#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 1.19 -0.38 -2.13 2.96 -1.26 -4.98 118.68 114.08 2kum s LEU 2 Ca 0.00 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 2kum s LEU 2 Cb 0.00 0.33 0.00 0.00 0.50 0.00 0.00 46.19 47.02 2kum s LEU 2 CO 0.00 -0.09 1.47 -0.76 -1.32 0.00 0.00 176.35 175.64 2kum s LEU 3 N 0.61 3.62 0.26 -0.68 2.01 -1.26 -4.97 118.68 118.27 2kum s LEU 3 Ca -0.05 0.98 -0.30 0.00 0.01 0.00 0.00 54.13 54.77 2kum s LEU 3 Cb -0.06 -3.54 -0.13 0.00 0.01 0.00 0.00 46.19 42.47 2kum s LEU 3 CO -0.03 -1.42 1.43 -2.65 1.01 0.00 0.00 176.35 174.69 2kum n PRO 4 N 8.02 2.18 -1.64 1.29 -0.02 -1.22 -4.82 135.00 138.79 2kum n PRO 4 Ca 0.17 0.77 -0.49 0.00 -2.02 0.00 0.00 63.50 61.94 2kum n PRO 4 Cb 0.47 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 2kum n PRO 4 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kum n PRO 5 N 1.84 1.90 -2.34 0.52 -0.04 -1.26 -0.13 135.00 135.49 2kum n PRO 5 Ca 0.10 0.66 -0.16 0.00 -0.04 0.00 0.00 63.50 64.07 2kum n PRO 5 Cb 0.33 -2.63 -0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kum n SER 6 N 7.57 -4.69 -3.01 3.54 7.64 -1.26 -4.93 113.62 118.49 2kum n SER 6 Ca 0.27 -0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.94 2kum n SER 6 Cb 0.29 -3.79 -0.02 0.00 -1.01 0.00 0.00 64.21 59.67 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 -4.03 -0.40 -3.86 0.44 -1.04 0.82 -5.08 114.28 101.12 2kum n THR 7 Ca -0.18 -2.97 -0.31 0.00 -2.04 0.00 0.00 64.05 58.55 2kum n THR 7 Cb 0.64 -0.50 -0.12 0.00 -1.82 0.00 0.00 70.33 68.53 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 -0.42 3.58 -1.12 2.41 0.00 -1.25 -3.45 121.76 121.50 2kum s ALA 8 Ca 0.34 -3.47 -0.20 0.00 0.00 0.00 0.00 51.96 48.63 2kum s ALA 8 Cb 0.20 -2.33 0.08 0.00 0.00 0.00 0.00 23.12 21.07 2kum s ALA 8 CO -0.17 -2.07 1.49 0.00 0.00 0.00 0.00 175.76 175.02 2kum n THR 11 N 4.02 0.69 -3.85 0.00 5.66 -1.26 -4.92 114.28 114.62 2kum n THR 11 Ca 0.14 -0.74 -0.12 0.00 -3.05 0.00 0.00 64.05 60.28 2kum n THR 11 Cb 0.39 0.57 -0.11 0.00 -1.55 0.00 0.00 70.33 69.63 2kum n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kum s GLN 12 N -0.82 0.38 -0.08 1.09 1.03 -1.26 -5.15 119.66 114.84 2kum s GLN 12 Ca 0.04 -0.15 -0.00 0.00 0.04 0.00 0.00 55.36 55.29 2kum s GLN 12 Cb 0.04 0.16 0.02 0.00 0.03 0.00 0.00 33.01 33.26 2kum s GLN 12 CO 0.00 -0.08 -0.05 -0.51 -2.54 0.00 0.00 175.29 172.12 2kum s LEU 13 N -0.81 1.03 0.09 2.60 1.43 -1.26 -4.75 118.68 117.01 2kum s LEU 13 Ca -0.09 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 2kum s LEU 13 Cb -0.05 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.41 2kum s LEU 13 CO 0.01 -0.12 1.72 0.22 0.23 0.00 0.00 176.35 178.41 2kum h TYR 14 N 7.96 -0.11 -1.74 0.29 3.20 -1.48 -3.47 116.97 121.62 2kum h TYR 14 Ca -0.28 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.26 2kum h TYR 14 Cb 1.14 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 2kum h TYR 14 CO 0.48 -0.07 -0.38 -2.13 -1.64 0.00 0.00 178.16 174.42 2kum n ARG 15 N -5.15 -1.28 -4.03 1.82 0.63 -1.26 -4.98 116.66 102.42 2kum n ARG 15 Ca -0.07 0.93 -0.08 0.00 -0.92 0.00 0.00 57.85 57.72 2kum n ARG 15 Cb 0.08 -5.28 -0.10 0.00 0.45 0.00 0.00 32.46 