#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 0.03 -0.38 -2.13 2.96 -1.26 -5.10 118.68 112.80 2kum s LEU 2 Ca 0.00 1.01 -0.28 0.00 -0.22 0.00 0.00 54.13 54.63 2kum s LEU 2 Cb 0.00 1.78 -0.01 0.00 0.50 0.00 0.00 46.19 48.46 2kum s LEU 2 CO 0.00 -0.20 1.65 -0.76 -1.32 0.00 0.00 176.35 175.72 2kum s LEU 3 N 0.19 3.52 0.07 -0.68 2.01 -1.26 -4.93 118.68 117.60 2kum s LEU 3 Ca -0.01 1.04 -0.35 0.00 0.01 0.00 0.00 54.13 54.82 2kum s LEU 3 Cb -0.04 -3.45 -0.15 0.00 0.01 0.00 0.00 46.19 42.57 2kum s LEU 3 CO 0.01 -1.65 1.55 -2.65 1.01 0.00 0.00 176.35 174.63 2kum n PRO 4 N 8.35 1.74 -1.68 1.29 -0.02 -1.26 -4.65 135.00 138.77 2kum n PRO 4 Ca 0.20 0.63 -0.45 0.00 -2.02 0.00 0.00 63.50 61.86 2kum n PRO 4 Cb 0.48 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.70 2.53 -1.15 0.52 -0.02 -1.26 -0.86 135.00 138.47 2kum n PRO 5 Ca 0.19 0.93 -0.05 0.00 -2.02 0.00 0.00 63.50 62.54 2kum n PRO 5 Cb 0.24 -2.81 -0.02 0.00 -0.02 0.00 0.00 33.50 30.89 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 6.42 -4.38 -4.03 2.55 7.64 -1.26 -4.95 113.62 115.61 2kum n SER 6 Ca 0.20 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.87 2kum n SER 6 Cb 0.35 -2.33 -0.10 0.00 -1.01 0.00 0.00 64.21 61.11 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kum s THR 7 N -1.93 3.43 -0.89 0.44 2.01 -0.04 -5.04 115.64 113.62 2kum s THR 7 Ca 0.00 -3.46 -0.22 0.00 0.31 0.00 0.00 61.69 58.32 2kum s THR 7 Cb 0.00 -3.24 0.08 0.00 0.01 0.00 0.00 72.50 69.35 2kum s THR 7 CO 0.00 -0.92 1.23 0.00 -0.69 0.00 0.00 174.62 174.24 2kum s ALA 8 N -0.62 3.01 -0.37 7.40 0.00 -1.26 -4.41 121.76 125.51 2kum s ALA 8 Ca 0.20 -2.24 0.02 0.00 0.00 0.00 0.00 51.96 49.94 2kum s ALA 8 Cb -0.16 -4.21 0.15 0.00 0.00 0.00 0.00 23.12 18.90 2kum s ALA 8 CO -0.06 -3.21 0.30 0.00 0.00 0.00 0.00 175.76 172.79 2kum n THR 11 N 4.75 0.92 -4.03 0.00 -2.24 -1.26 -4.86 114.28 107.56 2kum n THR 11 Ca -0.17 -0.68 -0.22 0.00 -2.27 0.00 0.00 64.05 60.70 2kum n THR 11 Cb 0.49 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.98 3.22 0.07 -0.78 1.03 -1.26 -5.13 119.66 113.82 2kum s GLN 12 Ca -0.06 -0.85 0.03 0.00 0.04 0.00 0.00 55.36 54.52 2kum s GLN 12 Cb 0.09 -2.76 -0.03 0.00 0.03 0.00 0.00 33.01 30.34 2kum s GLN 12 CO 0.84 0.43 -0.10 -0.51 -2.54 0.00 0.00 175.29 173.42 2kum s LEU 13 N -3.78 2.32 0.15 2.60 1.43 -1.26 -4.80 118.68 115.34 2kum s LEU 13 Ca 0.33 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 2kum s LEU 13 Cb -0.09 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 2kum s LEU 13 CO 0.27 -0.22 1.50 0.22 0.23 0.00 0.00 176.35 178.35 2kum h TYR 14 N 4.06 1.10 0.00 0.29 5.03 -0.54 -3.46 116.97 123.44 2kum h TYR 14 Ca -0.37 -0.32 0.00 0.00 2.58 0.00 0.00 58.73 60.62 2kum h TYR 14 Cb 1.19 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.24 2kum h TYR 14 CO 0.64 1.14 0.00 0.54 -1.32 0.00 0.00 178.16 179.15 2kum n ARG 15 N -4.06 0.00 -2.53 1.82 1.74 -1.26 -4.90 116.66 107.47 2kum n ARG 15 Ca -0.02 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.78 2kum n ARG 15 Cb 0.53 -0.10 -0.00 0.00 -1.02 0.00 0.00 32.46 31.87 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 3.58 0.59 5.56 -0.14 -1.26 -4.87 119.74 123.19 2kum s LYS 16 Ca 0.00 0.32 -0.19 0.00 -1.36 0.00 0.00 55.97 54.74 2kum