#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kum s LEU 2 N 0.00 0.16 -0.53 5.98 2.96 -1.26 -5.12 118.68 120.88 2kum s LEU 2 Ca 0.00 0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 54.59 2kum s LEU 2 Cb 0.00 1.58 0.03 0.00 0.50 0.00 0.00 46.19 48.31 2kum s LEU 2 CO 0.00 -0.17 1.04 -0.76 -1.32 0.00 0.00 176.35 175.14 2kum s LEU 3 N 0.42 3.82 0.41 -0.68 2.01 -1.26 -5.03 118.68 118.37 2kum s LEU 3 Ca -0.01 0.02 -0.26 0.00 0.01 0.00 0.00 54.13 53.89 2kum s LEU 3 Cb -0.04 -3.13 -0.08 0.00 0.01 0.00 0.00 46.19 42.95 2kum s LEU 3 CO -0.01 -1.26 1.27 -2.84 1.01 0.00 0.00 176.35 174.51 2kum s PRO 4 N 4.27 3.97 -0.00 1.29 0.02 -1.26 -4.28 135.00 139.01 2kum s PRO 4 Ca 0.38 2.07 -0.36 0.00 0.02 0.00 0.00 61.00 63.11 2kum s PRO 4 Cb -0.10 -2.72 -0.15 0.00 0.02 0.00 0.00 34.50 31.55 2kum s PRO 4 CO 0.25 -0.46 1.61 -2.30 -0.33 0.00 0.00 177.00 175.76 2kum n PRO 5 N 0.09 1.67 -0.87 5.54 -0.02 -1.26 -0.98 135.00 139.16 2kum n PRO 5 Ca 0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2kum n PRO 5 Cb 0.44 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2kum n PRO 5 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kum n SER 6 N 4.24 -2.21 -3.83 2.55 2.88 -1.26 -4.89 113.62 111.09 2kum n SER 6 Ca 0.20 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 2kum n SER 6 Cb 0.23 -1.63 -0.00 0.00 -0.75 0.00 0.00 64.21 62.06 2kum n SER 6 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2kum n THR 7 N -2.24 5.05 -2.61 2.46 -1.04 -0.15 -4.98 114.28 110.76 2kum n THR 7 Ca 0.00 -5.86 -0.42 0.00 -2.04 0.00 0.00 64.05 55.74 2kum n THR 7 Cb 0.12 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 66.65 2kum n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kum s ALA 8 N -3.06 2.96 -0.41 2.41 0.00 -1.26 -4.48 121.76 117.92 2kum s ALA 8 Ca 0.34 -2.50 0.04 0.00 0.00 0.00 0.00 51.96 49.83 2kum s ALA 8 Cb 0.09 -4.50 0.17 0.00 0.00 0.00 0.00 23.12 18.88 2kum s ALA 8 CO 0.05 -3.46 0.34 0.00 0.00 0.00 0.00 175.76 172.69 2kum n THR 11 N 3.41 1.44 -1.90 0.00 -2.24 -1.26 -4.95 114.28 108.78 2kum n THR 11 Ca -0.18 0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 2kum n THR 11 Cb 0.53 -2.36 0.02 0.00 -2.10 0.00 0.00 70.33 66.42 2kum n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kum s GLN 12 N -2.36 3.34 -0.01 -0.78 1.03 -1.26 -5.09 119.66 114.53 2kum s GLN 12 Ca -0.18 0.63 0.03 0.00 0.04 0.00 0.00 55.36 55.88 2kum s GLN 12 Cb 0.03 -2.07 -0.00 0.00 0.03 0.00 0.00 33.01 30.99 2kum s GLN 12 CO 0.28 -0.72 -0.10 -0.51 -2.54 0.00 0.00 175.29 171.70 2kum s LEU 13 N -5.23 1.96 -0.09 2.60 1.43 -1.26 -4.80 118.68 113.28 2kum s LEU 13 Ca 0.56 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 53.20 2kum s LEU 13 Cb -0.11 -0.51 -0.24 0.00 0.03 0.00 0.00 46.19 45.36 2kum s LEU 13 CO 0.53 0.11 0.97 0.22 0.23 0.00 0.00 176.35 178.40 2kum h TYR 14 N 6.03 0.01 0.00 0.29 3.20 -0.83 -3.47 116.97 122.20 2kum h TYR 14 Ca -0.32 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2kum h TYR 14 Cb 1.17 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2kum h TYR 14 CO 0.41 0.80 0.00 0.54 -1.64 0.00 0.00 178.16 178.28 2kum n ARG 15 N -4.70 0.00 -2.35 1.82 1.74 -1.25 -4.94 116.66 106.98 2kum n ARG 15 Ca -0.09 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 2kum n ARG 15 Cb 0.39 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2kum s LYS 16 N 0.00 3.50 -0.00 5.56 -0.14 -1.26 -4.83 119.74 122.56 2kum s LYS 16 Ca 0.00 1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 55.85 2kum s LYS 16 Cb 0.00 -2.04 -0.06 0.00 -1.68 0.00 0.00 37.83 34.04 2kum s LYS 16 CO 0.00 -0.71 1.60 -2.14 -0.76 0.00 0.00 175.35 173.34 2kum s PRO 17 N -3.25 4.21 0.06 -1.68 0.02 -1.26 -4.80 135.00 128.30 2kum s PRO 17 Ca 0.71 2.19 -0.23 0.00 0.02 0.00 0.00 61.00 63.69 2kum s PRO 17 Cb -0.22 -3.78 -0.06 0.00 0.02 0.00 0.00 34.50 30.46 2kum s PRO 17 CO 0.25 -0.76 0.69 -0.51 -0.33 0.00 0.00 177.00 176.34 2kum s LEU 18 N 3.26 4.49 0.44 -5.54 1.43 -1.26 -5.04 118.68 116.45 2kum s LEU 18 Ca 0.72 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.97 2kum s LEU 18 Cb -0.35 -3.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 2kum s LEU 18 CO 0.30 0.13 1.11 -0.44 0.23 0.00 0.00 176.35 177.68 2kum s SER 19 N -0.51 6.39 0.54 2.29 0.01 -1.26 -4.88 113.70 116.28 2kum s SER 19 Ca 0.34 2.18 0.20 0.00 1.31 0.00 0.00 55.95 59.97 2kum s SER 19 Cb -0.20 -2.59 1.39 0.00 0.21 0.00 0.00 66.02 64.82 2kum s SER 19 CO 0.21 -0.76 2.15 -0.78 0.41 0.00 0.00 173.24 174.48 2kum h ASP 20 N 2.16 0.00 -0.50 2.44 3.58 -1.97 -0.99 116.42 121.13 2kum h ASP 20 Ca -0.49 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.00 2kum h ASP 20 Cb 1.23 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.24 2kum h ASP 20 CO 0.61 0.00 0.25 0.11 -2.88 0.00 0.00 179.24 177.33 2kum h LYS 21 N 0.00 0.47 0.00 0.28 1.57 -2.01 -0.47 116.57 116.42 2kum h LYS 21 Ca 0.03 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2kum h LYS 21 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kum h LYS 21 CO -0.00 0.31 -0.63 1.37 -0.57 0.00 0.00 179.45 179.93 2kum h LEU 22 N 0.49 0.00 -0.96 2.94 8.10 -1.69 -3.33 115.31 120.86 2kum h LEU 22 Ca 0.22 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.17 2kum h LEU 22 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.31 2kum h LEU 22 CO -0.15 0.63 0.30 -0.07 -4.11 0.00 0.00 178.44 175.04 2kum h LEU 23 N 0.00 0.97 0.00 0.17 3.38 0.12 -1.14 115.31 118.81 2kum h LEU 23 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kum h LEU 23 Cb 1.