#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 -0.32 -0.21 3.17 0.00 -1.26 -5.14 107.32 103.55 2kw9 s GLY 2 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.66 2kw9 s GLY 2 CO 0.00 -0.08 0.83 -1.58 0.00 0.00 0.00 173.10 172.26 2kw9 s HIS 3 N -3.23 3.35 -0.46 1.90 5.65 -1.26 -5.03 115.29 116.21 2kw9 s HIS 3 Ca -0.01 1.18 -0.13 0.00 0.25 0.00 0.00 55.06 56.35 2kw9 s HIS 3 Cb 0.01 -3.03 0.08 0.00 -1.18 0.00 0.00 32.58 28.46 2kw9 s HIS 3 CO -0.08 -0.33 0.36 -1.58 -0.65 0.00 0.00 174.74 172.46 2kw9 s HIS 4 N 2.56 3.29 -0.52 3.88 2.46 -1.26 -5.05 115.29 120.65 2kw9 s HIS 4 Ca 0.36 -1.23 -0.19 0.00 0.47 0.00 0.00 55.06 54.46 2kw9 s HIS 4 Cb -0.16 -3.20 0.06 0.00 -0.13 0.00 0.00 32.58 29.16 2kw9 s HIS 4 CO 0.09 -0.85 0.66 -1.58 -2.47 0.00 0.00 174.74 170.59 2kw9 s HIS 5 N 1.55 3.02 0.40 3.88 5.65 -1.26 -5.06 115.29 123.47 2kw9 s HIS 5 Ca 0.04 -0.56 -0.24 0.00 0.25 0.00 0.00 55.06 54.55 2kw9 s HIS 5 Cb -0.25 -3.63 -0.09 0.00 -1.18 0.00 0.00 32.58 27.43 2kw9 s HIS 5 CO 0.04 -1.09 1.03 -3.38 -0.65 0.00 0.00 174.74 170.70 2kw9 s HIS 6 N 2.73 3.29 0.10 3.88 0.00 -1.26 -5.06 115.29 118.98 2kw9 s HIS 6 Ca 0.16 1.65 -0.26 0.00 -3.00 0.00 0.00 55.06 53.61 2kw9 s HIS 6 Cb -0.19 -3.09 0.08 0.00 -4.00 0.00 0.00 32.58 25.37 2kw9 s HIS 6 CO 0.12 -0.53 0.82 -3.38 -1.00 0.00 0.00 174.74 170.76 2kw9 s HIS 7 N -1.70 -0.32 0.09 0.38 0.00 -1.26 -5.19 115.29 107.28 2kw9 s HIS 7 Ca 0.58 0.09 -0.06 0.00 -3.00 0.00 0.00 55.06 52.67 2kw9 s HIS 7 Cb -0.21 0.59 -0.02 0.00 -4.00 0.00 0.00 32.58 28.94 2kw9 s HIS 7 CO 0.26 -0.76 0.13 -3.38 -1.00 0.00 0.00 174.74 169.98 2kw9 s HIS 8 N -3.40 0.34 0.22 0.38 0.00 -1.26 -5.19 115.29 106.38 2kw9 s HIS 8 Ca 0.06 -0.79 0.04 0.00 -3.00 0.00 0.00 55.06 51.38 2kw9 s HIS 8 Cb -0.02 -0.19 -0.02 0.00 -4.00 0.00 0.00 32.58 28.36 2kw9 s HIS 8 CO -0.06 -0.51 0.21 -1.13 -1.00 0.00 0.00 174.74 172.25 2kw9 n SER 9 N -0.03 -0.53 -4.64 7.38 3.41 -1.26 -5.18 113.62 112.76 2kw9 n SER 9 Ca -0.13 -2.44 -0.23 0.00 -0.26 0.00 0.00 58.87 55.81 2kw9 n SER 9 Cb 0.62 1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 65.70 2kw9 n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2kw9 s HIS 10 N -3.00 2.66 -0.24 7.33 4.02 -1.26 -5.13 115.29 119.68 2kw9 s HIS 10 Ca 0.26 -0.26 -0.04 0.00 1.02 0.00 0.00 55.06 56.04 2kw9 s HIS 10 Cb 0.01 -1.25 0.09 0.00 -1.02 0.00 0.00 32.58 30.41 2kw9 s HIS 10 CO 0.18 0.59 0.15 1.41 1.02 0.00 0.00 174.74 178.09 2kw9 s MET 11 N -3.68 0.16 0.09 1.40 -2.45 -1.26 -5.14 119.30 108.42 2kw9 s MET 11 Ca 0.32 -0.25 -0.23 0.00 -1.25 0.00 0.00 55.69 54.28 2kw9 s MET 11 Cb -0.05 -1.33 -0.07 0.00 1.25 0.00 0.00 34.83 34.63 2kw9 s MET 11 CO 0.20 -0.86 0.70 -1.54 1.05 0.00 0.00 175.02 174.56 2kw9 s SER 12 N 2.17 7.21 0.15 1.11 1.04 -1.26 -5.08 113.70 119.03 2kw9 s SER 12 Ca 0.07 1.44 0.03 0.00 0.48 0.00 0.00 55.95 57.96 2kw9 s SER 12 Cb -0.16 