#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 -0.04 -0.38 5.98 2.96 -1.26 -5.04 118.68 120.90 2kum s LEU 2 Ca 0.00 1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 2kum s LEU 2 Cb 0.00 1.77 0.01 0.00 0.50 0.00 0.00 46.19 48.47 2kum s LEU 2 CO 0.00 -0.18 1.36 -0.76 -1.32 0.00 0.00 176.35 175.44 2kum s LEU 3 N 0.43 3.68 0.25 -0.68 2.01 -1.26 -4.97 118.68 118.13 2kum s LEU 3 Ca -0.01 0.92 -0.31 0.00 0.01 0.00 0.00 54.13 54.74 2kum s LEU 3 Cb -0.04 -3.54 -0.14 0.00 0.01 0.00 0.00 46.19 42.48 2kum s LEU 3 CO -0.01 -1.31 1.28 -2.65 1.01 0.00 0.00 176.35 174.66 2kum n PRO 4 N 7.83 1.75 -1.68 1.29 -0.02 -1.26 -4.72 135.00 138.19 2kum n PRO 4 Ca 0.16 0.62 -0.50 0.00 -2.02 0.00 0.00 63.50 61.76 2kum n PRO 4 Cb 0.48 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2kum n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kum n PRO 5 N 1.57 1.98 -1.09 0.52 -0.02 -1.26 -0.15 135.00 136.55 2kum n PRO 5 Ca 0.11 0.72 -0.03 0.00 -2.02 0.00 0.00 63.50 62.28 2kum n PRO 5 Cb 0.31 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kum n SER 6 N 6.58 -5.02 -0.71 2.55 7.64 -1.26 -4.75 113.62 118.65 2kum n SER 6 Ca 0.24 0.08 0.05 0.00 1.01 0.00 0.00 58.87 60.25 2kum n SER 6 Cb 0.27 -2.80 0.11 0.00 -1.01 0.00 0.00 64.21 60.78 2kum n SER 6 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kum n THR 7 N -2.36 1.19 -2.79 0.44 -1.04 0.79 -4.99 114.28 105.52 2kum n THR 7 Ca -0.03 -1.91 -0.43 0.00 -2.04 0.00 0.00 64.05 59.64 2kum n THR 7 Cb 0.38 0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.77 3.36 -1.13 2.41 0.00 -0.91 -4.36 121.76 119.35 2kum s ALA 8 Ca 0.29 -2.82 -0.17 0.00 0.00 0.00 0.00 51.96 49.27 2kum s ALA 8 Cb 0.30 -4.28 0.13 0.00 0.00 0.00 0.00 23.12 19.26 2kum s ALA 8 CO -0.06 -3.14 1.41 0.00 0.00 0.00 0.00 175.76 173.97 2kum n THR 11 N 6.10 0.00 -4.16 0.00 -2.24 -1.26 -4.90 114.28 107.81 2kum n THR 11 Ca 0.16 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 2kum n THR 11 Cb 0.45 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.24 0.81 -0.05 -0.78 1.03 -1.26 -5.15 119.66 112.02 2kum s GLN 12 Ca 0.29 -1.21 0.00 0.00 0.04 0.00 0.00 55.36 54.48 2kum s GLN 12 Cb 0.20 -0.35 0.02 0.00 0.03 0.00 0.00 33.01 32.91 2kum s GLN 12 CO 0.43 0.03 -0.03 -0.51 -2.54 0.00 0.00 175.29 172.66 2kum s LEU 13 N -2.67 1.17 0.00 2.60 1.43 -1.26 -4.78 118.68 115.17 2kum s LEU 13 Ca 0.07 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2kum s LEU 13 Cb 0.00 -0.44 -0.18 0.00 0.03 0.00 0.00 46.19 45.60 2kum s LEU 13 CO -0.02 -0.09 1.31 0.22 0.23 0.00 0.00 176.35 178.00 2kum h TYR 14 N 7.44 0.14 -0.74 0.29 3.20 -1.23 -3.47 116.97 122.60 2kum h TYR 14 Ca -0.34 -0.04 -0.32 0.00 3.14 0.00 0.00 58.73 61.17 2kum h TYR 14 Cb 1.15 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.26 