#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw9 n GLY 2 N 0.00 1.56 3.33 3.03 0.00 -1.26 -5.08 105.19 106.77 2kw9 n GLY 2 Ca 0.00 -1.00 -0.47 0.00 0.00 0.00 0.00 46.02 44.56 2kw9 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kw9 s HIS 3 N -2.00 3.77 -0.89 1.61 4.02 -1.26 -5.00 115.29 115.54 2kw9 s HIS 3 Ca 0.00 -2.00 -0.16 0.00 1.02 0.00 0.00 55.06 53.91 2kw9 s HIS 3 Cb 0.00 -3.83 0.18 0.00 -1.02 0.00 0.00 32.58 27.91 2kw9 s HIS 3 CO 0.00 -1.00 0.97 -3.38 1.02 0.00 0.00 174.74 172.35 2kw9 s HIS 4 N 0.16 3.45 -2.58 1.40 0.00 -1.26 -4.83 115.29 111.63 2kw9 s HIS 4 Ca 0.19 -1.71 0.25 0.00 -3.00 0.00 0.00 55.06 50.79 2kw9 s HIS 4 Cb -0.10 -4.06 0.74 0.00 -4.00 0.00 0.00 32.58 25.16 2kw9 s HIS 4 CO -0.09 -1.25 1.57 -2.39 -1.00 0.00 0.00 174.74 171.58 2kw9 n HIS 5 N 5.27 0.08 -0.82 0.38 -0.00 -1.26 -5.07 115.22 113.81 2kw9 n HIS 5 Ca 0.20 -0.04 0.10 0.00 -0.00 0.00 0.00 57.72 57.98 2kw9 n HIS 5 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.42 2kw9 n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kw9 n HIS 6 N 0.58 -2.19 -3.00 -1.40 -0.00 -1.26 -4.98 115.22 102.98 2kw9 n HIS 6 Ca 0.17 1.20 -0.21 0.00 -0.00 0.00 0.00 57.72 58.88 2kw9 n HIS 6 Cb 0.43 -1.99 0.01 0.00 -0.00 0.00 0.00 29.99 28.44 2kw9 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kw9 s HIS 7 N -3.59 3.08 -0.62 1.57 4.02 -1.26 -5.08 115.29 113.41 2kw9 s HIS 7 Ca 0.00 0.03 0.05 0.00 1.02 0.00 0.00 55.06 56.16 2kw9 s HIS 7 Cb 0.00 -2.36 0.18 0.00 -1.02 0.00 0.00 32.58 29.38 2kw9 s HIS 7 CO 0.00 -0.42 0.50 0.72 1.02 0.00 0.00 174.74 176.56 2kw9 n HIS 8 N -2.03 2.20 -2.72 1.40 -0.00 -1.26 -5.08 115.22 107.72 2kw9 n HIS 8 Ca 0.03 -4.03 -0.43 0.00 -0.00 0.00 0.00 57.72 53.29 2kw9 n HIS 8 Cb 0.58 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.99 30.14 2kw9 n HIS 8 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2kw9 s SER 9 N -1.25 6.81 -0.08 0.41 1.04 -1.26 -5.01 113.70 114.37 2kw9 s SER 9 Ca 0.29 0.84 -0.30 0.00 0.48 0.00 0.00 55.95 57.27 2kw9 s SER 9 Cb 0.01 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 2kw9 s SER 9 CO -0.15 -0.87 1.14 -1.00 0.98 0.00 0.00 173.24 173.34 2kw9 s HIS 10 N 3.58 3.27 0.02 5.02 4.02 -1.26 -5.03 115.29 124.90 2kw9 s HIS 10 Ca 0.42 1.32 -0.00 0.00 1.02 0.00 0.00 55.06 57.82 2kw9 s HIS 10 Cb -0.12 -3.36 -0.02 0.00 -1.02 0.00 0.00 32.58 28.07 2kw9 s HIS 10 CO 0.17 -1.00 -0.02 0.00 1.02 0.00 0.00 174.74 174.91 2kw9 s MET 11 N 2.26 0.30 0.35 1.40 0.00 -1.26 -5.17 119.30 117.18 2kw9 s MET 11 Ca 0.53 -0.57 -0.01 0.00 0.00 0.00 0.00 55.69 55.65 2kw9 s MET 11 Cb -0.22 0.11 -0.00 0.00 0.00 0.00 0.00 34.83 34.71 2kw9 s MET 11 CO 0.20 -0.05 0.45 -1.54 0.00 0.00 0.00 175.02 174.08 2kw9 s SER 12 N -1.39 1.10 0.14 -1.18 1.04 -1.26 -5.17 113.70 106.98 2kw9 s SER 12 Ca -0.15 -1.56 -0.07 0.00 0.48 0.00 0.00 55.95 54.66 2kw9 s SER 12 Cb -0.09 0.66 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 