27.60 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2kum s LYS 16 N -4.25 0.46 0.40 -0.14 -0.14 -1.26 -5.09 119.74 109.72 2kum s LYS 16 Ca 0.00 -0.91 -0.26 0.00 -1.36 0.00 0.00 55.97 53.44 2kum s LYS 16 Cb 0.00 0.16 -0.09 0.00 -1.68 0.00 0.00 37.83 36.22 2kum s LYS 16 CO 0.00 -0.08 1.35 -1.25 -0.76 0.00 0.00 175.35 174.61 2kum s PRO 17 N -2.67 3.96 0.40 -1.68 0.04 -1.26 -4.85 135.00 128.95 2kum s PRO 17 Ca -0.05 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.31 2kum s PRO 17 Cb -0.01 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2kum s PRO 17 CO -0.05 -0.54 0.57 -0.51 0.04 0.00 0.00 177.00 176.51 2kum s LEU 18 N -2.39 3.74 -0.13 -3.56 1.43 -1.26 -5.08 118.68 111.43 2kum s LEU 18 Ca 0.56 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 2kum s LEU 18 Cb -0.40 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kum s LEU 18 CO 0.52 -0.66 0.17 -0.44 0.23 0.00 0.00 176.35 176.18 2kum s SER 19 N -4.26 6.40 0.50 2.29 0.01 -1.26 -4.98 113.70 112.39 2kum s SER 19 Ca 0.50 0.47 0.22 0.00 1.31 0.00 0.00 55.95 58.44 2kum s SER 19 Cb -0.10 -2.10 1.31 0.00 0.21 0.00 0.00 66.02 65.34 2kum s SER 19 CO 0.34 0.33 2.07 0.44 0.41 0.00 0.00 173.24 176.83 2kum h ASP 20 N 5.43 0.00 -0.27 2.44 3.32 -1.99 0.20 116.42 125.55 2kum h ASP 20 Ca -0.51 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.60 2kum h ASP 20 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 2kum h ASP 20 CO 0.63 0.12 -0.04 0.11 -1.72 0.00 0.00 179.24 178.34 2kum h LYS 21 N 0.00 0.03 0.01 3.56 1.57 -2.01 -0.32 116.57 119.41 2kum h LYS 21 Ca -0.00 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2kum h LYS 21 Cb 0.26 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.57 2kum h LYS 21 CO 0.02 0.02 -0.98 1.37 -0.57 0.00 0.00 179.45 179.31 2kum h LEU 22 N 0.03 0.58 -1.07 2.94 8.10 -1.89 -3.36 115.31 120.64 2kum h LEU 22 Ca 0.13 -0.48 -0.04 0.00 0.11 0.00 0.00 57.88 57.60 2kum h LEU 22 Cb 0.19 -0.18 -0.03 0.00 -0.44 0.00 0.00 40.66 40.21 2kum h LEU 22 CO -0.26 1.28 0.18 0.25 -4.11 0.00 0.00 178.44 175.78 2kum h LEU 23 N 0.24 0.77 -0.42 0.17 5.85 -0.31 -0.47 115.31 121.15 2kum h LEU 23 Ca -0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kum h LEU 23 Cb 1.62 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2kum h LEU 23 CO 0.17 0.73 0.00 -2.11 -0.34 0.00 0.00 178.44 176.89 2kum n ARG 24 N -4.30 0.06 -0.51 1.25 1.85 -0.19 -1.50 116.66 113.32 2kum n ARG 24 Ca 0.04 0.44 0.10 0.00 -1.00 0.00 0.00 57.85 57.43 2kum n ARG 24 Cb 0.20 -1.66 0.34 0.00 -1.05 0.00 0.00 32.46 30.28 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 -1.79 3.37 -2.38 2.89 5.02 -0.19 -4.18 118.16 120.91 2kum n LYS 25 Ca 0.01 -2.78 -0.36 0.00 -2.02 0.00 0.00 58.31 53.16 2kum n LYS 25 Cb 0.10 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.33 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 -1.57 3.39 -0.07 -0.18 1.01 -0.56 -2.18 120.40 120.25 2kum s VAL 26 Ca 0.49 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2kum s VAL 26 Cb 0.30 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 2kum s VAL 26 CO 0.27 -0.08 -0.03 2.30 0.00 0.00 0.00 175.10 177.56 2kum n ILE 27 N -0.62 0.42 -4.02 2.22 -5.35 0.81 -4.80 119.36 108.02 2kum n ILE 27 Ca 0.08 -0.20 -0.08 0.00 -0.27 0.00 0.00 62.75 62.28 2kum n ILE 27 Cb 0.50 -0.80 -0.10 0.00 -1.74 0.00 0.00 39.64 37.50 2kum n ILE 27 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2kum s GLN 28 N -2.15 0.59 -0.18 6.28 -1.52 -1.01 -4.82 119.66 116.85 2kum s GLN 28 Ca -0.07 -1.02 0.01 0.00 -1.95 0.00 0.00 55.36 52.33 2kum s GLN 28 Cb 0.02 0.21 0.02 0.00 -0.22 0.00 0.00 33.01 33.04 2kum s GLN 28 CO 0.20 -0.12 -0.19 0.08 -0.25 0.00 0.00 175.29 175.01 2kum s VAL 29 N -3.32 2.16 -0.23 1.09 1.01 -1.26 -1.61 120.40 118.24 2kum s VAL 29 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2kum s VAL 29 Cb 0.03 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.56 2kum s VAL 29 CO -0.08 0.53 -0.08 -1.83 0.00 0.00 0.00 175.10 173.65 2kum s GLU 30 N 1.22 1.86 -0.10 2.72 -1.05 -0.13 -5.01 118.70 118.22 2kum s GLU 30 Ca 0.03 -1.03 -0.20 0.00 -0.15 0.00 0.00 54.97 53.63 2kum s GLU 30 Cb -0.13 -2.61 -0.04 0.00 -0.44 0.00 0.00 34.13 30.91 2kum s GLU 30 CO -0.10 -0.55 0.55 -0.48 0.95 0.00 0.00 175.26 175.62 2kum s LEU 31 N 1.33 4.29 -0.56 1.83 2.34 -1.26 0.35 118.68 126.99 2kum s LEU 31 Ca -0.05 0.93 -0.28 0.00 0.06 0.00 0.00 54.13 54.79 2kum s LEU 31 Cb -0.18 -2.81 0.02 0.00 -0.56 0.00 0.00 46.19 42.65 2kum s LEU 31 CO -0.06 -0.03 1.35 -1.58 -1.06 0.00 0.00 176.35 174.96 2kum s GLN 32 N 0.67 3.37 0.18 1.48 0.74 0.13 -4.93 119.66 121.30 2kum s GLN 32 Ca 0.29 0.40 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 2kum s GLN 32 Cb -0.16 -4.09 -0.08 0.00 1.10 0.00 0.00 33.01 29.78 2kum s GLN 32 CO 0.13 -1.85 1.18 -1.21 -0.55 0.00 0.00 175.29 172.99 2kum s GLU 33 N 5.33 4.51 0.00 1.67 2.02 -1.26 -1.99 118.70 128.97 2kum s GLU 33 Ca 0.49 1.84 0.03 0.00 0.02 0.00 0.00 54.97 57.36 2kum s GLU 33 Cb -0.10 -3.25 0.17 0.00 0.10 0.00 0.00 34.13 31.05 2kum s GLU 33 CO 0.25 -0.07 0.57 0.00 0.02 0.00 0.00 175.26 176.04 2kum n ALA 34 N 2.56 1.91 0.00 5.21 0.00 -1.06 -1.97 120.51 127.16 2kum n ALA 34 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2kum n ALA 34 Cb 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2kum n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kum n ASP 35 N -0.62 0.00 0.07 0.00 5.75 -1.03 -3.47 116.55 117.26 2kum n ASP 35 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.75 2kum n ASP 35 Cb 0.01 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.24 2kum n ASP 35 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2kum h GLY 36 N 0.00 0.33 0.00 6.12 0.00 -1.94 -3.39 103.07 104.19 2kum h GLY 36 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 47.33 46.75 2kum h GLY 36 CO 0.00 0.33 -1.66 1.34 0.00 0.00 0.00 176.54 176.55 2kum n ASP 37 N -3.93 0.94 -3.55 0.19 -0.08 -0.97 -4.95 116.55 104.20 2kum n ASP 37 Ca -0.02 0.16 -0.07 0.00 -1.51 0.00 0.00 54.79 53.35 2kum n ASP 37 Cb 0.57 -0.39 -0.02 0.00 2.34 0.00 0.00 41.12 43.63 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kum n HIS 39 N -0.25 3.49 0.00 0.00 -0.00 -1.26 -2.45 115.22 114.75 2kum n HIS 39 Ca -0.07 -2.15 0.00 0.00 0.46 0.00 0.00 57.72 55.96 2kum n HIS 39 Cb 0.61 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 2kum n HIS 39 