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kum h LEU 23 CO 0.08 0.85 0.00 -2.11 0.09 0.00 0.00 178.44 177.35 2kum n ARG 24 N -4.30 0.00 0.00 1.13 1.85 -0.42 -0.28 116.66 114.64 2kum n ARG 24 Ca 0.07 0.29 0.07 0.00 -1.00 0.00 0.00 57.85 57.27 2kum n ARG 24 Cb 0.17 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.02 2kum n ARG 24 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 25 N -1.29 2.14 -2.60 2.89 5.02 -0.43 -4.59 118.16 119.30 2kum n LYS 25 Ca 0.00 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.62 2kum n LYS 25 Cb 0.00 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 2kum n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kum s VAL 26 N -2.16 4.07 0.16 -0.18 1.01 0.62 -1.08 120.40 122.83 2kum s VAL 26 Ca 0.08 -1.27 0.27 0.00 0.00 0.00 0.00 61.98 61.06 2kum s VAL 26 Cb 0.11 -5.09 0.29 0.00 0.00 0.00 0.00 36.38 31.69 2kum s VAL 26 CO 0.52 -1.94 1.91 0.16 0.00 0.00 0.00 175.10 175.74 2kum h ILE 27 N 6.25 0.39 -4.03 2.22 3.07 -1.60 -3.45 117.51 120.35 2kum h ILE 27 Ca 0.29 -0.86 -0.12 0.00 1.55 0.00 0.00 64.86 65.71 2kum h ILE 27 Cb 0.96 1.64 -0.16 0.00 -0.27 0.00 0.00 36.82 38.98 2kum h ILE 27 CO 1.42 0.14 -0.60 -1.10 -1.05 0.00 0.00 178.15 176.96 2kum s GLN 28 N -3.72 0.60 -0.15 0.16 -1.52 -0.65 -4.74 119.66 109.64 2kum s GLN 28 Ca 0.00 -0.98 0.02 0.00 -1.95 0.00 0.00 55.36 52.45 2kum s GLN 28 Cb 0.10 0.22 0.01 0.00 -0.22 0.00 0.00 33.01 33.13 2kum s GLN 28 CO 0.60 -0.14 -0.20 0.08 -0.25 0.00 0.00 175.29 175.38 2kum s VAL 29 N -3.27 2.01 0.09 1.09 1.01 -1.26 -0.86 120.40 119.21 2kum s VAL 29 Ca 0.01 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.11 2kum s VAL 29 Cb 0.03 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2kum s VAL 29 CO -0.08 0.54 -0.01 -1.61 0.00 0.00 0.00 175.10 173.94 2kum s GLU 30 N 1.05 2.50 -0.11 2.72 2.02 0.15 -4.95 118.70 122.08 2kum s GLU 30 Ca -0.02 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.11 2kum s GLU 30 Cb -0.14 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.60 2kum s GLU 30 CO -0.07 0.54 -0.07 -1.17 0.02 0.00 0.00 175.26 174.51 2kum s LEU 31 N -2.28 1.14 -0.57 1.80 2.96 -1.26 0.33 118.68 120.81 2kum s LEU 31 Ca 0.25 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.63 2kum s LEU 31 Cb -0.12 -0.80 0.04 0.00 0.50 0.00 0.00 46.19 45.81 2kum s LEU 31 CO 0.18 -0.12 1.02 -1.58 -1.32 0.00 0.00 176.35 174.53 2kum s GLN 32 N 1.70 3.37 0.68 1.98 0.74 0.68 -4.90 119.66 123.90 2kum s GLN 32 Ca 0.04 -0.15 -0.17 0.00 0.05 0.00 0.00 55.36 55.14 2kum s GLN 32 Cb -0.13 -4.05 0.01 0.00 1.10 0.00 0.00 33.01 29.94 2kum s GLN 32 CO -0.08 -1.57 1.25 -1.21 -0.55 0.00 0.00 175.29 173.13 2kum s GLU 33 N 4.28 2.38 0.00 1.67 2.02 -1.26 -1.92 118.70 125.88 2kum s GLU 33 Ca 0.34 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.25 2kum s GLU 33 Cb -0.11 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2kum s GLU 33 CO 0.20 -1.69 0.40 0.00 0.02 0.00 0.00 175.26 174.19 2kum n ALA 34 N -2.24 2.08 0.00 5.21 0.00 -1.26 -3.76 120.51 120.54 2kum n ALA 34 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kum n ALA 