.47 2kw9 n HIS 3 Cb 0.61 -2.62 -0.05 0.00 -0.00 0.00 0.00 29.99 27.94 2kw9 n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kw9 s HIS 4 N 4.38 2.93 -0.17 -1.40 0.00 -1.26 -5.00 115.29 114.78 2kw9 s HIS 4 Ca 0.54 -0.78 -0.26 0.00 -3.00 0.00 0.00 55.06 51.55 2kw9 s HIS 4 Cb 0.06 -4.00 0.07 0.00 -4.00 0.00 0.00 32.58 24.70 2kw9 s HIS 4 CO 0.05 -1.33 0.66 -3.38 -1.00 0.00 0.00 174.74 169.74 2kw9 s HIS 5 N 3.01 -0.69 -0.03 0.38 0.00 -1.26 -5.17 115.29 111.52 2kw9 s HIS 5 Ca 0.15 1.49 -0.01 0.00 -3.00 0.00 0.00 55.06 53.69 2kw9 s HIS 5 Cb -0.22 0.30 0.03 0.00 -4.00 0.00 0.00 32.58 28.70 2kw9 s HIS 5 CO 0.08 -0.45 0.06 -3.38 -1.00 0.00 0.00 174.74 170.05 2kw9 s HIS 6 N -0.30 -0.03 -0.30 0.38 0.00 -1.26 -5.14 115.29 108.65 2kw9 s HIS 6 Ca -0.05 0.24 -0.21 0.00 -3.00 0.00 0.00 55.06 52.03 2kw9 s HIS 6 Cb -0.03 -0.20 0.18 0.00 -4.00 0.00 0.00 32.58 28.54 2kw9 s HIS 6 CO 0.04 -0.11 1.30 -1.58 -1.00 0.00 0.00 174.74 173.39 2kw9 s HIS 7 N 1.13 -0.15 -0.11 0.38 5.65 -1.26 -5.19 115.29 115.73 2kw9 s HIS 7 Ca -0.09 0.34 -0.21 0.00 0.25 0.00 0.00 55.06 55.36 2kw9 s HIS 7 Cb -0.13 0.32 0.05 0.00 -1.18 0.00 0.00 32.58 31.65 2kw9 s HIS 7 CO -0.04 -0.07 0.51 -1.58 -0.65 0.00 0.00 174.74 172.91 2kw9 s HIS 8 N 0.47 -0.50 0.09 3.88 5.65 -1.26 -5.18 115.29 118.44 2kw9 s HIS 8 Ca 0.01 1.05 -0.12 0.00 0.25 0.00 0.00 55.06 56.24 2kw9 s HIS 8 Cb -0.04 0.23 0.02 0.00 -1.18 0.00 0.00 32.58 31.60 2kw9 s HIS 8 CO -0.13 -0.40 0.29 -1.54 -0.65 0.00 0.00 174.74 172.31 2kw9 s SER 9 N -0.52 -0.05 -0.23 9.88 1.04 -1.26 -5.18 113.70 117.37 2kw9 s SER 9 Ca -0.06 -0.43 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 2kw9 s SER 9 Cb -0.03 0.39 0.16 0.00 0.10 0.00 0.00 66.02 66.64 2kw9 s SER 9 CO 0.04 -0.74 1.22 -1.38 0.98 0.00 0.00 173.24 173.36 2kw9 s HIS 10 N -3.50 -0.16 -0.02 5.02 -0.00 -1.26 -5.19 115.29 110.18 2kw9 s HIS 10 Ca 0.02 0.26 -0.22 0.00 -0.00 0.00 0.00 55.06 55.12 2kw9 s HIS 10 Cb 0.02 0.48 0.04 0.00 -0.00 0.00 0.00 32.58 33.13 2kw9 s HIS 10 CO -0.09 -0.16 0.47 1.41 -0.00 0.00 0.00 174.74 176.37 2kw9 s MET 11 N -1.19 0.85 -0.30 -0.38 -2.45 -1.26 -5.16 119.30 109.41 2kw9 s MET 11 Ca 0.05 -0.03 -0.05 0.00 -1.25 0.00 0.00 55.69 54.42 2kw9 s MET 11 Cb -0.01 0.39 0.17 0.00 1.25 0.00 0.00 34.83 36.63 2kw9 s MET 11 CO -0.04 -0.25 0.65 -1.54 1.05 0.00 0.00 175.02 174.88 2kw9 s SER 12 N -1.34 -1.25 -0.09 1.11 1.04 -1.26 -5.16 113.70 106.75 2kw9 s SER 12 Ca -0.12 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 2kw9 s SER 12 Cb -0.03 2.16 -0.05 0.00 0.10 0.00 0.00 66.02 68.21 2kw9 s SER 12 CO 0.06 -0.24 0.25 0.42 0.98 0.00 0.00 173.24 174.71 2kw9 s THR 13 N 2.86 5.32 0.04 2.02 -4.23 -1.26 -5.06 115.64 115.34 2kw9 s THR 13 Ca 0.11 0.46 -0.31 0.00 -1.18 0.00 0.00 61.69 60.77 2kw9 s THR 13 Cb -0.14 -3.54 -0.10 0.00 1.34 0.00 0.00 72.50 70.07 2kw9 s THR 13 CO -0.20 0.56 1.92 -2.65 -0.54 0.00 0.00 174.62 173.72 2kw9 n PRO 14 N 2.24 2.74 -3.09 3.99 -0.02 -1.26 -5.00 135.00 134.60 2kw9 n PRO 14 Ca -0.17 1.00 -0.17 0.00 -2.02 0.00 0.00 63.50 62.14 2kw9 n PRO 14 Cb 0.54 -2.