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2kw9 s SER 12 CO -0.24 0.17 0.27 0.42 0.98 0.00 0.00 173.24 174.83 2kw9 s THR 13 N -0.77 5.24 0.60 2.02 -4.23 -1.26 -5.11 115.64 112.12 2kw9 s THR 13 Ca 0.34 -0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 2kw9 s THR 13 Cb -0.21 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.89 2kw9 s THR 13 CO 0.22 -0.09 1.02 -2.16 -0.54 0.00 0.00 174.62 173.08 2kw9 s PRO 14 N -3.20 3.67 0.86 3.99 0.04 -1.26 -5.08 135.00 134.03 2kw9 s PRO 14 Ca 0.34 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2kw9 s PRO 14 Cb -0.11 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.44 2kw9 s PRO 14 CO 0.28 -0.50 1.10 -0.48 0.04 0.00 0.00 177.00 177.44 2kw9 s LEU 15 N -4.95 2.32 -0.10 -3.56 2.34 -1.26 -5.10 118.68 108.38 2kw9 s LEU 15 Ca 0.56 1.26 -0.09 0.00 0.06 0.00 0.00 54.13 55.92 2kw9 s LEU 15 Cb -0.11 -3.74 0.03 0.00 -0.56 0.00 0.00 46.19 41.81 2kw9 s LEU 15 CO 0.49 -2.33 0.26 -0.89 -1.06 0.00 0.00 176.35 172.82 2kw9 s THR 16 N -3.12 -0.00 -0.55 5.48 2.01 -1.26 -5.12 115.64 113.08 2kw9 s THR 16 Ca 0.62 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 2kw9 s THR 16 Cb -0.16 -0.37 0.07 0.00 0.01 0.00 0.00 72.50 72.06 2kw9 s THR 16 CO 0.55 0.01 0.70 -0.83 -0.69 0.00 0.00 174.62 174.35 2kw9 s GLY 17 N 0.26 1.71 -0.14 4.40 0.00 -1.26 -5.02 107.32 107.26 2kw9 s GLY 17 Ca -0.01 -1.85 -0.33 0.00 0.00 0.00 0.00 44.72 42.53 2kw9 s GLY 17 CO -0.01 1.59 2.00 0.28 0.00 0.00 0.00 173.10 176.97 2kw9 n LYS 18 N 6.44 2.04 -2.92 2.90 5.02 -1.26 -4.95 118.16 125.43 2kw9 n LYS 18 Ca -0.07 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 56.52 2kw9 n LYS 18 Cb 0.45 -2.76 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 2kw9 n LYS 18 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kw9 s PRO 19 N 4.86 4.50 0.09 1.97 0.04 -1.26 -4.93 135.00 140.28 2kw9 s PRO 19 Ca 0.97 1.12 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2kw9 s PRO 19 Cb -0.63 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2kw9 s PRO 19 CO 0.48 0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.03 2kw9 n GLY 20 N 2.80 -0.08 3.17 0.56 0.00 -1.26 -5.00 105.19 105.37 2kw9 n GLY 20 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 1.70 0.43 4.61 0.00 -1.21 -3.08 121.76 122.21 2kw9 s ALA 21 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2kw9 s ALA 21 Cb 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 2kw9 s ALA 21 CO 0.00 0.31 0.98 -0.51 0.00 0.00 0.00 175.76 176.54 2kw9 s LEU 22 N 0.02 3.97 0.08 0.00 1.43 -1.26 -5.01 118.68 117.90 2kw9 s LEU 22 Ca -0.05 1.79 -0.31 0.00 -1.03 0.00 0.00 54.13 54.54 2kw9 s LEU 22 Cb -0.12 -4.47 -0.08 0.00 0.03 0.00 0.00 46.19 41.54 2kw9 s LEU 22 CO 0.03 -0.46 1.64 -2.84 0.23 0.00 0.00 176.35 174.95 2kw9 s PRO 23 N -3.04 4.20 0.61 1.29 0.02 -1.26 -4.90 135.00 131.93 2kw9 s PRO 23 Ca 0.62 2.33 0.31 0.00 