34 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2kum n ALA 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kum n ASP 35 N 0.06 0.00 -0.02 0.00 2.03 -0.85 -3.66 116.55 114.11 2kum n ASP 35 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2kum n ASP 35 Cb 0.15 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.53 2kum n ASP 35 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kum h GLY 36 N 0.00 -1.66 0.00 0.27 0.00 -1.96 -3.32 103.07 96.40 2kum h GLY 36 Ca 0.00 0.77 -0.16 0.00 0.00 0.00 0.00 47.33 47.94 2kum h GLY 36 CO 0.00 -0.58 -0.94 -1.80 0.00 0.00 0.00 176.54 173.22 2kum h ASP 37 N -0.10 0.00 -5.11 0.19 1.82 -1.84 -3.48 116.42 107.89 2kum h ASP 37 Ca 0.01 -0.49 -0.13 0.00 -0.39 0.00 0.00 57.03 56.04 2kum h ASP 37 Cb 0.14 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 39.97 2kum h ASP 37 CO -0.12 1.29 -0.58 0.00 -1.61 0.00 0.00 179.24 178.22 2kum n HIS 39 N 0.69 4.35 -3.55 0.00 1.44 -1.26 -2.01 115.22 114.88 2kum n HIS 39 Ca -0.18 -2.84 -0.01 0.00 -2.01 0.00 0.00 57.72 52.67 2kum n HIS 39 Cb 0.59 -2.62 -0.05 0.00 0.12 0.00 0.00 29.99 28.03 2kum n HIS 39 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2kum s LEU 40 N 3.84 -0.58 -0.31 2.39 0.20 -1.24 -4.84 118.68 118.14 2kum s LEU 40 Ca 0.53 0.86 -0.19 0.00 0.69 0.00 0.00 54.13 56.01 2kum s LEU 40 Cb 0.06 1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 47.57 2kum s LEU 40 CO 0.04 -0.13 0.58 -1.58 -0.29 0.00 0.00 176.35 174.97 2kum s GLN 41 N 1.87 3.85 -0.10 1.98 0.74 -1.26 -4.09 119.66 122.66 2kum s GLN 41 Ca -0.06 0.17 -0.06 0.00 0.05 0.00 0.00 55.36 55.46 2kum s GLN 41 Cb -0.05 -3.74 0.04 0.00 1.10 0.00 0.00 33.01 30.36 2kum s GLN 41 CO -0.16 -0.56 0.24 0.00 -0.55 0.00 0.00 175.29 174.26 2kum s ALA 42 N 2.51 -0.55 -0.37 1.58 0.00 -0.81 -4.44 121.76 119.67 2kum s ALA 42 Ca 0.23 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.88 2kum s ALA 42 Cb -0.15 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2kum s ALA 42 CO 0.12 -0.17 0.62 -0.06 0.00 0.00 0.00 175.76 176.26 2kum s PHE 43 N 0.95 3.14 -0.15 0.00 0.08 0.09 -0.23 117.98 121.85 2kum s PHE 43 Ca -0.07 0.22 -0.04 0.00 0.12 0.00 0.00 56.93 57.16 2kum s PHE 43 Cb -0.08 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 2kum s PHE 43 CO -0.06 -0.67 -0.03 0.08 -0.10 0.00 0.00 175.22 174.44 2kum s VAL 44 N 2.68 3.94 -0.29 -0.44 1.01 0.15 -1.36 120.40 126.09 2kum s VAL 44 Ca 0.23 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 2kum s VAL 44 Cb -0.15 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2kum s VAL 44 CO 0.16 0.49 0.53 -0.76 0.00 0.00 0.00 175.10 175.52 2kum s LEU 45 N 0.33 4.13 -0.64 3.92 1.43 0.56 0.31 118.68 128.72 2kum s LEU 45 Ca -0.04 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2kum s LEU 45 Cb -0.14 -2.67 0.13 0.00 0.03 0.00 0.00 46.19 43.54 2kum s LEU 45 CO 0.03 -0.37 0.69 -2.28 