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.10 2kw9 n PRO 14 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kw9 s LEU 15 N 3.89 3.71 0.00 2.45 1.43 -1.26 -5.14 118.68 123.77 2kw9 s LEU 15 Ca 0.88 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2kw9 s LEU 15 Cb -0.49 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2kw9 s LEU 15 CO 0.42 -0.70 0.01 1.07 0.23 0.00 0.00 176.35 177.38 2kw9 n THR 16 N -1.82 0.00 -0.74 5.49 5.66 -1.26 -4.99 114.28 116.62 2kw9 n THR 16 Ca 0.06 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2kw9 n THR 16 Cb 0.59 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.09 2kw9 n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kw9 n GLY 17 N 4.92 -1.29 2.96 1.09 0.00 -1.26 -5.13 105.19 106.49 2kw9 n GLY 17 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2kw9 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kw9 s LYS 18 N -0.15 0.31 0.00 1.61 -2.85 -1.26 -5.16 119.74 112.23 2kw9 s LYS 18 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2kw9 s LYS 18 Cb 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 2kw9 s LYS 18 CO 0.00 0.03 0.00 -0.35 0.10 0.00 0.00 175.35 175.13 2kw9 n PRO 19 N 2.35 1.67 0.00 1.78 -0.04 -1.26 -5.08 135.00 134.42 2kw9 n PRO 19 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2kw9 n PRO 19 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2kw9 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kw9 n GLY 20 N 5.00 -1.59 3.82 0.55 0.00 -1.26 -5.10 105.19 106.61 2kw9 n GLY 20 Ca 0.00 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.36 2kw9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 s ALA 21 N -1.00 2.92 0.72 4.61 0.00 -1.26 -4.99 121.76 122.75 2kw9 s ALA 21 Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 2kw9 s ALA 21 Cb 0.00 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2kw9 s ALA 21 CO 0.00 -0.38 1.10 -0.51 0.00 0.00 0.00 175.76 175.96 2kw9 s LEU 22 N -3.96 3.20 0.12 0.00 1.43 -1.26 -4.96 118.68 113.25 2kw9 s LEU 22 Ca 0.63 1.89 -0.31 0.00 -1.03 0.00 0.00 54.13 55.31 2kw9 s LEU 22 Cb -0.13 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.46 2kw9 s LEU 22 CO 0.28 -1.82 1.79 -2.84 0.23 0.00 0.00 176.35 174.00 2kw9 s PRO 23 N -4.53 4.15 0.00 1.29 0.02 -1.26 -4.89 135.00 129.78 2kw9 s PRO 23 Ca 0.64 2.55 0.28 0.00 0.02 0.00 0.00 61.00 64.48 2kw9 s PRO 23 Cb -0.18 -3.58 1.54 0.00 0.02 0.00 0.00 34.50 32.30 2kw9 s PRO 23 CO 0.49 -0.82 1.98 0.00 -0.33 0.00 0.00 177.00 178.32 2kw9 n ALA 24 N 5.63 2.46 -1.28 -1.55 0.00 -1.26 -3.40 120.51 121.10 2kw9 n ALA 24 Ca 0.17 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 2kw9 n ALA 24 Cb 0.38 -1.45 0.17 0.00 0.00 0.00 