s LYS 16 Cb 0.00 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 2kum s LYS 16 CO 0.00 -0.25 1.22 -2.14 -0.76 0.00 0.00 175.35 173.43 2kum s PRO 17 N -4.72 2.99 0.14 -1.68 0.02 -1.26 -5.04 135.00 125.44 2kum s PRO 17 Ca 0.49 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.41 2kum s PRO 17 Cb -0.10 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 2kum s PRO 17 CO 0.45 -1.21 0.26 -0.51 -0.33 0.00 0.00 177.00 175.66 2kum s LEU 18 N -4.00 4.29 0.17 -5.54 1.43 -1.26 -5.11 118.68 108.66 2kum s LEU 18 Ca 0.77 0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.93 2kum s LEU 18 Cb -0.32 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.97 2kum s LEU 18 CO 0.35 0.07 0.49 -0.44 0.23 0.00 0.00 176.35 177.04 2kum s SER 19 N -3.11 6.64 0.52 2.29 0.01 -1.26 -4.98 113.70 113.81 2kum s SER 19 Ca 0.34 0.86 0.23 0.00 1.31 0.00 0.00 55.95 58.69 2kum s SER 19 Cb -0.11 -2.20 1.36 0.00 0.21 0.00 0.00 66.02 65.27 2kum s SER 19 CO 0.28 0.03 2.03 0.44 0.41 0.00 0.00 173.24 176.43 2kum h ASP 20 N 3.01 0.02 -0.41 2.44 3.32 -1.99 -1.22 116.42 121.59 2kum h ASP 20 Ca -0.47 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 2kum h ASP 20 Cb 1.18 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 2kum h ASP 20 CO 0.69 0.01 0.24 0.11 -1.72 0.00 0.00 179.24 178.57 2kum h LYS 21 N 0.02 0.56 0.00 3.56 1.57 -2.01 -1.74 116.57 118.52 2kum h LYS 21 Ca 0.20 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 2kum h LYS 21 Cb 0.79 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2kum h LYS 21 CO -0.01 0.42 -0.74 1.37 -0.57 0.00 0.00 179.45 179.93 2kum h LEU 22 N 0.54 0.00 -1.81 2.94 8.10 -1.76 -3.26 115.31 120.06 2kum h LEU 22 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.10 2kum h LEU 22 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2kum h LEU 22 CO -0.03 0.74 -0.15 -0.07 -4.11 0.00 0.00 178.44 174.82 2kum h LEU 23 N 0.00 0.00 0.00 0.17 3.38 -0.49 -1.80 115.31 116.57 2kum h LEU 23 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kum h LEU 23 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2kum h LEU 23 CO 0.10 0.15 0.00 -2.11 0.09 0.00 0.00 178.44 176.67 2kum n ARG 24 N -3.90 0.11 0.00 1.13 1.85 -0.73 -1.17 116.66 113.96 2kum n ARG 24 Ca -0.02 0.22 0.06 0.00 -1.00 0.00 0.00 57.85 57.11 2kum n ARG 24 Cb 0.24 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.15 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 -1.34 1.88 -2.58 2.89 5.02 -0.68 -4.56 118.16 118.80 2kum n LYS 25 Ca 0.04 -0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 55.22 2kum n LYS 25 Cb 0.09 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.62 3.96 0.32 -0.18 1.01 -0.32 -4.19 120.40 119.39 2kum s VAL 26 Ca 0.11 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.38 2kum s VAL 26 Cb 0.10 -5.04 0.04 0.00 0.00 0.00 0.00 36.38 31.48 2kum s VAL 26 CO 0.33 -1.92 1.73 0.16 0.00 0.00 0.00 175.10 175.40 2kum h ILE 27 N 6.75 1.32 -3.57 2.22 3.07 -1.06 -3.46 117.51 122.78 2kum h ILE 27 Ca 0.20 -1.56 -0.07 0.00 1.55 0.00 0.00 64.86 64.97 2kum h ILE 27 Cb 1.01 1.79 -0.14 0.00 -0.27 0.00 0.00 36.82 39.21 2kum h ILE 27 CO 1.41 0.45 -0.23 -1.10 -1.05 0.00 0.00 178.15 177.64 2kum s GLN 28 N -4.04 0.93 -0.15 0.16 -0.21 -1.10 -4.62 119.66 110.64 2kum s GLN 