2kum h TYR 14 CO 0.49 0.55 -0.29 0.54 -1.64 0.00 0.00 178.16 177.82 2kum n ARG 15 N -4.77 -1.60 -5.08 1.82 1.74 -1.26 -4.94 116.66 102.58 2kum n ARG 15 Ca -0.08 1.04 -0.29 0.00 -0.77 0.00 0.00 57.85 57.76 2kum n ARG 15 Cb 0.28 -5.45 -0.16 0.00 -1.02 0.00 0.00 32.46 26.10 2kum n ARG 15 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2kum s LYS 16 N -3.30 2.12 0.07 5.56 2.20 -1.26 -5.02 119.74 120.10 2kum s LYS 16 Ca 0.00 -0.78 -0.35 0.00 -0.36 0.00 0.00 55.97 54.48 2kum s LYS 16 Cb 0.00 -1.85 -0.14 0.00 -1.51 0.00 0.00 37.83 34.32 2kum s LYS 16 CO 0.00 0.35 1.59 -0.35 -0.36 0.00 0.00 175.35 176.58 2kum n PRO 17 N 2.94 1.85 -3.04 4.03 -0.04 -1.26 -4.95 135.00 134.53 2kum n PRO 17 Ca -0.17 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.57 2kum n PRO 17 Cb 0.52 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 2kum n PRO 17 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kum s LEU 18 N 1.59 4.58 0.36 1.53 1.43 -1.26 -5.02 118.68 121.88 2kum s LEU 18 Ca 0.84 1.57 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 2kum s LEU 18 Cb -0.77 -3.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.12 2kum s LEU 18 CO 0.44 0.22 1.41 -0.44 0.23 0.00 0.00 176.35 178.21 2kum s SER 19 N -1.11 6.52 0.46 2.29 0.01 -1.26 -4.87 113.70 115.74 2kum s SER 19 Ca 0.35 2.90 0.21 0.00 1.31 0.00 0.00 55.95 60.72 2kum s SER 19 Cb -0.22 -2.66 1.14 0.00 0.21 0.00 0.00 66.02 64.48 2kum s SER 19 CO 0.25 -0.73 1.97 -0.78 0.41 0.00 0.00 173.24 174.35 2kum h ASP 20 N 3.19 0.00 -0.30 2.44 3.58 -1.98 -1.17 116.42 122.18 2kum h ASP 20 Ca -0.50 0.00 0.03 0.00 0.42 0.00 0.00 57.03 56.98 2kum h ASP 20 Cb 1.23 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.25 2kum h ASP 20 CO 0.65 0.21 0.12 0.11 -2.88 0.00 0.00 179.24 177.44 2kum h LYS 21 N 0.00 0.25 0.00 0.28 1.57 -2.00 -0.82 116.57 115.85 2kum h LYS 21 Ca -0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2kum h LYS 21 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2kum h LYS 21 CO 0.03 0.17 -0.50 1.37 -0.57 0.00 0.00 179.45 179.95 2kum h LEU 22 N 0.26 0.00 -0.93 2.94 8.10 -1.80 -3.19 115.31 120.68 2kum h LEU 22 Ca 0.13 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.13 2kum h LEU 22 Cb 0.08 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.26 2kum h LEU 22 CO -0.12 0.50 0.62 -0.07 -4.11 0.00 0.00 178.44 175.25 2kum h LEU 23 N 0.00 1.08 0.00 0.17 3.38 -0.22 -1.11 115.31 118.60 2kum h LEU 23 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kum h LEU 23 Cb 1.