2kw9 s SER 12 CO -0.01 -1.28 0.40 0.42 0.98 0.00 0.00 173.24 173.76 2kw9 s THR 13 N -3.05 5.12 0.16 2.02 -4.23 -1.26 -5.08 115.64 109.32 2kw9 s THR 13 Ca 0.32 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.72 2kw9 s THR 13 Cb -0.00 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 2kw9 s THR 13 CO 0.22 0.09 1.25 -2.16 -0.54 0.00 0.00 174.62 173.48 2kw9 s PRO 14 N -2.49 4.43 0.46 3.99 0.04 -1.26 -5.05 135.00 135.12 2kw9 s PRO 14 Ca 0.40 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.43 2kw9 s PRO 14 Cb -0.12 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.19 2kw9 s PRO 14 CO 0.22 -0.21 0.63 -0.51 0.04 0.00 0.00 177.00 177.17 2kw9 s LEU 15 N 0.23 3.54 0.05 -3.56 1.43 -1.26 -5.14 118.68 113.97 2kw9 s LEU 15 Ca 0.57 -0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 2kw9 s LEU 15 Cb -0.34 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.28 2kw9 s LEU 15 CO 0.35 -0.88 0.52 0.28 0.23 0.00 0.00 176.35 176.85 2kw9 s THR 16 N -2.46 0.03 -0.02 5.49 -1.32 -1.26 -5.07 115.64 111.03 2kw9 s THR 16 Ca 0.56 -0.24 0.21 0.00 -1.21 0.00 0.00 61.69 61.01 2kw9 s THR 16 Cb -0.10 -0.98 0.36 0.00 -1.51 0.00 0.00 72.50 70.27 2kw9 s THR 16 CO 0.35 -0.13 1.15 0.61 -2.21 0.00 0.00 174.62 174.38 2kw9 n GLY 17 N 0.35 1.27 3.48 6.08 0.00 -1.26 -5.09 105.19 110.02 2kw9 n GLY 17 Ca -0.18 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 2kw9 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kw9 s LYS 18 N -0.27 2.64 0.65 1.61 1.02 -1.26 -5.14 119.74 118.99 2kw9 s LYS 18 Ca 0.29 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.53 2kw9 s LYS 18 Cb 0.33 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2kw9 s LYS 18 CO -0.13 0.58 0.99 -1.25 -0.92 0.00 0.00 175.35 174.61 2kw9 s PRO 19 N -0.61 2.74 -0.48 -1.68 0.04 -1.26 -5.09 135.00 128.67 2kw9 s PRO 19 Ca 0.09 0.08 0.06 0.00 0.04 0.00 0.00 61.00 61.27 2kw9 s PRO 19 Cb -0.11 -2.17 0.19 0.00 0.04 0.00 0.00 34.50 32.45 2kw9 s PRO 19 CO 0.01 -0.92 0.62 0.41 0.04 0.00 0.00 177.00 177.16 2kw9 n GLY 20 N -2.79 0.48 2.82 0.56 0.00 -1.26 -5.13 105.19 99.87 2kw9 n GLY 20 Ca 0.06 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 0.50 0.06 0.48 4.61 0.00 -1.26 -4.94 121.76 121.20 2kw9 s ALA 21 Ca 0.31 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 2kw9 s ALA 21 Cb 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 2kw9 s ALA 21 CO -0.12 -0.06 0.96 -0.51 0.00 0.00 0.00 175.76 176.03 2kw9 s LEU 22 N 0.58 3.73 -0.23 0.00 1.43 -1.26 -5.01 118.68 117.92 2kw9 s LEU 22 Ca -0.05 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.34 2kw9 s LEU 22 Cb -0.07 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 2kw9 s LEU 22 CO -0.02 -0.50 1.68 -2.84 0.23 0.00 0.00 176.35 174.90 2kw9 s PRO 23 N -3.78 3.72 0.53 1.29 0.02 -1.26 -4.89 135.00 130.63 2kw9 s PRO 23 Ca 0.59 1.68 0.37 0.00 0.02 0.00 0.00 61.00 63.66 2kw9 s PRO 23 Cb -0.10 -4.07 1.54 0.00 0.02 0.00 0.00 34.50 31.89 2kw9 s PRO 23 CO 0.26 -1.39 1.77 0.00 -0.33 0.00 0.00 177.00 177.31 2kw9 h ALA 24 N 11.17 3.14 -0.12 -1.55 0.00 -2.08 -1.08 119.26 128.75 2kw9 h ALA 24 Ca -0.35 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2kw9 h ALA 24 Cb 1.16 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2kw9 h ALA 24 CO 1.00 -1.52 0.09 0.09 0.00 0.00 0.00 179.25 178.91 2kw9 n ASN 25 N -4.20 4.06 0.02 0.00 4.13 -1.26 -4.55 115.26 113.46 2kw9 n ASN 25 Ca 0.28 -2.34 -0.12 0.00 1.68 0.00 0.00 54.58 54.08 2kw9 n ASN 25 Cb 1.32 -0.76 -0.06 0.00 -1.54 0.00 0.00 39.78 38.74 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 1.72 -1.25 -2.12 3.41 3.38 -1.58 -1.23 115.31 117.64 2kw9 h LEU 26 Ca 0.07 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2kw9 h LEU 26 Cb 1.13 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 2kw9 h LEU 26 CO 0.15 -0.43 -0.06 -0.78 0.09 0.00 0.00 178.44 177.42 2kw9 h ASP 27 N -0.50 0.00 0.39 -0.43 3.58 -1.89 -2.21 116.42 115.36 2kw9 h ASP 27 Ca 0.07 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.33 2kw9 h ASP 27 Cb 0.62 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2kw9 h ASP 27 CO -0.36 0.06 -0.80 -0.78 -2.88 0.00 0.00 179.24 174.47 2kw9 h ASP 28 N 0.00 0.39 -4.10 2.28 3.58 -1.60 -3.45 116.42 113.52 2kw9 h ASP 28 Ca -0.00 -0.28 -0.48 0.00 0.42 0.00 0.00 57.03 56.69 2kw9 h ASP 28 Cb 0.27 -0.12 0.04 0.00 1.72 0.00 0.00 39.33 41.25 2kw9 h ASP 28 CO 0.01 1.04 0.39 -0.04 -2.88 0.00 0.00 179.24 177.76 2kw9 s MET 29 N -3.44 3.62 0.64 0.28 -1.94 -0.74 -5.02 119.30 112.71 2kw9 s MET 29 Ca -0.05 1.37 -0.16 0.00 -1.71 0.00 0.00 55.69 55.15 2kw9 s MET 29 Cb 0.10 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.86 2kw9 s MET 29 CO 0.84 -0.58 1.12 0.15 -0.01 0.00 0.00 175.02 176.54 2kw9 s LYS 30 N -3.41 2.87 0.27 2.03 1.02 -1.26 -4.76 119.74 116.50 2kw9 s LYS 30 Ca 0.67 1.47 0.01 0.00 0.02 0.00 0.00 55.97 58.15 2kw9 s LYS 30 Cb -0.18 -1.95 0.63 0.00 -0.52 0.00 0.00 37.83 35.81 2kw9 s LYS 30 CO 0.24 -1.21 1.71 0.28 -0.92 0.00 0.00 175.35 175.46 2kw9 h VAL 31 N 0.28 0.53 -0.62 3.17 2.07 -1.95 0.14 116.25 119.86 2kw9 h VAL 31 Ca -0.48 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kw9 h VAL 31 Cb 1.25 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2kw9 h VAL 31 CO 0.54 0.08 0.39 0.00 0.02 0.00 0.00 177.57 178.60 2kw9 h ALA 32 N 1.66 0.81 -0.50 1.67 0.00 -1.98 0.34 119.26 121.25 2kw9 h ALA 32 Ca 0.51 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2kw9 h ALA 32 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kw9 h ALA 32 CO -0.49 0.15 0.11 0.93 0.00 0.00 0.00 179.25 179.95 2kw9 h GLU 33 N 0.78 0.76 -0.40 0.00 5.08 -1.14 0.17 114.58 119.82 2kw9 h GLU 33 Ca 0.25 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2kw9 h GLU 33 Cb -0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2kw9 h GLU 33 CO -0.09 0.69 