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kum n LEU 40 N 10.81 0.00 -4.30 0.27 7.94 -1.23 -4.98 117.00 125.51 2kum n LEU 40 Ca 0.47 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 55.03 2kum n LEU 40 Cb 0.45 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.26 2kum n LEU 40 CO 0.76 0.00 -0.41 -1.58 -1.11 0.00 0.00 177.39 175.05 2kum s GLN 41 N -2.00 3.34 0.34 1.96 0.74 -1.25 -2.55 119.66 120.24 2kum s GLN 41 Ca 0.00 -0.65 -0.12 0.00 0.05 0.00 0.00 55.36 54.63 2kum s GLN 41 Cb 0.00 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.24 2kum s GLN 41 CO 0.00 -0.12 0.65 0.00 -0.55 0.00 0.00 175.29 175.27 2kum s ALA 42 N 1.24 -0.33 -0.21 1.58 0.00 -0.84 -4.60 121.76 118.60 2kum s ALA 42 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kum s ALA 42 Cb -0.14 0.89 0.05 0.00 0.00 0.00 0.00 23.12 23.92 2kum s ALA 42 CO -0.03 -0.92 -0.06 -0.06 0.00 0.00 0.00 175.76 174.69 2kum s PHE 43 N -2.99 2.20 -0.16 0.00 0.40 -0.46 0.20 117.98 117.17 2kum s PHE 43 Ca 0.20 -1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 54.92 2kum s PHE 43 Cb -0.03 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2kum s PHE 43 CO 0.13 -0.73 0.05 0.08 0.70 0.00 0.00 175.22 175.45 2kum s VAL 44 N 1.46 4.70 -0.27 -0.44 1.01 0.15 -0.19 120.40 126.84 2kum s VAL 44 Ca -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2kum s VAL 44 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2kum s VAL 44 CO -0.07 0.50 0.11 -0.76 0.00 0.00 0.00 175.10 174.89 2kum s LEU 45 N 0.02 3.70 -0.45 3.92 1.43 0.60 -0.95 118.68 126.94 2kum s LEU 45 Ca 0.05 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2kum s LEU 45 Cb -0.12 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.21 2kum s LEU 45 CO 0.01 -0.07 0.33 -2.28 0.23 0.00 0.00 176.35 174.57 2kum s HIS 46 N 1.64 3.32 0.55 0.29 2.46 -0.63 -1.18 115.29 121.74 2kum s HIS 46 Ca 0.06 -1.43 -0.09 0.00 0.47 0.00 0.00 55.06 54.08 2kum s HIS 46 Cb -0.16 -3.20 -0.04 0.00 -0.13 0.00 0.00 32.58 29.05 2kum s HIS 46 CO 0.06 -0.88 0.92 -0.51 -2.47 0.00 0.00 174.74 171.85 2kum s LEU 47 N 1.48 3.44 0.00 8.88 1.02 0.82 -0.13 118.68 134.19 2kum s LEU 47 Ca 0.04 1.21 0.12 0.00 0.02 0.00 0.00 54.13 55.51 2kum s LEU 47 Cb -0.25 -4.21 0.63 0.00 0.02 0.00 0.00 46.19 42.38 2kum s LEU 47 CO 0.03 -0.72 1.22 0.00 0.02 0.00 0.00 176.35 176.90 2kum n ALA 48 N -2.44 1.78 -0.07 4.21 0.00 -0.93 -2.92 120.51 120.16 2kum n ALA 48 Ca 0.04 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2kum n ALA 48 Cb 0.54 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.18 0.31 -3.90 0.00 3.00 -1.26 -5.11 117.38 109.24 2kum n GLN 49 Ca 0.07 0.12 -0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2kum n GLN 49 Cb 0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 30.24 29.24 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 -2.26 1.94 -0.05 -1.09 3.03 -1.15 -5.06 118.95 114.32 2kum s ARG 50 Ca -0.19 -1.32 0.05 0.00 2.03 0.00 0.00 55.73 56.29 2kum s ARG 50 Cb 0.07 0.57 -0.01 0.00 -1.03 0.00 0.00 34.95 34.55 2kum s ARG 50 CO 0.26 -0.88 -0.20 -1.12 -1.13 0.00 0.00 175.30 172.24 2kum s SER 51 N -3.04 2.45 -0.11 -2.89 0.01 -1.26 -0.13 113.70 108.73 2kum s SER 51 Ca 0.17 