0.23 0.00 0.00 176.35 174.65 2kum s HIS 46 N 2.39 3.19 0.65 0.29 5.65 -0.04 -0.62 115.29 126.80 2kum s HIS 46 Ca 0.21 -1.24 -0.11 0.00 0.25 0.00 0.00 55.06 54.17 2kum s HIS 46 Cb -0.15 -3.94 -0.01 0.00 -1.18 0.00 0.00 32.58 27.29 2kum s HIS 46 CO 0.11 -1.19 1.05 -0.51 -0.65 0.00 0.00 174.74 173.55 2kum s LEU 47 N 2.00 3.10 0.00 8.88 1.02 0.11 -1.63 118.68 132.15 2kum s LEU 47 Ca 0.11 1.25 0.05 0.00 0.02 0.00 0.00 54.13 55.57 2kum s LEU 47 Cb -0.22 -4.18 0.23 0.00 0.02 0.00 0.00 46.19 42.04 2kum s LEU 47 CO 0.02 -1.07 1.14 0.00 0.02 0.00 0.00 176.35 176.45 2kum n ALA 48 N -2.84 1.28 -0.09 4.21 0.00 -0.24 -2.77 120.51 120.06 2kum n ALA 48 Ca 0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 2kum n ALA 48 Cb 0.56 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 2kum n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kum n GLN 49 N -1.46 0.37 -3.96 0.00 3.00 -1.26 -5.10 117.38 108.96 2kum n GLN 49 Ca 0.01 0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 57.07 2kum n GLN 49 Cb 0.06 -1.13 -0.05 0.00 0.00 0.00 0.00 30.24 29.12 2kum n GLN 49 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2kum s ARG 50 N -2.31 1.57 -0.05 -1.09 3.03 -1.12 -5.13 118.95 113.84 2kum s ARG 50 Ca -0.24 -1.18 -0.00 0.00 2.03 0.00 0.00 55.73 56.34 2kum s ARG 50 Cb 0.09 0.49 -0.03 0.00 -1.03 0.00 0.00 34.95 34.47 2kum s ARG 50 CO 0.31 -0.66 -0.01 -1.12 -1.13 0.00 0.00 175.30 172.68 2kum s SER 51 N -2.99 5.06 -0.02 -2.89 0.01 -1.26 0.04 113.70 111.66 2kum s SER 51 Ca 0.20 0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.58 2kum s SER 51 Cb -0.01 -1.36 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 2kum s SER 51 CO 0.08 0.34 -0.23 -0.63 0.41 0.00 0.00 173.24 173.20 2kum s ILE 52 N -0.94 2.31 -0.24 1.44 1.01 0.21 -4.65 121.20 120.34 2kum s ILE 52 Ca 0.15 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2kum s ILE 52 Cb -0.11 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2kum s ILE 52 CO 0.05 0.56 0.15 0.00 0.00 0.00 0.00 174.94 175.69 2kum s ILE 54 N 1.03 1.43 0.33 0.00 1.01 -0.46 -0.03 121.20 124.51 2kum s ILE 54 Ca 0.07 -1.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.18 2kum s ILE 54 Cb -0.13 -1.29 -0.11 0.00 0.01 0.00 0.00 42.46 40.93 2kum s ILE 54 CO 0.04 0.01 1.56 -2.28 0.00 0.00 0.00 174.94 174.27 2kum s HIS 55 N -0.98 2.68 0.10 3.97 5.65 -1.26 -0.73 115.29 124.71 2kum s HIS 55 Ca 0.04 0.93 -0.27 0.00 0.25 0.00 0.00 55.06 56.01 2kum s HIS 55 Cb -0.09 -4.06 -0.10 0.00 -1.18 0.00 0.00 32.58 27.15 2kum s HIS 55 CO 0.02 -3.39 1.44 -1.00 -0.65 0.00 0.00 174.74 171.16 2kum h PRO 56 N 4.11 -0.42 -5.39 2.88 0.13 -1.86 -2.79 132.00 128.65 2kum h PRO 56 Ca -0.49 0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 2kum h PRO 56 Cb 1.23 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.33 2kum h PRO 56 CO 0.73 -0.28 1.86 1.04 -0.23 0.00 0.00 178.00 