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.26 2kw9 h LEU 34 N 0.73 0.94 -1.36 1.33 3.38 -0.72 -1.54 115.31 118.07 2kw9 h LEU 34 Ca 0.16 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2kw9 h LEU 34 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kw9 h LEU 34 CO -0.00 1.17 -0.31 0.11 0.09 0.00 0.00 178.44 179.50 2kw9 h LYS 35 N 0.71 0.00 -0.42 1.13 1.57 -0.55 -2.35 116.57 116.66 2kw9 h LYS 35 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2kw9 h LYS 35 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 2kw9 h LYS 35 CO 0.08 0.31 0.10 0.37 -0.57 0.00 0.00 179.45 179.73 2kw9 h GLN 36 N 0.00 0.67 -0.95 3.15 5.75 -0.40 -1.18 115.11 122.16 2kw9 h GLN 36 Ca -0.00 -0.17 0.14 0.00 -0.15 0.00 0.00 58.65 58.47 2kw9 h GLN 36 Cb 0.61 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.99 2kw9 h GLN 36 CO 0.04 0.69 0.56 0.93 -2.65 0.00 0.00 178.83 178.40 2kw9 h GLU 37 N 0.54 0.80 0.36 1.69 4.39 -0.78 -1.94 114.58 119.65 2kw9 h GLU 37 Ca 0.13 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2kw9 h GLU 37 Cb 0.32 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2kw9 h GLU 37 CO 0.00 0.53 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.14 2kw9 h LEU 38 N 0.83 -0.41 -1.10 1.33 3.38 -1.18 -3.31 115.31 114.84 2kw9 h LEU 38 Ca 0.50 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.37 2kw9 h LEU 38 Cb 0.62 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2kw9 h LEU 38 CO -0.32 0.04 0.61 0.07 0.09 0.00 0.00 178.44 178.93 2kw9 h LYS 39 N -1.01 1.19 0.00 1.13 2.10 -1.11 0.64 116.57 119.50 2kw9 h LYS 39 Ca -0.05 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2kw9 h LYS 39 Cb 0.50 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2kw9 h LYS 39 CO 0.08 0.79 0.00 1.28 -2.00 0.00 0.00 179.45 179.60 2kw9 n LEU 40 N -4.41 0.47 -0.53 7.07 4.77 -0.74 -1.91 117.00 121.72 2kw9 n LEU 40 Ca 0.11 0.67 0.06 0.00 -0.03 0.00 0.00 56.01 56.82 2kw9 n LEU 40 Cb 0.05 -0.66 0.14 0.00 -2.33 0.00 0.00 43.42 40.61 2kw9 n LEU 40 CO 0.36 -0.68 0.38 0.54 -1.33 0.00 0.00 177.39 176.66 2kw9 n ARG 41 N -2.07 1.10 -2.59 3.23 1.74 -0.27 -5.00 116.66 112.81 2kw9 n ARG 41 Ca 0.01 -2.64 -0.18 0.00 -0.77 0.00 0.00 57.85 54.26 2kw9 n ARG 41 Cb 0.11 -1.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 2kw9 n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kw9 n SER 42 N -0.89 -5.21 -4.79 0.55 7.64 -0.80 -5.02 113.62 105.10 2kw9 n SER 42 Ca 0.14 -0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2kw9 n SER 42 Cb 0.74 -4.18 -0.07 0.00 -1.01 0.00 0.00 64.21 59.69 2kw9 n SER 42 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kw9 s LEU 43 N -5.27 3.94 0.28 -3.43 1.43 0.06 -4.99 118.68 110.70 2kw9 s LEU 43 Ca 0.12 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 2kw9 s LEU 43 Cb -0.05 -2.30 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 2kw9 s LEU 43 CO 0.15 0.27 1.52 -2.84 0.23 0.00 0.00 