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kum h LEU 23 CO 0.06 0.78 0.00 -2.11 0.09 0.00 0.00 178.44 177.27 2kum n ARG 24 N -4.43 0.55 -0.01 1.13 1.85 -0.41 -1.04 116.66 114.30 2kum n ARG 24 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2kum n ARG 24 Cb 0.01 -1.27 0.01 0.00 -1.05 0.00 0.00 32.46 30.16 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 -0.77 2.24 -2.76 2.89 5.02 -0.43 -4.62 118.16 119.73 2kum n LYS 25 Ca 0.07 -1.34 -0.42 0.00 -2.02 0.00 0.00 58.31 54.60 2kum n LYS 25 Cb 0.03 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.82 4.17 -0.11 -0.18 1.01 -0.20 -1.61 120.40 122.65 2kum s VAL 26 Ca 0.01 0.05 0.14 0.00 0.00 0.00 0.00 61.98 62.18 2kum s VAL 26 Cb 0.01 -4.72 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 2kum s VAL 26 CO 0.01 -1.48 1.32 0.16 0.00 0.00 0.00 175.10 175.11 2kum h ILE 27 N 6.01 0.95 -3.63 2.22 3.07 -1.51 -3.47 117.51 121.14 2kum h ILE 27 Ca -0.28 -2.38 -0.09 0.00 1.55 0.00 0.00 64.86 63.65 2kum h ILE 27 Cb 1.06 2.44 -0.16 0.00 -0.27 0.00 0.00 36.82 39.89 2kum h ILE 27 CO 1.19 0.54 -0.35 -1.10 -1.05 0.00 0.00 178.15 177.38 2kum s GLN 28 N -2.91 0.79 -0.14 0.16 -1.52 -0.85 -4.99 119.66 110.21 2kum s GLN 28 Ca 0.02 -0.76 0.02 0.00 -1.95 0.00 0.00 55.36 52.69 2kum s GLN 28 Cb 0.08 0.33 0.00 0.00 -0.22 0.00 0.00 33.01 33.20 2kum s GLN 28 CO 0.77 -0.25 -0.20 0.08 -0.25 0.00 0.00 175.29 175.44 2kum s VAL 29 N -3.20 2.25 0.10 1.09 1.01 -1.26 -0.80 120.40 119.58 2kum s VAL 29 Ca -0.00 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2kum s VAL 29 Cb 0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2kum s VAL 29 CO -0.07 0.54 -0.26 -1.83 0.00 0.00 0.00 175.10 173.47 2kum s GLU 30 N 0.73 1.54 -0.14 2.72 -1.05 0.04 -4.96 118.70 117.57 2kum s GLU 30 Ca -0.09 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 53.49 2kum s GLU 30 Cb -0.16 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.62 2kum s GLU 30 CO 0.00 0.47 -0.14 -1.17 0.95 0.00 0.00 175.26 175.37 2kum s LEU 31 N -1.73 2.63 -0.59 1.83 2.96 -1.26 -0.15 118.68 122.37 2kum s LEU 31 Ca 0.13 -0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 53.43 2kum s LEU 31 Cb -0.10 -1.59 0.05 0.00 0.50 0.00 0.00 46.19 45.05 2kum s LEU 31 CO 0.04 0.14 0.95 -1.58 -1.32 0.00 0.00 176.35 174.59 2kum s GLN 32 N 0.47 3.24 0.70 1.98 0.74 0.15 -4.91 119.66 122.03 2kum s GLN 32 Ca -0.10 -0.48 -0.16 0.00 0.05 0.00 0.00 55.36 54.67 2kum s GLN 32 Cb -0.16 -4.12 0.02 0.00 1.10 0.00 0.00 33.01 29.85 2kum s GLN 32 CO 0.05 -1.61 1.25 -1.21 -0.55 0.00 0.00 175.29 173.21 2kum s GLU 33 N 4.00 2.28 0.00 1.67 2.02 -1.26 -1.37 118.70 126.04 2kum s GLU 33 Ca 0.27 1.91 0.12 0.00 0.02 0.00 0.00 54.97 57.29 2kum s GLU 33 Cb -0.14 -1.83 0.72 0.00 0.10 0.00 0.00 34.13 32.98 2kum s GLU 33 CO 0.16 -1.77 1.15 0.00 0.02 0.00 0.00 175.26 174.82 2kum n ALA 34 N -2.39 2.04 0.00 5.21 0.00 -1.26 -3.20 120.51 120.90 2kum n ALA 34 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kum n ALA 34 Cb 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.91 0.00 