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 2kum s SER 51 Cb -0.04 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 2kum s SER 51 CO 0.11 0.19 -0.02 -0.63 0.41 0.00 0.00 173.24 173.30 2kum s ILE 52 N -0.06 4.13 -0.21 1.44 1.09 -0.33 -4.81 121.20 122.45 2kum s ILE 52 Ca -0.03 -0.30 -0.09 0.00 -1.10 0.00 0.00 60.65 59.13 2kum s ILE 52 Cb -0.12 -2.76 -0.05 0.00 -1.06 0.00 0.00 42.46 38.48 2kum s ILE 52 CO 0.02 0.56 0.11 0.00 -0.10 0.00 0.00 174.94 175.54 2kum s ILE 54 N 0.65 3.51 0.23 0.00 1.01 0.74 -1.12 121.20 126.22 2kum s ILE 54 Ca 0.06 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 2kum s ILE 54 Cb -0.12 -2.47 -0.11 0.00 0.01 0.00 0.00 42.46 39.77 2kum s ILE 54 CO 0.01 0.55 1.55 -2.28 0.00 0.00 0.00 174.94 174.77 2kum s HIS 55 N -0.19 2.96 0.37 3.97 5.65 -1.26 -1.36 115.29 125.42 2kum s HIS 55 Ca 0.02 0.76 -0.27 0.00 0.25 0.00 0.00 55.06 55.83 2kum s HIS 55 Cb -0.13 -3.95 -0.12 0.00 -1.18 0.00 0.00 32.58 27.20 2kum s HIS 55 CO 0.03 -3.31 1.14 -2.30 -0.65 0.00 0.00 174.74 169.65 2kum n PRO 56 N 3.01 1.70 -1.11 2.88 -0.02 -1.26 -1.52 135.00 138.68 2kum n PRO 56 Ca 0.10 0.60 -0.04 0.00 -2.02 0.00 0.00 63.50 62.15 2kum n PRO 56 Cb 0.38 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.39 -0.41 -2.53 -0.52 3.00 -1.26 -5.02 117.38 111.04 2kum n GLN 57 Ca 0.07 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.17 2kum n GLN 57 Cb 0.37 -4.15 -0.03 0.00 0.00 0.00 0.00 30.24 26.43 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 -2.67 7.20 0.25 1.08 2.47 -0.57 -4.94 114.94 117.75 2kum s ASN 58 Ca 0.00 1.90 -0.07 0.00 0.42 0.00 0.00 52.86 55.11 2kum s ASN 58 Cb 0.00 -2.58 0.43 0.00 -1.45 0.00 0.00 41.25 37.66 2kum s ASN 58 CO 0.00 -0.37 1.63 1.55 -3.72 0.00 0.00 177.10 176.19 2kum h PRO 59 N 6.64 0.09 0.00 0.43 0.13 -1.95 0.15 132.00 137.50 2kum h PRO 59 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kum h PRO 59 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kum h PRO 59 CO 0.78 0.06 0.00 0.77 -0.23 0.00 0.00 178.00 179.39 2kum h SER 60 N 0.10 0.00 0.26 1.44 0.02 -1.92 -1.74 113.55 111.71 2kum h SER 60 Ca 0.41 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.02 2kum h SER 60 Cb 0.72 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.30 2kum h SER 60 CO -0.67 0.00 -1.48 0.25 -1.14 0.00 0.00 176.83 173.79 2kum h LEU 61 N 0.00 0.86 0.05 5.07 7.12 -1.34 -2.12 115.31 124.94 2kum h LEU 61 Ca 0.00 -0.91 -0.00 0.00 0.13 0.00 0.00 57.88 57.09 2kum h LEU 61 Cb 0.15 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 2kum h LEU 61 CO 0.00 1.71 -0.02 -1.28 -0.13 0.00 0.00 178.44 178.72 2kum h SER 62 N 0.16 -0.06 0.07 1.25 0.87 -1.32 -2.73 113.55 111.79 2kum h SER 62 Ca -0.26 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 59.87 2kum h SER 62 Cb 2.17 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 64.14 2kum h SER 62 CO 0.28 0.41 -0.04 0.06 -0.53 0.00 0.00 176.83 177.00 2kum h GLN 63 N -0.54 0.00 -0.81 2.24 3.07 -1.48 -1.42 115.11 116.17 2kum h GLN 63 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 2kum h GLN 63 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.00 2kum h GLN 63 CO 0.01 0.04 0.41 2.35 0.09 0.00 0.00 178.83 181.74 2kum h TRP 