176.35 175.68 2kw9 s PRO 44 N -1.74 4.18 -0.04 1.29 0.02 -1.26 -3.70 135.00 133.74 2kw9 s PRO 44 Ca 0.23 2.47 0.13 0.00 0.02 0.00 0.00 61.00 63.85 2kw9 s PRO 44 Cb -0.12 -3.05 0.40 0.00 0.02 0.00 0.00 34.50 31.75 2kw9 s PRO 44 CO 0.14 -0.54 1.33 1.33 -0.33 0.00 0.00 177.00 178.94 2kw9 n VAL 45 N 2.07 1.29 1.97 3.83 0.24 -1.26 -4.65 118.33 121.81 2kw9 n VAL 45 Ca 0.07 -1.17 0.01 0.00 -2.04 0.00 0.00 64.34 61.21 2kw9 n VAL 45 Cb 0.39 0.34 0.08 0.00 -1.47 0.00 0.00 33.84 33.17 2kw9 n VAL 45 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kw9 n SER 46 N 0.45 0.00 -4.89 -1.34 7.64 -1.26 -4.85 113.62 109.37 2kw9 n SER 46 Ca 0.15 -1.89 -0.21 0.00 1.01 0.00 0.00 58.87 57.94 2kw9 n SER 46 Cb 0.55 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 2kw9 n SER 46 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kw9 s GLY 47 N -1.10 2.12 0.90 0.23 0.00 -1.26 -5.13 107.32 103.08 2kw9 s GLY 47 Ca 0.04 -1.84 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 2kw9 s GLY 47 CO 0.03 -1.70 1.24 -0.51 0.00 0.00 0.00 173.10 172.16 2kw9 s THR 48 N -2.49 2.03 0.25 0.90 -4.23 -1.26 -4.69 115.64 106.16 2kw9 s THR 48 Ca 0.48 -0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 2kw9 s THR 48 Cb -0.04 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.21 2kw9 s THR 48 CO 0.28 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.50 2kw9 h LYS 49 N -1.35 0.13 -0.40 3.99 3.64 -2.00 0.11 116.57 120.69 2kw9 h LYS 49 Ca -0.42 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2kw9 h LYS 49 Cb 1.24 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2kw9 h LYS 49 CO 0.38 0.08 0.10 1.15 -2.27 0.00 0.00 179.45 178.90 2kw9 h THR 50 N 0.13 1.22 -0.64 1.00 2.02 -2.01 -2.83 112.91 111.81 2kw9 h THR 50 Ca 0.44 -0.76 0.07 0.00 0.77 0.00 0.00 66.41 66.92 2kw9 h THR 50 Cb 0.79 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 2kw9 h THR 50 CO -0.65 0.27 0.32 -0.33 0.37 0.00 0.00 175.52 175.49 2kw9 h GLU 51 N 0.50 0.56 0.05 6.66 4.39 -1.22 -2.20 114.58 123.32 2kw9 h GLU 51 Ca 0.13 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2kw9 h GLU 51 Cb 0.30 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2kw9 h GLU 51 CO -0.00 0.37 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.04 2kw9 h LEU 52 N 0.58 -0.32 0.25 1.33 3.38 -0.85 0.06 115.31 119.74 2kw9 h LEU 52 Ca 0.30 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2kw9 h LEU 52 Cb 0.26 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kw9 h LEU 52 CO -0.22 -0.17 -0.12 0.40 0.09 0.00 0.00 178.44 178.41 2kw9 h ILE 53 N -0.22 0.76 -0.39 1.22 2.04 -1.35 -1.97 117.51 117.60 2kw9 h ILE 53 Ca 0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2kw9 h ILE 53 Cb 0.25 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2kw9 h ILE 53 CO -0.08 0.01 0.22 -0.33 0.00 0.00 0.00 178.15 177.96 2kw9 h GLU 54 N -0.36 0.52 -0.50 2.37 5.08 -1.31 -0.42 114.58 119.95 