0.00 19.45 18.55 2kw9 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kw9 n ASN 25 N -1.13 4.09 -0.22 0.00 4.13 -1.26 -4.61 115.26 116.25 2kw9 n ASN 25 Ca 0.17 -3.66 -0.02 0.00 1.68 0.00 0.00 54.58 52.75 2kw9 n ASN 25 Cb 0.15 -0.82 0.09 0.00 -1.54 0.00 0.00 39.78 37.65 2kw9 n ASN 25 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2kw9 h LEU 26 N 1.14 0.53 -1.53 3.41 3.38 -1.96 -1.28 115.31 119.00 2kw9 h LEU 26 Ca 0.58 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.54 2kw9 h LEU 26 Cb 2.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 43.11 2kw9 h LEU 26 CO 1.07 0.35 -0.07 0.44 0.09 0.00 0.00 178.44 180.32 2kw9 h ASP 27 N 0.66 0.20 1.31 -0.43 5.19 -1.92 -2.69 116.42 118.75 2kw9 h ASP 27 Ca 0.28 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.61 2kw9 h ASP 27 Cb 0.17 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2kw9 h ASP 27 CO -0.17 0.30 -0.25 0.44 -3.12 0.00 0.00 179.24 176.45 2kw9 h ASP 28 N 0.21 0.00 -2.99 6.45 3.32 -1.59 -3.46 116.42 118.36 2kw9 h ASP 28 Ca 0.05 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.64 2kw9 h ASP 28 Cb 0.26 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.95 2kw9 h ASP 28 CO 0.01 0.25 0.28 -0.04 -1.72 0.00 0.00 179.24 178.02 2kw9 s MET 29 N -3.36 0.96 0.49 3.56 -1.94 -0.88 -5.09 119.30 113.04 2kw9 s MET 29 Ca 0.03 -0.84 -0.08 0.00 -1.71 0.00 0.00 55.69 53.09 2kw9 s MET 29 Cb 0.08 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.81 2kw9 s MET 29 CO 0.67 -2.07 0.83 0.15 -0.01 0.00 0.00 175.02 174.58 2kw9 s LYS 30 N -5.58 3.61 0.25 2.03 1.02 -1.26 -4.99 119.74 114.83 2kw9 s LYS 30 Ca 0.72 0.37 -0.04 0.00 0.02 0.00 0.00 55.97 57.04 2kw9 s LYS 30 Cb -0.03 -2.33 0.37 0.00 -0.52 0.00 0.00 37.83 35.33 2kw9 s LYS 30 CO 0.50 -0.23 1.86 0.28 -0.92 0.00 0.00 175.35 176.84 2kw9 h VAL 31 N 0.34 1.05 -0.67 3.17 2.07 -1.97 -1.98 116.25 118.26 2kw9 h VAL 31 Ca -0.46 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2kw9 h VAL 31 Cb 1.20 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2kw9 h VAL 31 CO 0.62 0.19 0.38 0.00 0.02 0.00 0.00 177.57 178.78 2kw9 h ALA 32 N 1.43 0.89 -0.84 1.67 0.00 -1.99 -0.91 119.26 119.51 2kw9 h ALA 32 Ca 0.41 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.33 2kw9 h ALA 32 Cb 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2kw9 h ALA 32 CO -0.18 0.06 0.55 0.93 0.00 0.00 0.00 179.25 180.61 2kw9 h GLU 33 N 0.70 1.12 -0.36 0.00 4.39 -1.75 0.12 114.58 118.80 2kw9 h GLU 33 Ca 0.30 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 2kw9 h GLU 33 Cb 0.17 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2kw9 h GLU 33 CO -0.17 0.74 0.15 -0.07 -1.16 0.00 0.00 179.01 178.50 2kw9 h LEU 34 N 1.15 0.49 -1.55 1.33 3.38 -1.13 -1.07 115.31 117.90 2kw9 h LEU 34 Ca 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2kw9 h LEU 34 Cb -0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2kw9 