0.02 0.00 0.00 61.00 64.28 2kw9 s PRO 23 Cb -0.13 -3.56 1.74 0.00 0.02 0.00 0.00 34.50 32.58 2kw9 s PRO 23 CO 0.17 -0.72 2.09 0.00 -0.33 0.00 0.00 177.00 178.21 2kw9 h ALA 24 N 8.18 1.65 -0.07 -1.55 0.00 -2.07 -2.19 119.26 123.21 2kw9 h ALA 24 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kw9 h ALA 24 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kw9 h ALA 24 CO 0.93 -0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.97 2kw9 n ASN 25 N -3.55 1.45 -0.20 0.00 4.13 -1.26 -4.31 115.26 111.52 2kw9 n ASN 25 Ca 0.01 -2.10 0.01 0.00 1.68 0.00 0.00 54.58 54.18 2kw9 n ASN 25 Cb 0.33 -0.48 0.10 0.00 -1.54 0.00 0.00 39.78 38.18 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 0.45 -0.18 -0.90 3.41 3.38 -1.79 0.10 115.31 119.79 2kw9 h LEU 26 Ca 0.00 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2kw9 h LEU 26 Cb 0.62 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2kw9 h LEU 26 CO 0.05 -0.07 -0.50 -2.24 0.09 0.00 0.00 178.44 175.76 2kw9 h ASP 27 N 0.16 0.00 1.37 -0.43 3.04 -1.89 -3.09 116.42 115.58 2kw9 h ASP 27 Ca 0.31 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 54.03 2kw9 h ASP 27 Cb 0.50 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.78 2kw9 h ASP 27 CO -0.48 0.50 -0.36 -0.78 -2.04 0.00 0.00 179.24 176.09 2kw9 h ASP 28 N 0.00 0.00 -3.51 4.15 3.58 -1.41 -3.46 116.42 115.77 2kw9 h ASP 28 Ca -0.01 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.08 2kw9 h ASP 28 Cb 0.97 0.00 0.15 0.00 1.72 0.00 0.00 39.33 42.17 2kw9 h ASP 28 CO 0.07 0.36 0.33 0.23 -2.88 0.00 0.00 179.24 177.35 2kw9 n MET 29 N -3.27 -1.26 -2.47 0.28 2.81 0.19 -5.08 117.12 108.33 2kw9 n MET 29 Ca 0.02 -1.71 -0.26 0.00 -1.81 0.00 0.00 57.70 53.94 2kw9 n MET 29 Cb 0.62 -1.18 0.03 0.00 -0.71 0.00 0.00 33.22 31.98 2kw9 n MET 29 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kw9 s LYS 30 N -5.42 2.88 0.18 0.03 1.02 -1.26 -5.00 119.74 112.17 2kw9 s LYS 30 Ca 0.63 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 56.40 2kw9 s LYS 30 Cb -0.02 -2.31 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 2kw9 s LYS 30 CO 0.45 -0.68 1.78 0.28 -0.92 0.00 0.00 175.35 176.26 2kw9 h VAL 31 N -0.12 1.22 -0.96 3.17 2.07 -1.97 -2.72 116.25 116.94 2kw9 h VAL 31 Ca -0.45 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 66.59 2kw9 h VAL 31 Cb 1.26 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2kw9 h VAL 31 CO 0.60 0.25 0.61 0.00 0.02 0.00 0.00 177.57 179.05 2kw9 h ALA 32 N 1.15 1.60 -0.15 1.67 0.00 -1.99 -1.39 119.26 120.14 2kw9 h ALA 32 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kw9 h ALA 32 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kw9 h ALA 32 CO -0.03 0.18 0.10 0.93 0.00 0.00 0.00 179.25 180.42 2kw9 h GLU 33 N 0.93 0.21 -0.34 0.00 4.39 -1.88 -0.90 114.58 116.98 2kw9 h GLU 33 Ca 0.47 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.17 