0.15 0.00 2.03 -0.25 -4.08 116.55 113.49 2kum n ASP 35 Ca 0.09 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.27 2kum n ASP 35 Cb 0.04 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.55 0.35 0.27 0.00 -1.96 -3.29 103.07 97.90 2kum h GLY 36 Ca 0.00 0.31 -0.23 0.00 0.00 0.00 0.00 47.33 47.41 2kum h GLY 36 CO 0.00 -0.23 -1.20 -0.55 0.00 0.00 0.00 176.54 174.56 2kum h ASP 37 N -0.52 0.24 -2.44 0.19 3.32 -1.91 -3.48 116.42 111.82 2kum h ASP 37 Ca 0.01 -0.79 -0.06 0.00 0.02 0.00 0.00 57.03 56.20 2kum h ASP 37 Cb 0.51 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2kum h ASP 37 CO -0.10 1.51 0.10 0.00 -1.72 0.00 0.00 179.24 179.03 2kum n HIS 39 N -0.34 0.10 -4.10 0.00 -0.00 -1.26 -1.09 115.22 108.53 2kum n HIS 39 Ca -0.04 -0.05 -0.16 0.00 0.46 0.00 0.00 57.72 57.93 2kum n HIS 39 Cb 0.36 -0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.08 2kum n HIS 39 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2kum s LEU 40 N -0.99 1.75 -0.26 0.27 0.20 -1.26 -4.78 118.68 113.61 2kum s LEU 40 Ca 0.05 -0.08 -0.17 0.00 0.69 0.00 0.00 54.13 54.62 2kum s LEU 40 Cb 0.02 -0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 45.49 2kum s LEU 40 CO 0.03 0.01 0.47 -1.58 -0.29 0.00 0.00 176.35 175.00 2kum s GLN 41 N 0.25 4.07 -0.11 1.98 0.74 -1.25 -4.18 119.66 121.15 2kum s GLN 41 Ca -0.02 0.25 -0.10 0.00 0.05 0.00 0.00 55.36 55.53 2kum s GLN 41 Cb -0.06 -3.64 0.03 0.00 1.10 0.00 0.00 33.01 30.44 2kum s GLN 41 CO -0.00 -0.31 0.29 0.00 -0.55 0.00 0.00 175.29 174.72 2kum s ALA 42 N 2.17 -0.72 -0.37 1.58 0.00 -0.47 -4.53 121.76 119.41 2kum s ALA 42 Ca 0.20 0.80 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 2kum s ALA 42 Cb -0.16 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2kum s ALA 42 CO 0.09 -0.14 0.63 -0.06 0.00 0.00 0.00 175.76 176.28 2kum s PHE 43 N 0.10 3.13 -0.20 0.00 0.08 0.03 0.31 117.98 121.43 2kum s PHE 43 Ca -0.01 0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.24 2kum s PHE 43 Cb -0.02 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 2kum s PHE 43 CO 0.01 -0.68 0.00 0.08 -0.10 0.00 0.00 175.22 174.53 2kum s VAL 44 N 2.72 3.98 -0.23 -0.44 1.01 0.79 -1.41 120.40 126.81 2kum s VAL 44 Ca 0.24 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 2kum s VAL 44 Cb -0.14 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2kum s VAL 44 CO 0.16 0.43 0.49 -0.76 0.00 0.00 0.00 175.10 175.42 2kum s LEU 45 N 0.94 4.09 -0.49 3.92 1.43 -0.59 -0.78 118.68 127.21 2kum s LEU 45 Ca 0.01 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.54 2kum s LEU 45 Cb -0.14 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.54 2kum s LEU 45 CO 0.02 -0.22 0.40 -2.28 0.23 0.00 0.00 176.35 174.49 2kum s HIS 46 N 1.96 3.31 0.66 0.29 2.46 0.02 -1.81 115.29 122.18 