181.12 2kum n GLN 57 N -4.84 3.27 -4.23 0.86 3.00 -1.26 -4.71 117.38 109.46 2kum n GLN 57 Ca -0.04 -3.51 -0.18 0.00 -0.01 0.00 0.00 57.00 53.25 2kum n GLN 57 Cb 0.30 -3.31 -0.15 0.00 0.00 0.00 0.00 30.24 27.08 2kum n GLN 57 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2kum s ASN 58 N 3.63 0.84 0.28 1.08 2.47 -1.05 -5.05 114.94 117.14 2kum s ASN 58 Ca 0.49 -0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.67 2kum s ASN 58 Cb 0.01 -0.18 0.69 0.00 -1.45 0.00 0.00 41.25 40.32 2kum s ASN 58 CO 0.05 0.05 1.66 -0.65 -3.72 0.00 0.00 177.10 174.49 2kum h PRO 59 N 6.29 0.26 -0.51 0.43 0.11 -1.90 -0.79 132.00 135.89 2kum h PRO 59 Ca -0.32 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.84 2kum h PRO 59 Cb 1.18 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2kum h PRO 59 CO 0.49 0.17 0.22 0.77 -0.21 0.00 0.00 178.00 179.44 2kum h SER 60 N 0.27 0.27 0.09 -2.05 0.02 -1.88 -1.19 113.55 109.09 2kum h SER 60 Ca 0.54 0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 61.27 2kum h SER 60 Cb 1.05 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.62 2kum h SER 60 CO -0.60 0.19 -1.07 0.25 -1.14 0.00 0.00 176.83 174.45 2kum h LEU 61 N 0.42 0.78 -0.15 5.07 7.12 -1.49 -2.37 115.31 124.70 2kum h LEU 61 Ca 0.24 -0.82 -0.15 0.00 0.13 0.00 0.00 57.88 57.28 2kum h LEU 61 Cb 0.21 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2kum h LEU 61 CO -0.20 1.52 -0.47 -1.28 -0.13 0.00 0.00 178.44 177.87 2kum h SER 62 N 0.14 0.68 0.23 1.25 0.87 -1.29 -2.31 113.55 113.13 2kum h SER 62 Ca -0.16 -0.60 -0.03 0.00 -1.23 0.00 0.00 61.79 59.77 2kum h SER 62 Cb 1.77 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2kum h SER 62 CO 0.21 1.16 -0.16 1.56 -0.53 0.00 0.00 176.83 179.06 2kum h GLN 63 N 0.24 0.00 -0.85 2.24 4.20 -1.33 -1.30 115.11 118.31 2kum h GLN 63 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2kum h GLN 63 Cb 1.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 2kum h GLN 63 CO 0.10 0.16 0.48 2.35 -0.67 0.00 0.00 178.83 181.26 2kum h TRP 64 N 0.00 1.16 -1.00 2.96 -0.00 -0.90 0.63 115.95 118.79 2kum h TRP 64 Ca -0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 58.89 58.96 2kum h TRP 64 Cb 0.32 -0.37 -0.08 0.00 -0.00 0.00 0.00 29.16 29.04 2kum h TRP 64 CO 0.00 0.79 0.64 0.74 -0.00 0.00 0.00 178.44 180.61 2kum h PHE 65 N 1.19 1.17 0.06 2.65 0.04 -0.74 1.05 116.94 122.36 2kum h PHE 65 Ca 0.30 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 2kum h PHE 65 Cb 0.00 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 37.77 2kum h PHE 65 CO 0.01 0.54 -0.03 0.93 -0.60 0.00 0.00 178.31 179.16 2kum h GLU 66 N 1.09 -0.08 0.02 1.51 5.08 -1.25 -2.90 114.58 118.05 2kum h GLU 66 Ca 0.46 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2kum h GLU 66 Cb 0.31 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kum h GLU 66 CO -0.21 0.21 -0.01 0.45 -1.00 0.00 0.00 179.01 178.44 2kum h HIS 67 N -0.36 -0.02 -0.23 4.33 3.86 0.15 -2.94 115.15 119.94 2kum h HIS 67 Ca -0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2kum h HIS 67 Cb 0.32 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2kum h HIS 67 CO 0.02 0.28 0.07 -0.56 0.86 0.00 0.00 177.93 178.59 2kum h GLN 68 N -0.32 0.33 -0.85 2.45 3.07 0.97 0.44 115.11 121.20 2kum h GLN 68 Ca -0.00 -0.04 0.11 0.00 0.09 0.00 0.00 58.65 58.81 2kum h GLN 68 Cb 0.31 -0.06 -0.06 0.00 0.08 0.00 0.00 27.48 27.74 2kum h GLN 68 CO 0.00 0.30 0.55 1.49 0.09 0.00 0.00 178.83 181.27 2kum h GLU 69 N 0.33 0.75 -0.32 0.06 4.81 -1.33 -1.35 114.58 117.53 2kum h GLU 69 Ca 0.08 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 2kum h GLU 69 Cb 0.11 -0.17 -0.11 0.00 0.63 0.00 0.00 28.75 29.22 2kum h GLU 69 CO -0.01 0.49 -0.20 2.89 -0.73 0.00 0.00 179.01 181.46 2kum n ARG 70 N -4.53 1.90 0.00 1.92 1.85 -0.05 -4.99 116.66 112.76 2kum n ARG 70 Ca 0.15 -3.29 0.00 0.00 -1.00 0.00 0.00 57.85 53.71 2kum n ARG 70 Cb 0.36 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 2kum n ARG 70 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kum n LYS 71 N -1.10 0.60 -2.40 2.89 3.00 -0.06 -4.90 118.16 116.19 2kum n LYS 71 Ca 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.53 2kum n LYS 71 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.98 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kum n LEU 72 N 0.00 -0.92 -0.63 3.14 7.99 -1.26 -1.72 117.00 123.60 2kum n LEU 72 Ca 0.00 0.25 -0.08 0.00 -0.01 0.00 0.00 56.01 56.17 2kum n LEU 72 Cb 0.00 -1.92 -0.04 0.00 -0.11 0.00 0.00 43.42 41.35 2kum n LEU 72 CO 0.00 -0.12 -0.08 1.57 -1.51 0.00 0.00 177.39 177.25 2kum n HIS 73 N -3.16 0.00 -0.31 -1.77 -0.00 -1.26 -1.15 115.22 107.57 2kum n HIS 73 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 2kum n HIS 73 Cb 0.58 -2.17 0.00 0.00 -0.00 0.00 0.00 29.99 28.40 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kum n GLY 74 N -0.49 0.98 3.48 1.57 0.00 -0.70 -5.02 105.19 105.00 2kum n GLY 74 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2kum n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kum s THR 75 N -2.79 4.87 -0.17 2.61 -4.23 -0.30 -5.05 115.64 110.57 2kum s THR 75 Ca 0.00 -0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.02 2kum s THR 75 Cb 0.00 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.41 2kum s THR 75 CO 0.00 0.06 0.50 -0.22 -0.54 0.00 0.00 174.62 174.42 2kum s LEU 76 N 1.66 0.08 0.60 4.79 2.96 -1.26 -4.72 118.68 122.79 2kum s LEU 76 Ca 0.05 0.95 -0.17 0.00 -0.22 0.00 0.00 54.13 54.75 2kum s LEU 76 Cb -0.17 1.75 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 2kum s LEU 76 CO 0.08 -0.21 1.10 -2.16 -1.32 0.00 0.00 176.35 173.84 2kum s PRO 77 N 0.11 3.15 -0.99 0.98 0.04 -1.26 -4.96 135.00 132.07 2kum s PRO 77 Ca -0.01 