2kw9 h GLU 54 Ca -0.03 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2kw9 h GLU 54 Cb 0.28 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kw9 h GLU 54 CO 0.06 0.38 0.11 -0.09 -1.00 0.00 0.00 179.01 178.47 2kw9 h ARG 55 N 0.53 0.81 -0.36 2.33 2.43 -0.77 -0.29 114.38 119.07 2kw9 h ARG 55 Ca 0.14 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2kw9 h ARG 55 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2kw9 h ARG 55 CO -0.02 0.79 0.20 -0.07 -1.51 0.00 0.00 179.97 179.36 2kw9 h LEU 56 N 0.70 0.44 -1.35 3.80 3.38 -0.57 -1.76 115.31 119.95 2kw9 h LEU 56 Ca 0.16 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kw9 h LEU 56 Cb 0.36 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2kw9 h LEU 56 CO 0.00 0.39 0.35 0.03 0.09 0.00 0.00 178.44 179.31 2kw9 h ARG 57 N 0.45 0.79 -0.47 1.13 3.08 -0.85 -0.17 114.38 118.35 2kw9 h ARG 57 Ca 0.13 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2kw9 h ARG 57 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2kw9 h ARG 57 CO -0.02 0.56 -0.19 0.00 -1.07 0.00 0.00 179.97 179.25 2kw9 h ALA 58 N 1.58 0.78 -0.43 0.04 0.00 -0.85 0.07 119.26 120.45 2kw9 h ALA 58 Ca 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2kw9 h ALA 58 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kw9 h ALA 58 CO -0.04 0.66 0.19 -0.92 0.00 0.00 0.00 179.25 179.14 2kw9 h TYR 59 N 0.81 0.64 -0.29 0.00 3.20 -0.48 -3.09 116.97 117.76 2kw9 h TYR 59 Ca 0.11 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2kw9 h TYR 59 Cb 0.74 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2kw9 h TYR 59 CO 0.05 0.53 0.05 1.96 -1.64 0.00 0.00 178.16 179.11 2kw9 h GLN 60 N 0.56 0.48 -1.04 1.82 1.08 -0.98 -3.12 115.11 113.91 2kw9 h GLN 60 Ca 0.15 -0.13 0.29 0.00 -1.45 0.00 0.00 58.65 57.50 2kw9 h GLN 60 Cb 0.15 -0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 27.40 2kw9 h GLN 60 CO -0.02 0.58 0.63 0.22 -0.95 0.00 0.00 178.83 179.29 2kw9 h ASP 61 N 0.29 0.55 0.84 1.46 3.58 -0.90 0.17 116.42 122.42 2kw9 h ASP 61 Ca 0.09 0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.49 2kw9 h ASP 61 Cb 0.34 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2kw9 h ASP 61 CO 0.01 0.01 -1.25 0.06 -2.88 0.00 0.00 179.24 175.19 2kw9 h GLN 62 N 0.43 0.00 0.00 0.28 3.07 -1.54 -3.37 115.11 113.99 2kw9 h GLN 62 Ca 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.40 2kw9 h GLN 62 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.07 2kw9 h GLN 62 CO -0.46 0.45 -1.72 0.44 0.09 0.00 0.00 178.83 177.63 2kw9 n ILE 63 N -3.04 0.22 -2.29 1.86 -5.35 -0.56 -4.80 119.36 105.40 2kw9 n ILE 63 Ca -0.08 -0.52 -0.40 0.00 -0.27 0.00 0.00 62.75 61.48 2kw9 n ILE 63 Cb 0.88 -0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 2kw9 n ILE 63 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2kw9 s SER 64 N -4.79 6.81 -1.11 7.28 0.15 0.49 -4.91 113.70 117.62 2kw9 s SER 64 Ca -0.06 2.43 -0.23 0.00 0.70 0.00 0.00 55.95 58.79 2kw9 s SER 64 Cb 0.13 -2.63 -0.11 0.00 -1.71 0.00 0.00 66.02 61.70 2kw9 s SER 64 CO 0.87 -0.48 1.94 -0.81 1.20 0.00 0.00 173.24 175.96 2kw9 n PRO 65 N 0.61 1.49 -3.63 5.44 -0.04 -1.26 -4.94 135.00 132.66 2kw9 n PRO 65 Ca 0.01 -2.33 -0.33 0.00 -0.04 0.00 0.00 63.50 60.81 2kw9 n PRO 65 Cb 0.45 -3.62 -0.05 0.00 -0.04 0.00 0.00 33.50 30.24 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 10.52 5.14 0.10 0.52 -7.23 -1.26 -5.04 120.40 123.15 2kw9 s VAL 66 Ca 0.68 0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 60.87 2kw9 s VAL 66 Cb 0.01 -3.63 -0.11 0.00 0.56 0.00 0.00 36.38 33.22 2kw9 s VAL 66 CO 0.14 0.19 1.69 -0.65 -0.31 0.00 0.00 175.10 176.16 2kw9 h PRO 67 N 3.38 -0.25 -0.23 4.82 0.11 -2.02 -3.21 132.00 134.60 2kw9 h PRO 67 Ca -0.48 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2kw9 h PRO 67 Cb 1.18 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kw9 h PRO 67 CO 0.69 -0.17 -0.24 0.78 -0.21 0.00 0.00 178.00 178.85 2kw9 h GLY 68 N -0.26 0.63 -3.28 -0.55 0.00 -2.00 -3.50 103.07 94.11 2kw9 h GLY 68 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2kw9 h GLY 68 CO -0.06 0.59 -0.58 0.00 0.00 0.00 0.00 176.54 176.48 2kw9 n ALA 69 N -2.47 -2.42 -1.61 3.60 0.00 -1.21 -4.90 120.51 111.49 2kw9 n ALA 69 Ca -0.05 0.29 -0.47 0.00 0.00 0.00 0.00 53.44 53.21 2kw9 n ALA 69 Cb 0.44 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 2kw9 n ALA 69 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kw9 n PRO 70 N 1.13 1.51 0.30 0.00 -0.02 -1.26 -4.86 135.00 131.80 2kw9 n PRO 70 Ca 0.00 0.54 0.20 0.00 -2.02 0.00 0.00 63.50 62.22 2kw9 n PRO 70 Cb 0.00 -2.08 1.06 0.00 -0.02 0.00 0.00 33.50 32.46 2kw9 n PRO 70 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2kw9 h LYS 71 N 3.59 0.00 -3.12 -0.52 2.10 -2.02 -3.27 116.57 113.33 2kw9 h LYS 71 Ca -0.44 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.59 2kw9 h LYS 71 Cb 1.32 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 32.23 2kw9 h LYS 71 CO 0.71 0.00 -0.58 0.00 -2.00 0.00 0.00 179.45 177.59 2kw9 s ALA 72 N -3.99 3.76 0.21 0.07 0.00 -1.26 -5.09 121.76 115.45 2kw9 s ALA 72 Ca -0.04 -3.78 0.00 0.00 0.00 0.00 0.00 51.96 48.14 2kw9 s ALA 72 Cb 0.11 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2kw9 s ALA 72 CO 0.39 -2.09 0.05 -0.35 0.00 0.00 0.00 175.76 173.76 2kw9 n PRO 73 N 2.09 0.79 -3.93 0.00 -0.04 -1.24 -5.09 135.00 127.59 2kw9 n PRO 73 Ca 0.18 -0.15 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 2kw9 n PRO 73 Cb 0.35 -0.02 -0.07 0.00 -0.04 0.00 0.00 33.50 33.71 2kw9 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kw9 s ALA 74 N -2.39 3.75 -2.86 0.55 0.00 -1.26 -5.19 121.76 114.36 2kw9 s ALA 74 Ca 0.03 -0.67 0.23 0.00 0.00 0.00 0.00 51.96 51.55 2kw9 s ALA 74 Cb -0.00 -1.93 0.18 0.00 0.00 0.00 0.00 23.12 21.37 2kw9 s ALA 74 CO 0.02 0.53 1.23 0.00 0.00 0.00 0.00 175.76 177.54