2kum s HIS 46 Ca 0.21 -1.42 -0.09 0.00 0.47 0.00 0.00 55.06 54.23 2kum s HIS 46 Cb -0.15 -3.45 0.02 0.00 -0.13 0.00 0.00 32.58 28.87 2kum s HIS 46 CO 0.09 -0.94 1.01 -0.51 -2.47 0.00 0.00 174.74 171.92 2kum s LEU 47 N 1.51 3.02 0.01 8.88 1.02 0.71 -1.37 118.68 132.47 2kum s LEU 47 Ca 0.04 0.89 0.17 0.00 0.02 0.00 0.00 54.13 55.25 2kum s LEU 47 Cb -0.27 -3.68 0.74 0.00 0.02 0.00 0.00 46.19 43.01 2kum s LEU 47 CO 0.03 -1.26 1.56 0.00 0.02 0.00 0.00 176.35 176.69 2kum n ALA 48 N -2.83 1.78 -0.12 4.21 0.00 -0.64 -2.72 120.51 120.19 2kum n ALA 48 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kum n ALA 48 Cb 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.53 2.67 -3.94 0.00 3.00 -1.26 -5.10 117.38 111.22 2kum n GLN 49 Ca 0.04 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 2kum n GLN 49 Cb 0.20 -0.53 -0.08 0.00 0.00 0.00 0.00 30.24 29.84 2kum n GLN 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kum s ARG 50 N -0.42 0.87 -0.05 -1.09 0.52 -1.10 -5.12 118.95 112.56 2kum s ARG 50 Ca 0.00 -1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 2kum s ARG 50 Cb 0.00 0.32 0.03 0.00 0.52 0.00 0.00 34.95 35.82 2kum s ARG 50 CO 0.00 -0.27 0.01 -1.12 0.02 0.00 0.00 175.30 173.94 2kum s SER 51 N -2.91 1.12 -0.05 0.23 0.01 -1.26 -0.20 113.70 110.65 2kum s SER 51 Ca 0.09 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.39 2kum s SER 51 Cb 0.05 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2kum s SER 51 CO -0.08 -0.17 -0.25 -0.63 0.41 0.00 0.00 173.24 172.52 2kum s ILE 52 N 1.70 2.02 -0.28 1.44 1.01 -0.75 -4.52 121.20 121.83 2kum s ILE 52 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 2kum s ILE 52 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2kum s ILE 52 CO -0.03 0.57 0.18 0.00 0.00 0.00 0.00 174.94 175.65 2kum s ILE 54 N 1.70 2.06 0.03 0.00 1.01 -0.50 -0.58 121.20 124.91 2kum s ILE 54 Ca 0.07 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 2kum s ILE 54 Cb -0.16 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2kum s ILE 54 CO 0.10 0.48 1.09 -2.28 0.00 0.00 0.00 174.94 174.33 2kum s HIS 55 N -0.69 3.55 0.25 3.97 5.65 -1.26 -0.79 115.29 125.96 2kum s HIS 55 Ca 0.11 1.49 -0.02 0.00 0.25 0.00 0.00 55.06 56.89 2kum s HIS 55 Cb -0.10 -3.28 0.53 0.00 -1.18 0.00 0.00 32.58 28.56 2kum s HIS 55 CO 0.00 -0.67 1.32 -2.30 -0.65 0.00 0.00 174.74 172.45 2kum n PRO 56 N 3.89 -0.07 -1.14 2.88 -0.02 -1.26 -0.92 135.00 138.35 2kum n PRO 56 Ca 0.07 1.29 -0.22 0.00 -2.02 0.00 0.00 63.50 62.63 2kum n PRO 56 Cb 0.49 -2.00 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 2kum n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kum n GLN 57 N -5.29 2.61 -3.86 -0.52 1.13 -1.26 -4.78 117.38 105.41 2kum n GLN 57 Ca 0.17 -1.49 -0.36 0.00 -1.94 0.00 0.00 