h LEU 34 CO -0.07 0.51 0.24 0.11 0.09 0.00 0.00 178.44 179.32 2kw9 h LYS 35 N 0.44 0.54 0.02 1.13 1.57 -0.61 -0.42 116.57 119.24 2kw9 h LYS 35 Ca 0.12 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kw9 h LYS 35 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2kw9 h LYS 35 CO -0.01 0.38 -0.01 0.37 -0.57 0.00 0.00 179.45 179.61 2kw9 h GLN 36 N 0.55 -0.03 -1.01 3.15 5.75 -0.30 -1.28 115.11 121.94 2kw9 h GLN 36 Ca 0.15 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.69 2kw9 h GLN 36 Cb -0.01 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 2kw9 h GLN 36 CO -0.03 0.21 0.66 0.93 -2.65 0.00 0.00 178.83 177.95 2kw9 h GLU 37 N -0.27 1.24 0.48 1.69 4.39 -0.80 -2.71 114.58 118.60 2kw9 h GLU 37 Ca -0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2kw9 h GLU 37 Cb 0.26 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kw9 h GLU 37 CO 0.01 0.82 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.37 2kw9 h LEU 38 N 1.28 -0.55 -0.94 1.33 3.38 -1.01 -3.15 115.31 115.65 2kw9 h LEU 38 Ca 0.40 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.40 2kw9 h LEU 38 Cb 0.00 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 2kw9 h LEU 38 CO -0.13 -0.24 0.58 0.07 0.09 0.00 0.00 178.44 178.81 2kw9 h LYS 39 N -0.87 0.94 0.00 1.13 2.10 -1.14 0.51 116.57 119.24 2kw9 h LYS 39 Ca -0.07 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.51 2kw9 h LYS 39 Cb 0.58 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2kw9 h LYS 39 CO 0.11 0.62 -0.08 -0.07 -2.00 0.00 0.00 179.45 178.03 2kw9 h LEU 40 N 0.97 0.00 -3.34 7.07 3.38 -1.55 -2.18 115.31 119.65 2kw9 h LEU 40 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2kw9 h LEU 40 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kw9 h LEU 40 CO -0.23 0.08 0.00 0.54 0.09 0.00 0.00 178.44 178.92 2kw9 n ARG 41 N -3.38 3.93 -1.26 1.13 1.74 -0.04 -4.93 116.66 113.85 2kw9 n ARG 41 Ca -0.01 -2.95 -0.09 0.00 -0.77 0.00 0.00 57.85 54.03 2kw9 n ARG 41 Cb 0.25 -2.00 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 2kw9 n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kw9 n SER 42 N 0.37 -4.75 -4.84 0.55 2.88 -0.82 -5.00 113.62 102.02 2kw9 n SER 42 Ca 0.24 0.22 -0.36 0.00 -1.33 0.00 0.00 58.87 57.64 2kw9 n SER 42 Cb 0.99 -3.04 -0.06 0.00 -0.75 0.00 0.00 64.21 61.36 2kw9 n SER 42 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kw9 s LEU 43 N -2.04 4.39 0.17 2.46 1.43 -0.03 -4.98 118.68 120.08 2kw9 s LEU 43 Ca 0.00 1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.89 2kw9 s LEU 43 Cb 0.00 -3.