64 N 0.00 1.13 -0.62 0.06 -0.00 -1.08 0.45 115.95 115.89 2kum h TRP 64 Ca -0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.88 2kum h TRP 64 Cb 0.09 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 2kum h TRP 64 CO 0.00 0.80 0.41 0.74 -0.00 0.00 0.00 178.44 180.39 2kum h PHE 65 N 1.14 0.71 -0.02 2.65 -1.00 -1.05 0.85 116.94 120.22 2kum h PHE 65 Ca 0.28 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 61.00 2kum h PHE 65 Cb 0.07 -0.24 0.01 0.00 3.61 0.00 0.00 35.95 39.40 2kum h PHE 65 CO 0.01 0.42 -0.29 0.93 -1.61 0.00 0.00 178.31 177.77 2kum h GLU 66 N 0.74 0.23 -0.42 1.51 5.08 -1.21 -3.05 114.58 117.46 2kum h GLU 66 Ca 0.24 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2kum h GLU 66 Cb 0.05 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kum h GLU 66 CO -0.06 0.91 -0.19 0.45 -1.00 0.00 0.00 179.01 179.12 2kum h HIS 67 N -0.36 1.00 0.00 4.33 3.86 0.45 -2.56 115.15 121.87 2kum h HIS 67 Ca -0.03 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 58.88 2kum h HIS 67 Cb 1.00 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 2kum h HIS 67 CO 0.16 1.02 -0.25 -0.56 0.86 0.00 0.00 177.93 179.16 2kum h GLN 68 N 0.69 0.00 0.00 2.45 3.07 0.56 -0.46 115.11 121.42 2kum h GLN 68 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.83 2kum h GLN 68 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.31 2kum h GLN 68 CO 0.06 0.25 -0.05 1.49 0.09 0.00 0.00 178.83 180.67 2kum h GLU 69 N 0.00 0.00 -0.19 0.06 4.57 -1.34 -2.77 114.58 114.90 2kum h GLU 69 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kum h GLU 69 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2kum h GLU 69 CO 0.03 0.05 0.00 2.89 -1.18 0.00 0.00 179.01 180.80 2kum n ARG 70 N -4.42 2.79 0.00 1.92 1.85 -0.31 -4.96 116.66 113.52 2kum n ARG 70 Ca -0.03 -2.02 0.00 0.00 -1.00 0.00 0.00 57.85 54.80 2kum n ARG 70 Cb 0.13 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2kum n ARG 70 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 71 N -0.12 1.89 -3.89 2.89 5.02 -0.45 -4.94 118.16 118.56 2kum n LYS 71 Ca 0.09 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 2kum n LYS 71 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.48 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kum n LEU 72 N 0.00 -2.58 0.00 -0.35 4.32 -1.26 -2.13 117.00 115.00 2kum n LEU 72 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 56.01 55.15 2kum n LEU 72 Cb 0.00 -2.50 0.00 0.00 -1.62 0.00 0.00 43.42 39.30 2kum n LEU 72 CO 0.00 0.43 0.00 1.57 -1.22 0.00 0.00 177.39 178.17 2kum n HIS 73 N -4.50 0.00 -1.47 -1.77 -0.00 -1.26 -0.32 115.22 105.90 2kum n HIS 73 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.52 2kum n HIS 73 Cb 0.59 -1.21 -0.04 0.00 -0.00 0.00 0.00 29.99 29.33 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 -0.65 0.96 3.09 1.57 0.00 -0.91 -5.00 105.19 104.25 2kum n GLY 74 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2kum n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kum s THR 75 N -2.42 1.68 -0.11 2.61 2.01 0.57 -5.12 115.64 114.86 2kum s THR 75 Ca 0.00 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 2kum s THR 75 Cb 0.00 