2kw9 h GLU 33 Cb 0.50 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2kw9 h GLU 33 CO -0.23 0.15 0.19 -0.07 -1.16 0.00 0.00 179.01 177.89 2kw9 h LEU 34 N 0.20 0.29 -1.23 1.33 3.38 -1.30 0.63 115.31 118.61 2kw9 h LEU 34 Ca 0.06 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2kw9 h LEU 34 Cb -0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2kw9 h LEU 34 CO -0.01 0.21 0.54 0.11 0.09 0.00 0.00 178.44 179.38 2kw9 h LYS 35 N 0.38 0.93 -0.32 1.13 1.57 -1.11 -0.76 116.57 118.39 2kw9 h LYS 35 Ca 0.14 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2kw9 h LYS 35 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2kw9 h LYS 35 CO -0.08 0.61 -0.21 0.37 -0.57 0.00 0.00 179.45 179.58 2kw9 h GLN 36 N 0.96 0.72 -0.14 3.15 -0.00 -0.52 -2.72 115.11 116.54 2kw9 h GLN 36 Ca 0.34 -0.34 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 2kw9 h GLN 36 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 2kw9 h GLN 36 CO -0.12 0.95 0.10 0.93 0.00 0.00 0.00 178.83 180.69 2kw9 h GLU 37 N 0.48 0.00 0.15 1.69 4.39 -0.09 -3.04 114.58 118.17 2kw9 h GLU 37 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2kw9 h GLU 37 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2kw9 h GLU 37 CO 0.06 0.00 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.77 2kw9 h LEU 38 N 0.00 -0.17 -1.88 1.33 3.38 -0.95 -3.33 115.31 113.69 2kw9 h LEU 38 Ca 0.07 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.77 2kw9 h LEU 38 Cb 0.27 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2kw9 h LEU 38 CO -0.00 0.41 0.26 0.07 0.09 0.00 0.00 178.44 179.27 2kw9 h LYS 39 N -0.90 0.13 -0.57 1.13 2.10 -1.40 0.32 116.57 117.38 2kw9 h LYS 39 Ca -0.02 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2kw9 h LYS 39 Cb 0.51 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 2kw9 h LYS 39 CO 0.03 0.09 0.30 -0.07 -2.00 0.00 0.00 179.45 177.80 2kw9 h LEU 40 N 0.14 0.70 -3.48 7.07 3.38 -1.65 -3.01 115.31 118.46 2kw9 h LEU 40 Ca 0.18 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 2kw9 h LEU 40 Cb 0.52 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2kw9 h LEU 40 CO -0.02 0.58 0.10 0.54 0.09 0.00 0.00 178.44 179.73 2kw9 n ARG 41 N -4.38 2.32 -1.09 1.13 1.74 -0.07 -4.93 116.66 111.38 2kw9 n ARG 41 Ca 0.05 -3.08 -0.03 0.00 -0.77 0.00 0.00 57.85 54.02 2kw9 n ARG 41 Cb 0.11 -1.93 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 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 -0.91 -4.58 -4.85 0.55 2.88 -0.98 -4.99 113.62 100.74 2kw9 n SER 42 Ca 0.36 0.08 -0.34 0.00 -1.33 0.00 0.00 58.87 57.64 2kw9 n SER 42 Cb 1.16 -2.35 -0.06 0.00 -0.75 0.00 0.00 64.21 62.20 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 -0.69 4.18 0.00 2.46 1.43 -0.21 -4.96 118.68 120.89 2kw9 s LEU 43 Ca 0.00 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 2kw9 s LEU 43 Cb 0.00 