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 2kw9 s LEU 43 CO 0.00 0.17 1.40 -2.16 0.23 0.00 0.00 176.35 175.98 2kw9 s PRO 44 N -1.68 4.32 -0.49 1.29 0.04 -1.26 -3.60 135.00 133.61 2kw9 s PRO 44 Ca 0.34 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2kw9 s PRO 44 Cb -0.16 -3.19 0.43 0.00 0.04 0.00 0.00 34.50 31.62 2kw9 s PRO 44 CO 0.18 -0.40 1.94 1.33 0.04 0.00 0.00 177.00 180.09 2kw9 n VAL 45 N 3.21 3.17 -0.04 -0.36 0.24 -1.26 -4.71 118.33 118.57 2kw9 n VAL 45 Ca 0.09 -2.18 -0.00 0.00 -2.04 0.00 0.00 64.34 60.21 2kw9 n VAL 45 Cb 0.42 -0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 31.80 2kw9 n VAL 45 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2kw9 h SER 46 N 1.47 0.00 -1.50 -1.34 0.02 -2.00 -3.49 113.55 106.71 2kw9 h SER 46 Ca 0.51 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.43 2kw9 h SER 46 Cb 1.45 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.00 2kw9 h SER 46 CO 1.18 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.91 2kw9 n GLY 47 N 1.81 -2.86 3.75 -3.77 0.00 -1.26 -5.03 105.19 97.83 2kw9 n GLY 47 Ca -0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 2kw9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kw9 s THR 48 N -1.14 1.85 0.16 2.61 -4.23 -1.26 -4.65 115.64 108.97 2kw9 s THR 48 Ca 0.06 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.34 2kw9 s THR 48 Cb -0.01 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 71.16 2kw9 s THR 48 CO 0.05 0.00 1.61 0.50 -0.54 0.00 0.00 174.62 176.24 2kw9 h LYS 49 N -1.98 -0.25 -0.69 3.99 3.64 -1.96 -0.08 116.57 119.24 2kw9 h LYS 49 Ca -0.47 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 2kw9 h LYS 49 Cb 1.29 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 2kw9 h LYS 49 CO 0.44 -0.17 0.44 1.15 -2.27 0.00 0.00 179.45 179.04 2kw9 h THR 50 N -0.26 1.13 -0.01 1.00 2.02 -1.99 -1.16 112.91 113.64 2kw9 h THR 50 Ca 0.15 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2kw9 h THR 50 Cb 0.50 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2kw9 h THR 50 CO -0.46 0.16 -0.28 -0.08 0.37 0.00 0.00 175.52 175.24 2kw9 h GLU 51 N 0.89 -0.40 -0.35 6.66 4.22 -1.65 -0.58 114.58 123.37 2kw9 h GLU 51 Ca 0.27 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.77 2kw9 h GLU 51 Cb -0.04 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2kw9 h GLU 51 CO -0.08 -0.27 0.13 -0.07 -2.18 0.00 0.00 179.01 176.53 2kw9 h LEU 52 N -0.42 0.15 -0.07 1.64 3.38 -0.72 0.16 115.31 119.43 2kw9 h LEU 52 Ca 0.06 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2kw9 h LEU 52 Cb 0.51 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2kw9 h LEU 52 CO -0.25 0.12 -0.19 0.40 0.09 0.00 0.00 178.44 178.62 2kw9 h ILE 53 N 0.28 0.53 0.00 1.22 2.04 -0.95 -1.59 117.51 119.04 2kw9 h ILE 53 Ca 0.16 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 2kw9 h ILE 53 Cb 0.12 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2kw9 h ILE 53 CO -0.15 0.00 -0.27 -0.33 0.00 0.00 0.00 178.15 177.40 2kw9 h GLU 54 N -0.27 0.00 -0.30 2.37 5.08 -0.80 -2.54 114.58 118.12 2kw9 h GLU 54 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2kw9 h GLU 54 