57.00 53.39 2kum n GLN 57 Cb 0.55 -2.27 -0.13 0.00 0.11 0.00 0.00 30.24 28.49 2kum n GLN 57 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2kum s ASN 58 N 1.96 4.89 0.60 1.08 0.02 -0.10 -4.96 114.94 118.43 2kum s ASN 58 Ca 0.67 -1.03 0.29 0.00 -1.02 0.00 0.00 52.86 51.78 2kum s ASN 58 Cb 0.28 -1.77 1.59 0.00 0.02 0.00 0.00 41.25 41.36 2kum s ASN 58 CO -0.03 -0.23 1.99 -0.65 0.02 0.00 0.00 177.10 178.20 2kum h PRO 59 N 8.10 0.00 -0.90 -0.60 0.11 -1.89 0.14 132.00 136.96 2kum h PRO 59 Ca -0.27 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.98 2kum h PRO 59 Cb 1.09 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 2kum h PRO 59 CO 0.57 0.00 0.51 0.77 -0.21 0.00 0.00 178.00 179.65 2kum h SER 60 N 0.00 0.69 -0.15 -2.05 0.02 -1.94 0.41 113.55 110.54 2kum h SER 60 Ca 0.13 0.07 -0.21 0.00 -0.84 0.00 0.00 61.79 60.94 2kum h SER 60 Cb 0.82 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.31 2kum h SER 60 CO -0.00 0.33 -0.72 0.25 -1.14 0.00 0.00 176.83 175.56 2kum h LEU 61 N 0.77 0.89 -0.33 5.07 7.12 -1.08 -1.37 115.31 126.39 2kum h LEU 61 Ca 0.47 -0.63 -0.12 0.00 0.13 0.00 0.00 57.88 57.73 2kum h LEU 61 Cb 0.57 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 2kum h LEU 61 CO -0.31 1.37 -0.25 -1.28 -0.13 0.00 0.00 178.44 177.84 2kum h SER 62 N 0.46 0.79 0.17 1.25 0.87 -1.41 -2.16 113.55 113.52 2kum h SER 62 Ca -0.05 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 2kum h SER 62 Cb 1.35 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2kum h SER 62 CO 0.15 1.06 -0.14 -0.61 -0.53 0.00 0.00 176.83 176.76 2kum h GLN 63 N 0.52 0.00 -0.31 2.24 4.15 -0.20 -1.38 115.11 120.14 2kum h GLN 63 Ca 0.06 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 2kum h GLN 63 Cb 0.81 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2kum h GLN 63 CO 0.07 0.14 -0.42 2.35 -1.93 0.00 0.00 178.83 179.04 2kum h TRP 64 N 0.00 0.91 -0.93 3.99 -0.00 -0.72 -0.53 115.95 118.67 2kum h TRP 64 Ca -0.00 -0.28 0.12 0.00 -0.00 0.00 0.00 58.89 58.73 2kum h TRP 64 Cb 0.26 -0.19 -0.07 0.00 -0.00 0.00 0.00 29.16 29.16 2kum h TRP 64 CO 0.00 1.04 0.59 0.74 -0.00 0.00 0.00 178.44 180.82 2kum h PHE 65 N 0.61 0.97 0.09 2.65 0.04 -0.64 0.94 116.94 121.61 2kum h PHE 65 Ca 0.05 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 2kum h PHE 65 Cb 0.97 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.82 2kum h PHE 65 CO 0.05 0.39 -0.04 0.93 -0.60 0.00 0.00 178.31 179.04 2kum h GLU 66 N 0.85 -0.12 -0.02 1.51 5.08 -1.32 -2.95 114.58 117.61 2kum h GLU 66 Ca 0.45 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 2kum h GLU 66 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kum h GLU 66 CO -0.22 0.31 -0.47 0.45 -1.00 0.00 0.00 179.01 178.08 2kum h HIS 67 N -0.60 0.06 -0.00 4.33 3.86 -0.05 -2.23 115.15 120.51 2kum h HIS 67 Ca -0.01 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.03 2kum h HIS 67 Cb 0.49 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 2kum h HIS 67 CO 0.07 0.51 -0.70 -0.56 0.86 0.00 0.00 177.93 178.12 2kum h GLN 68 N 0.04 0.02 -0.14 2.45 3.07 0.77 -2.11 115.11 119.21 2kum h GLN 68 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2kum h GLN 68 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.40 2kum h GLN 68 CO 0.06 0.71 0.09 1.49 0.09 0.00 0.00 178.83 181.27 2kum h GLU 69 N 0.01 0.19 -0.51 0.06 4.81 -1.22 -1.28 114.58 116.64 2kum h GLU 69 Ca -0.01 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.90 2kum h GLU 69 Cb 1.23 -0.04 -0.19 0.00 0.63 0.00 0.00 28.75 30.38 2kum h GLU 69 CO 0.09 0.13 -0.08 2.89 -0.73 0.00 0.00 179.01 181.31 2kum n ARG 70 N -4.51 2.22 0.00 1.92 1.85 -1.03 -4.72 116.66 112.39 2kum n ARG 70 Ca -0.01 -3.36 0.00 0.00 -1.00 0.00 0.00 57.85 53.48 2kum n ARG 70 Cb 0.08 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 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 -1.04 1.88 -0.61 2.89 3.00 -0.48 -5.01 118.16 118.78 2kum n LYS 71 Ca 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.57 2kum n LYS 71 Cb 1.02 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.97 2kum n LYS 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kum n LEU 72 N 0.00 -0.17 0.00 3.14 -0.00 -1.26 -2.28 117.00 116.43 2kum n LEU 72 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2kum n LEU 72 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 2kum n LEU 72 CO 0.00 -0.41 0.00 1.41 -0.00 0.00 0.00 177.39 178.39 2kum n HIS 73 N 3.44 0.00 0.00 1.47 8.25 -1.26 -3.81 115.22 123.30 2kum n HIS 73 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2kum n HIS 73 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kum n GLY 74 N 0.00 0.92 3.82 -1.41 0.00 -0.96 -5.08 105.19 102.48 2kum n GLY 74 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.10 4.56 0.05 2.61 -4.23 -1.25 -4.95 115.64 110.33 2kum s THR 75 Ca 0.00 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 2kum s THR 75 Cb 0.00 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2kum s THR 75 CO 0.00 0.10 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.38 2kum s LEU 76 N -2.24 2.40 0.00 4.79 1.43 -1.26 -5.01 118.68 118.79 2kum s LEU 76 Ca 0.47 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2kum s LEU 76 Cb -0.15 0.07 0.08 0.00 0.03 0.00 0.00 46.19 46.22 2kum s LEU 76 CO 0.20 -0.45 0.52 -0.81 0.23 0.00 0.00 176.35 176.05 2kum n PRO 77 N 0.62 -0.01 -1.67 1.29 -0.04 -1.26 -4.95 135.00 128.97 2kum n PRO 77 Ca -0.17 -1.18 -0.41 0.00 -0.04 0.00 0.00 63.50 61.70 2kum n PRO 77 Cb 0.59 -0.42 -0.01 0.00 -0.04 0.00 0.00 33.50 33.62 2kum