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 2kw9 s LEU 43 CO 0.00 -0.08 1.40 -2.16 0.23 0.00 0.00 176.35 175.73 2kw9 s PRO 44 N -2.59 4.29 0.00 1.29 0.04 -1.26 -3.40 135.00 133.37 2kw9 s PRO 44 Ca 0.48 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2kw9 s PRO 44 Cb -0.12 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2kw9 s PRO 44 CO 0.19 -0.57 0.73 1.33 0.04 0.00 0.00 177.00 178.72 2kw9 n VAL 45 N 4.63 0.62 -4.96 -0.36 0.24 -1.26 -4.76 118.33 112.48 2kw9 n VAL 45 Ca 0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.14 2kw9 n VAL 45 Cb 0.44 -0.79 -0.17 0.00 -1.47 0.00 0.00 33.84 31.85 2kw9 n VAL 45 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kw9 s SER 46 N 0.70 2.54 0.00 -1.34 0.01 -1.26 -4.86 113.70 109.48 2kw9 s SER 46 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2kw9 s SER 46 Cb 0.00 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.11 2kw9 s SER 46 CO 0.00 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2kw9 n GLY 47 N 3.59 3.18 3.84 3.44 0.00 -1.26 -4.99 105.19 112.99 2kw9 n GLY 47 Ca -0.20 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 3.82 0.12 2.61 -4.23 -1.26 -4.78 115.64 109.92 2kw9 s THR 48 Ca 0.00 0.59 -0.27 0.00 -1.18 0.00 0.00 61.69 60.83 2kw9 s THR 48 Cb 0.00 -3.44 -0.08 0.00 1.34 0.00 0.00 72.50 70.32 2kw9 s THR 48 CO 0.00 -0.77 1.46 0.50 -0.54 0.00 0.00 174.62 175.27 2kw9 h LYS 49 N -0.72 -0.24 -0.55 3.99 1.63 -2.00 -0.49 116.57 118.20 2kw9 h LYS 49 Ca -0.45 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.42 2kw9 h LYS 49 Cb 1.23 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.86 2kw9 h LYS 49 CO 0.60 -0.16 0.27 1.15 -3.45 0.00 0.00 179.45 177.86 2kw9 h THR 50 N -0.25 0.93 -0.56 1.00 2.02 -1.99 -2.44 112.91 111.63 2kw9 h THR 50 Ca 0.08 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2kw9 h THR 50 Cb 0.46 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2kw9 h THR 50 CO -0.58 0.09 0.01 -0.33 0.37 0.00 0.00 175.52 175.08 2kw9 h GLU 51 N 0.51 0.98 -0.66 6.66 5.08 -1.78 -2.19 114.58 123.19 2kw9 h GLU 51 Ca 0.25 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kw9 h GLU 51 Cb 0.18 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2kw9 h GLU 51 CO -0.19 0.98 0.29 -0.07 -1.00 0.00 0.00 179.01 179.03 2kw9 h LEU 52 N 0.87 0.89 0.33 1.33 3.38 -0.84 0.31 115.31 121.59 2kw9 h LEU 52 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kw9 h LEU 52 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kw9 h LEU 52 CO 0.03 0.80 -0.25 0.40 0.09 0.00 0.00 178.44 179.51 2kw9 h ILE 53 N 0.93 0.48 0.00 1.22 2.04 -1.28 -1.13 117.51 119.77 2kw9 h ILE 53 Ca 0.22 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.05 2kw9 h ILE 53 Cb 0.16 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2kw9 h ILE 53 CO -0.02 0.00 -0.17 -0.33 0.00 0.00 0.00 178.15 177.63 2kw9 h GLU 54 N -0.57 0.00 -0.23 