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kw9 h GLU 54 CO -0.23 0.27 -0.31 -0.09 -1.00 0.00 0.00 179.01 177.64 2kw9 h ARG 55 N 0.00 0.64 -0.49 2.33 2.43 -0.20 0.11 114.38 119.21 2kw9 h ARG 55 Ca -0.00 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2kw9 h ARG 55 Cb 0.75 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2kw9 h ARG 55 CO 0.03 0.88 0.27 -0.07 -1.51 0.00 0.00 179.97 179.57 2kw9 h LEU 56 N 0.55 0.60 -0.63 3.80 3.38 -0.90 -0.53 115.31 121.58 2kw9 h LEU 56 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2kw9 h LEU 56 Cb 0.81 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2kw9 h LEU 56 CO 0.07 0.51 0.27 0.03 0.09 0.00 0.00 178.44 179.41 2kw9 h ARG 57 N 0.64 0.92 -0.86 1.13 3.08 -1.19 -1.60 114.38 116.52 2kw9 h ARG 57 Ca 0.17 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2kw9 h ARG 57 Cb 0.03 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2kw9 h ARG 57 CO -0.03 0.76 0.46 0.00 -1.07 0.00 0.00 179.97 180.10 2kw9 h ALA 58 N 1.11 1.20 -0.24 0.04 0.00 -0.59 0.89 119.26 121.67 2kw9 h ALA 58 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kw9 h ALA 58 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kw9 h ALA 58 CO -0.02 0.64 0.10 -0.92 0.00 0.00 0.00 179.25 179.05 2kw9 h TYR 59 N 1.20 0.35 -0.58 0.00 3.20 -0.84 -2.75 116.97 117.55 2kw9 h TYR 59 Ca 0.30 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.18 2kw9 h TYR 59 Cb 0.04 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2kw9 h TYR 59 CO 0.01 0.36 0.35 0.37 -1.64 0.00 0.00 178.16 177.60 2kw9 h GLN 60 N 0.24 0.66 -0.03 1.82 5.75 -0.94 -1.69 115.11 120.92 2kw9 h GLN 60 Ca 0.08 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2kw9 h GLN 60 Cb 0.15 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 2kw9 h GLN 60 CO -0.01 0.44 0.06 0.22 -2.65 0.00 0.00 178.83 176.88 2kw9 h ASP 61 N 0.68 0.00 0.00 -0.69 3.58 -0.64 0.34 116.42 119.69 2kw9 h ASP 61 Ca 0.24 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.53 2kw9 h ASP 61 Cb 0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2kw9 h ASP 61 CO -0.11 0.00 -0.98 1.56 -2.88 0.00 0.00 179.24 176.83 2kw9 h GLN 62 N 0.00 0.00 0.00 0.28 4.20 -1.11 -3.27 115.11 115.21 2kw9 h GLN 62 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2kw9 h GLN 62 Cb 0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2kw9 h GLN 62 CO -0.00 0.77 -0.10 -0.84 -0.67 0.00 0.00 178.83 177.99 2kw9 h ILE 63 N -1.00 0.24 -0.61 2.54 3.07 -1.05 -3.41 117.51 117.29 2kw9 h ILE 63 Ca -0.24 -0.88 0.05 0.00 1.55 0.00 0.00 64.86 65.33 2kw9 h ILE 63 Cb 1.08 1.72 -0.19 0.00 -0.27 0.00 0.00 36.82 39.17 2kw9 h ILE 63 CO -0.15 0.10 -0.27 -0.55 -1.05 0.00 0.00 178.15 176.24 2kw9 s SER 64 N -5.99 -0.95 0.00 2.16 0.15 0.12 -5.05 113.70 104.14 2kw9 s SER 64 Ca 0.02 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2kw9 s SER 64 Cb 0.09 