n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kum n LYS 78 N -2.01 3.57 -0.34 0.54 5.02 -1.26 -4.43 118.16 119.25 2kum n LYS 78 Ca 0.08 -2.68 0.07 0.00 -2.02 0.00 0.00 58.31 53.76 2kum n LYS 78 Cb 0.28 -2.94 0.22 0.00 -0.02 0.00 0.00 35.03 32.56 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kum n LEU 79 N 4.11 3.51 -3.90 -0.35 -0.00 -1.26 -4.97 117.00 114.15 2kum n LEU 79 Ca 0.63 -2.52 -0.25 0.00 -0.00 0.00 0.00 56.01 53.87 2kum n LEU 79 Cb 0.30 -0.40 -0.01 0.00 -0.00 0.00 0.00 43.42 43.31 2kum n LEU 79 CO 0.84 0.71 -0.19 0.59 -0.00 0.00 0.00 177.39 179.33 2kum n ASN 80 N 0.05 -0.56 0.16 1.45 3.02 -1.26 -4.83 115.26 113.29 2kum n ASN 80 Ca 0.17 -0.96 0.12 0.00 -0.03 0.00 0.00 54.58 53.88 2kum n ASN 80 Cb 0.68 -3.27 0.57 0.00 -0.61 0.00 0.00 39.78 37.15 2kum n ASN 80 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2kum h PHE 81 N -1.84 0.00 -0.91 3.10 -0.00 -1.93 -2.29 116.94 113.07 2kum h PHE 81 Ca -0.63 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 57.40 2kum h PHE 81 Cb 1.37 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.26 2kum h PHE 81 CO 0.49 0.00 0.59 0.78 -0.00 0.00 0.00 178.31 180.17 2kum h GLY 82 N 1.08 1.32 2.00 6.09 0.00 -1.99 -0.85 103.07 110.71 2kum h GLY 82 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2kum h GLY 82 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 176.54 176.87 2kum h MET 83 N 1.06 0.00 0.00 4.80 -0.00 -1.78 -3.09 114.93 115.92 2kum h MET 83 Ca 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 60.05 2kum h MET 83 Cb 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.67 2kum h MET 83 CO -0.14 0.00 -0.45 1.28 -0.00 0.00 0.00 176.91 177.61 2kum n LEU 84 N -2.39 1.90 -4.03 -0.10 4.77 -0.41 -4.58 117.00 112.16 2kum n LEU 84 Ca 0.02 -2.90 -0.40 0.00 -0.03 0.00 0.00 56.01 52.70 2kum n LEU 84 Cb 0.24 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2kum n LEU 84 CO 0.21 0.87 2.11 0.54 -1.33 0.00 0.00 177.39 179.79 2kum n ARG 85 N -0.77 2.20 -1.45 3.23 1.74 -0.71 -3.93 116.66 116.98 2kum n ARG 85 Ca 0.13 -2.45 -0.16 0.00 -0.77 0.00 0.00 57.85 54.61 2kum n ARG 85 Cb 0.76 -3.30 -0.07 0.00 -1.02 0.00 0.00 32.46 28.84 2kum n ARG 85 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kum n LYS 86 N 7.30 -1.33 0.20 5.56 3.00 -1.26 -4.83 118.16 126.79 2kum n LYS 86 Ca 0.49 1.04 0.12 0.00 -0.00 0.00 0.00 58.31 59.96 2kum n LYS 86 Cb 0.42 -5.32 0.20 0.00 0.00 0.00 0.00 35.03 30.34 2kum n LYS 86 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 2kum h MET 87 N 0.02 0.00 -0.01 1.64 2.86 -1.81 -3.52 114.93 114.11 2kum h MET 87 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2kum h MET 87 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2kum h MET 87 CO 0.47 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.85