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 71.03 2kum s THR 75 CO 0.00 0.48 0.35 -0.22 -0.69 0.00 0.00 174.62 174.54 2kum s LEU 76 N 0.94 0.66 0.38 4.42 2.96 -1.26 -4.80 118.68 121.98 2kum s LEU 76 Ca -0.07 0.57 -0.26 0.00 -0.22 0.00 0.00 54.13 54.16 2kum s LEU 76 Cb -0.15 1.26 -0.09 0.00 0.50 0.00 0.00 46.19 47.71 2kum s LEU 76 CO -0.02 -0.21 1.13 -2.16 -1.32 0.00 0.00 176.35 173.77 2kum s PRO 77 N -0.19 4.18 -1.30 0.98 0.04 -1.26 -4.93 135.00 132.52 2kum s PRO 77 Ca -0.03 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 2kum s PRO 77 Cb -0.03 -2.73 0.05 0.00 0.04 0.00 0.00 34.50 31.83 2kum s PRO 77 CO 0.02 -0.19 1.81 1.17 0.04 0.00 0.00 177.00 179.85 2kum n LYS 78 N 0.23 2.99 -0.47 4.56 4.81 -1.26 -4.57 118.16 124.44 2kum n LYS 78 Ca 0.04 -3.11 0.11 0.00 -0.87 0.00 0.00 58.31 54.47 2kum n LYS 78 Cb 0.47 -3.49 0.34 0.00 0.02 0.00 0.00 35.03 32.37 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2kum n LEU 79 N 8.70 4.30 -3.02 3.14 -0.00 -1.26 -4.98 117.00 123.88 2kum n LEU 79 Ca 0.49 -2.16 -0.08 0.00 -0.00 0.00 0.00 56.01 54.26 2kum n LEU 79 Cb 0.45 -0.53 0.01 0.00 -0.00 0.00 0.00 43.42 43.35 2kum n LEU 79 CO 0.78 0.92 0.12 0.59 -0.00 0.00 0.00 177.39 179.81 2kum n ASN 80 N 1.48 -7.59 -0.20 1.45 3.02 -1.26 -4.86 115.26 107.30 2kum n ASN 80 Ca 0.25 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 2kum n ASN 80 Cb 0.73 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 2kum n ASN 80 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2kum n PHE 81 N -0.94 0.00 0.31 3.10 1.16 -1.26 -3.01 117.46 116.82 2kum n PHE 81 Ca 0.04 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.74 2kum n PHE 81 Cb 0.50 -0.04 0.21 0.00 -1.61 0.00 0.00 39.48 38.54 2kum n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2kum n GLY 82 N 0.26 1.71 0.30 4.97 0.00 -1.26 -4.05 105.19 107.13 2kum n GLY 82 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 1.47 1.85 -0.03 1.61 0.00 -1.16 -4.48 117.12 116.37 2kum n MET 83 Ca 0.19 -0.72 -0.00 0.00 0.00 0.00 0.00 57.70 57.17 2kum n MET 83 Cb 0.60 -1.19 -0.09 0.00 0.00 0.00 0.00 33.22 32.54 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 -0.18 0.00 -4.75 3.17 -0.00 -1.26 -4.83 117.00 109.15 2kum n LEU 84 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.66 2kum n LEU 84 Cb 0.28 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.82 2kum n LEU 84 CO 0.17 0.15 0.95 -0.13 -0.00 0.00 0.00 177.39 178.52 2kum s ARG 85 N -2.52 4.42 0.00 1.96 0.52 -1.26 -1.90 118.95 120.17 2kum s ARG 85 Ca -0.05 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.24 2kum s ARG 85 Cb 0.05 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2kum s ARG 85 CO 0.47 -0.14 0.00 1.63 0.02 0.00 0.00 175.30 177.27 2kum n LYS 86 N 1.63 -0.40 -0.08 3.54 4.76 -1.26 -4.78 118.16 121.58 2kum n LYS 86 Ca 0.02 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 2kum n LYS 86 Cb 0.43 -3.64 -0.14 0.00 -1.84 0.00 0.00 35.03 29.84 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 -1.63 0.68 0.00 1.97 2.81 -0.80 -5.23 117.12 114.91 2kum n MET 87 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2kum n MET 87 Cb 0.10 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89