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 2kw9 s SER 64 CO 0.61 -0.12 1.06 -0.81 1.20 0.00 0.00 173.24 175.18 2kw9 n PRO 65 N 4.28 0.83 -4.47 5.44 -0.04 -1.23 -4.23 135.00 135.57 2kw9 n PRO 65 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 2kw9 n PRO 65 Cb 0.59 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.87 2kw9 n PRO 65 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kw9 s VAL 66 N 0.22 2.27 0.00 0.52 -7.23 -1.26 -5.02 120.40 109.90 2kw9 s VAL 66 Ca 0.00 -2.31 0.00 0.00 -1.81 0.00 0.00 61.98 57.86 2kw9 s VAL 66 Cb 0.00 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2kw9 s VAL 66 CO 0.00 -0.37 0.48 -2.65 -0.31 0.00 0.00 175.10 172.26 2kw9 n PRO 67 N -0.63 0.47 -0.57 4.82 -0.02 -1.26 -4.61 135.00 133.20 2kw9 n PRO 67 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2kw9 n PRO 67 Cb 0.61 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 2kw9 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kw9 n GLY 68 N 0.80 0.24 3.48 -1.23 0.00 -1.26 -4.92 105.19 102.30 2kw9 n GLY 68 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 2kw9 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 s ALA 69 N -0.92 -1.55 0.12 4.61 0.00 -1.26 -4.83 121.76 117.93 2kw9 s ALA 69 Ca 0.00 1.34 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 2kw9 s ALA 69 Cb 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 2kw9 s ALA 69 CO 0.00 -0.33 1.73 -2.14 0.00 0.00 0.00 175.76 175.02 2kw9 s PRO 70 N -0.66 4.16 0.00 0.00 0.02 -1.26 -4.88 135.00 132.38 2kw9 s PRO 70 Ca -0.07 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2kw9 s PRO 70 Cb -0.02 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2kw9 s PRO 70 CO 0.06 -0.77 0.89 1.63 -0.33 0.00 0.00 177.00 178.48 2kw9 n LYS 71 N 5.19 0.87 -3.58 5.54 5.02 -1.26 -4.72 118.16 125.22 2kw9 n LYS 71 Ca 0.16 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 2kw9 n LYS 71 Cb 0.38 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 2kw9 n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kw9 s ALA 72 N 0.14 -1.85 -1.13 7.82 0.00 -1.26 -5.08 121.76 120.39 2kw9 s ALA 72 Ca 0.00 1.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.38 2kw9 s ALA 72 Cb 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 23.12 22.21 2kw9 s ALA 72 CO 0.00 -0.32 2.04 -2.14 0.00 0.00 0.00 175.76 175.34 2kw9 s PRO 73 N -0.50 1.76 0.10 0.00 0.02 -1.26 -4.77 135.00 130.35 2kw9 s PRO 73 Ca -0.03 -0.76 -0.06 0.00 0.02 0.00 0.00 61.00 60.17 2kw9 s PRO 73 Cb -0.02 -5.10 0.02 0.00 0.02 0.00 0.00 34.50 29.42 2kw9 s PRO 73 CO 0.03 -4.83 0.32 0.00 -0.33 0.00 0.00 177.00 172.18 2kw9 n ALA 74 N 17.33 -0.78 1.49 -1.55 0.00 -1.26 -5.24 120.51 130.50 2kw9 n ALA 74 Ca 0.43 -0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.62 2kw9 n ALA 74 Cb 0.47 0.26 0.52 0.00 0.00 0.00 0.00 19.45 20.70 2kw9 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50