2.37 4.39 -1.26 -1.84 114.58 117.43 2kw9 h GLU 54 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2kw9 h GLU 54 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2kw9 h GLU 54 CO -0.00 0.17 -0.04 -0.09 -1.16 0.00 0.00 179.01 177.89 2kw9 h ARG 55 N 0.00 0.44 -0.13 2.33 2.43 0.04 0.24 114.38 119.73 2kw9 h ARG 55 Ca -0.00 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2kw9 h ARG 55 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2kw9 h ARG 55 CO 0.02 0.66 0.08 -0.07 -1.51 0.00 0.00 179.97 179.15 2kw9 h LEU 56 N 0.19 0.16 -1.04 3.80 3.38 -0.86 0.09 115.31 121.03 2kw9 h LEU 56 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2kw9 h LEU 56 Cb 0.48 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kw9 h LEU 56 CO 0.02 0.15 0.35 0.03 0.09 0.00 0.00 178.44 179.08 2kw9 h ARG 57 N 0.15 1.03 -0.59 1.13 3.08 -1.31 -1.85 114.38 116.02 2kw9 h ARG 57 Ca 0.05 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2kw9 h ARG 57 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2kw9 h ARG 57 CO -0.01 0.79 0.01 0.00 -1.07 0.00 0.00 179.97 179.69 2kw9 h ALA 58 N 1.36 0.79 -0.21 0.04 0.00 -0.31 -0.04 119.26 120.90 2kw9 h ALA 58 Ca 0.25 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kw9 h ALA 58 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kw9 h ALA 58 CO -0.03 0.62 0.09 -0.92 0.00 0.00 0.00 179.25 179.01 2kw9 h TYR 59 N 0.93 0.17 -0.59 0.00 3.20 -0.56 -0.41 116.97 119.71 2kw9 h TYR 59 Ca 0.17 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2kw9 h TYR 59 Cb 0.54 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2kw9 h TYR 59 CO 0.04 0.10 0.23 1.96 -1.64 0.00 0.00 178.16 178.85 2kw9 h GLN 60 N 0.21 0.89 -0.36 1.82 1.08 -1.26 -2.67 115.11 114.82 2kw9 h GLN 60 Ca 0.08 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2kw9 h GLN 60 Cb 0.03 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 2kw9 h GLN 60 CO -0.07 0.77 0.12 0.22 -0.95 0.00 0.00 178.83 178.92 2kw9 h ASP 61 N 0.83 0.12 0.36 1.46 3.58 -0.60 0.12 116.42 122.29 2kw9 h ASP 61 Ca 0.20 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 2kw9 h ASP 61 Cb 0.22 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2kw9 h ASP 61 CO -0.01 0.11 -0.45 0.06 -2.88 0.00 0.00 179.24 176.06 2kw9 h GLN 62 N 0.27 0.12 -0.31 0.28 3.07 -1.03 -2.67 115.11 114.83 2kw9 h GLN 62 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2kw9 h GLN 62 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2kw9 h GLN 62 CO -0.17 0.55 0.00 0.44 0.09 0.00 0.00 178.83 179.74 2kw9 n ILE 63 N -3.99 0.40 -1.74 1.86 -5.35 -1.01 -5.03 119.36 104.50 2kw9 n ILE 63 Ca -0.02 -0.58 -0.01 0.00 -0.27 0.00 0.00 62.75 61.87 2kw9 n ILE 63 Cb 0.49 0.70 -0.01 0.00 -1.74 0.00 0.00 39.64 39.08 2kw9 n ILE 63 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2kw9 n SER 64 N 1.00 -3.26 -4.61 7.28 2.88 0.35 -4.91 113.62 112.35 2kw9 