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.24 2kum s PRO 77 Cb -0.03 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.60 2kum s PRO 77 CO 0.01 -0.98 1.32 0.15 0.04 0.00 0.00 177.00 177.55 2kum s LYS 78 N -3.76 3.61 -0.20 4.56 -0.14 -1.26 -4.98 119.74 117.57 2kum s LYS 78 Ca 0.68 -1.45 -0.17 0.00 -1.36 0.00 0.00 55.97 53.68 2kum s LYS 78 Cb -0.20 -5.17 -0.04 0.00 -1.68 0.00 0.00 37.83 30.74 2kum s LYS 78 CO 0.34 -2.01 0.44 -0.51 -0.76 0.00 0.00 175.35 172.84 2kum s LEU 79 N 3.90 4.15 0.00 3.17 1.43 -1.26 -4.92 118.68 125.15 2kum s LEU 79 Ca 0.40 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 2kum s LEU 79 Cb -0.02 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2kum s LEU 79 CO -0.09 -0.11 0.67 -0.46 0.23 0.00 0.00 176.35 176.58 2kum n ASN 80 N 4.61 0.07 -0.66 2.29 2.04 -1.26 -2.74 115.26 119.61 2kum n ASN 80 Ca -0.07 -1.41 0.07 0.00 -0.44 0.00 0.00 54.58 52.73 2kum n ASN 80 Cb 0.51 -0.04 0.22 0.00 -2.53 0.00 0.00 39.78 37.94 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 2kum n PHE 81 N -0.43 0.43 0.06 -2.53 3.72 -1.26 -4.16 117.46 113.28 2kum n PHE 81 Ca 0.00 -0.21 0.04 0.00 -0.05 0.00 0.00 57.45 57.22 2kum n PHE 81 Cb 0.02 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.75 2kum n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kum n GLY 82 N 1.11 -0.59 0.00 1.37 0.00 -1.11 -0.70 105.19 105.26 2kum n GLY 82 Ca 0.13 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.29 2kum n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kum n MET 83 N -1.73 0.17 -0.27 1.61 0.00 -1.26 -2.18 117.12 113.45 2kum n MET 83 Ca -0.00 0.17 0.12 0.00 0.00 0.00 0.00 57.70 57.98 2kum n MET 83 Cb 0.05 -1.50 0.27 0.00 0.00 0.00 0.00 33.22 32.04 2kum n MET 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2kum n LEU 84 N -1.31 3.60 -4.02 3.17 7.94 0.12 -3.02 117.00 123.47 2kum n LEU 84 Ca 0.06 -1.68 -0.38 0.00 -1.11 0.00 0.00 56.01 52.90 2kum n LEU 84 Cb 0.12 -0.36 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 2kum n LEU 84 CO 0.11 0.84 1.97 0.54 -1.11 0.00 0.00 177.39 179.74 2kum n ARG 85 N 1.51 1.84 -0.85 1.96 1.74 -0.93 -3.89 116.66 118.04 2kum n ARG 85 Ca 0.22 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 2kum n ARG 85 Cb 0.60 -3.27 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 2kum n ARG 85 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kum n LYS 86 N 7.44 -0.97 0.00 5.56 4.76 -1.26 -4.74 118.16 128.94 2kum n LYS 86 Ca 0.48 0.24 0.09 0.00 -2.87 0.00 0.00 58.31 56.26 2kum n LYS 86 Cb 0.43 -4.38 -0.00 0.00 -1.84 0.00 0.00 35.03 29.24 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kum n MET 87 N -0.67 1.48 0.00 1.97 2.81 -1.25 -5.17 117.12 116.29 2kum n MET 87 Ca 0.00 -0.92 0.07 0.00 -1.81 0.00 0.00 57.70 55.04 2kum n MET 87 Cb 0.24 -1.37 0.06 0.00 -0.71 0.00 0.00 33.22 31.44 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89