n SER 64 Ca 0.18 0.66 -0.43 0.00 -1.33 0.00 0.00 58.87 57.95 2kw9 n SER 64 Cb 0.48 -2.73 -0.03 0.00 -0.75 0.00 0.00 64.21 61.19 2kw9 n SER 64 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2kw9 s PRO 65 N -1.17 3.56 -0.16 -1.46 0.02 -0.85 -4.91 135.00 130.04 2kw9 s PRO 65 Ca -0.06 1.58 -0.07 0.00 0.02 0.00 0.00 61.00 62.48 2kw9 s PRO 65 Cb 0.00 -4.13 -0.04 0.00 0.02 0.00 0.00 34.50 30.36 2kw9 s PRO 65 CO 0.16 -1.58 0.06 0.14 -0.33 0.00 0.00 177.00 175.45 2kw9 s VAL 66 N 6.08 4.83 -2.00 3.83 -7.23 -1.18 -4.98 120.40 119.75 2kw9 s VAL 66 Ca 0.77 -0.03 0.27 0.00 -1.81 0.00 0.00 61.98 61.18 2kw9 s VAL 66 Cb -0.24 -3.15 0.78 0.00 0.56 0.00 0.00 36.38 34.33 2kw9 s VAL 66 CO 0.32 0.50 1.99 -0.81 -0.31 0.00 0.00 175.10 176.79 2kw9 n PRO 67 N 3.18 0.88 0.00 4.82 -0.04 -1.26 -3.31 135.00 139.27 2kw9 n PRO 67 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2kw9 n PRO 67 Cb 0.53 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2kw9 n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kw9 n GLY 68 N 0.75 1.21 0.87 0.55 0.00 -1.26 -4.93 105.19 102.38 2kw9 n GLY 68 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2kw9 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 n ALA 69 N 0.00 -2.18 0.50 4.61 0.00 -1.26 -4.27 120.51 117.91 2kw9 n ALA 69 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2kw9 n ALA 69 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2kw9 n ALA 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kw9 n PRO 70 N -3.28 0.52 -2.58 0.00 -0.04 -1.26 -4.69 135.00 123.66 2kw9 n PRO 70 Ca -0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 2kw9 n PRO 70 Cb 0.40 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.61 2kw9 n PRO 70 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kw9 s LYS 71 N 0.49 3.91 -0.39 0.54 1.02 -1.26 -4.95 119.74 119.09 2kw9 s LYS 71 Ca 0.00 -1.82 -0.11 0.00 0.02 0.00 0.00 55.97 54.06 2kw9 s LYS 71 Cb 0.00 -5.49 0.05 0.00 -0.52 0.00 0.00 37.83 31.86 2kw9 s LYS 71 CO 0.00 -2.24 0.23 0.00 -0.92 0.00 0.00 175.35 172.42 2kw9 s ALA 72 N 4.35 3.29 -1.71 5.17 0.00 -1.26 -4.94 121.76 126.66 2kw9 s ALA 72 Ca 0.52 -1.88 0.07 0.00 0.00 0.00 0.00 51.96 50.67 2kw9 s ALA 72 Cb 0.03 -2.63 0.22 0.00 0.00 0.00 0.00 23.12 20.74 2kw9 s ALA 72 CO 0.04 -1.49 1.11 -0.35 0.00 0.00 0.00 175.76 175.06 2kw9 n PRO 73 N 4.98 1.70 -0.54 0.00 -0.04 -1.26 -4.91 135.00 134.94 2kw9 n PRO 73 Ca -0.11 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2kw9 n PRO 73 Cb 0.45 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2kw9 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kw9 n ALA 74 N 0.19 0.00 -1.69 0.55 0.00 -1.26 -5.37 120.51 112.92 2kw9 n ALA 74 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kw9 n ALA 74 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2kw9 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50