28 Ca -0.03 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.56 2kum s GLN 28 Cb 0.14 0.40 -0.00 0.00 1.00 0.00 0.00 33.01 34.54 2kum s GLN 28 CO 0.75 -0.33 -0.15 0.08 -2.12 0.00 0.00 175.29 173.53 2kum s VAL 29 N -3.66 2.73 0.32 1.09 1.01 -1.26 -1.19 120.40 119.43 2kum s VAL 29 Ca 0.03 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2kum s VAL 29 Cb 0.03 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2kum s VAL 29 CO -0.10 0.51 0.03 -1.83 0.00 0.00 0.00 175.10 173.71 2kum s GLU 30 N 0.77 1.64 -0.06 2.72 -1.05 -0.59 -4.99 118.70 117.14 2kum s GLU 30 Ca -0.06 -1.89 -0.08 0.00 -0.15 0.00 0.00 54.97 52.79 2kum s GLU 30 Cb -0.15 -0.95 0.02 0.00 -0.44 0.00 0.00 34.13 32.61 2kum s GLU 30 CO 0.01 -0.14 0.20 -0.48 0.95 0.00 0.00 175.26 175.80 2kum s LEU 31 N -3.48 1.25 -0.31 1.83 2.34 -1.26 0.40 118.68 119.44 2kum s LEU 31 Ca 0.35 0.30 -0.25 0.00 0.06 0.00 0.00 54.13 54.59 2kum s LEU 31 Cb 0.08 0.73 0.00 0.00 -0.56 0.00 0.00 46.19 46.45 2kum s LEU 31 CO 0.15 -0.14 0.85 -1.58 -1.06 0.00 0.00 176.35 174.56 2kum s GLN 32 N -0.21 3.96 0.55 1.48 0.74 0.27 -4.87 119.66 121.59 2kum s GLN 32 Ca -0.03 0.65 -0.17 0.00 0.05 0.00 0.00 55.36 55.86 2kum s GLN 32 Cb -0.03 -3.74 -0.06 0.00 1.10 0.00 0.00 33.01 30.29 2kum s GLN 32 CO 0.01 -0.74 1.05 -1.21 -0.55 0.00 0.00 175.29 173.85 2kum s GLU 33 N 3.11 3.51 0.00 1.67 2.02 -1.26 -1.58 118.70 126.17 2kum s GLU 33 Ca 0.35 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.61 2kum s GLU 33 Cb -0.14 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2kum s GLU 33 CO 0.14 -0.66 0.40 0.00 0.02 0.00 0.00 175.26 175.15 2kum n ALA 34 N -1.61 2.09 0.00 5.21 0.00 -1.23 -3.33 120.51 121.64 2kum n ALA 34 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kum n ALA 34 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.21 0.00 0.31 0.00 2.03 -0.36 -4.02 116.55 114.71 2kum n ASP 35 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 2kum n ASP 35 Cb 0.20 0.00 1.00 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.00 0.00 0.27 0.00 -1.92 -3.38 103.07 98.04 2kum h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kum h GLY 36 CO 0.00 0.00 -0.05 1.34 0.00 0.00 0.00 176.54 177.83 2kum n ASP 37 N -3.63 0.00 -3.72 0.19 -0.08 -1.25 -4.93 116.55 103.12 2kum n ASP 37 Ca -0.03 0.31 -0.24 0.00 -1.51 0.00 0.00 54.79 53.32 2kum n ASP 37 Cb 0.08 0.21 -0.07 0.00 2.34 0.00 0.00 41.12 43.69 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 -0.86 0.23 -4.05 0.00 1.44 -1.26 -1.22 115.22 109.51 2kum n HIS 39 Ca -0.04 -0.09 -0.10 0.00 -2.01 0.00 0.00 57.72 55.48 2kum n HIS 39 Cb 0.59 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.56 2kum n HIS 39 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 2kum s LEU 40 N -0.78 1.11 -0.16 2.39 2.34 -1.26 -4.71 118.68 117.60 2kum s LEU 40 Ca 0.08 -1.04 -0.06 0.00 0.06 0.00 0.00 54.13 53.18 2kum s LEU 40 Cb 0.05 0.92 -0.04 0.00 -0.56 0.00 0.00 46.19 46.57 2kum s LEU 40 CO 0.04 -0.88 0.03 -1.58 -1.06 0.00 0.00 176.35 172.90 2kum s GLN 41 N -4.02 3.79 -0.19 1.48 0.74 -1.26 -3.48 119.66 116.71 2kum s GLN 41 Ca 0.23 -0.40 -0.12 0.00 0.05 0.00 0.00 55.36 55.11 2kum s GLN 41 Cb 0.04 -3.08 0.06 0.00 1.10 0.00 0.00 33.01 31.13 2kum s GLN 41 CO 0.03 0.31 0.48 0.00 -0.55 0.00 0.00 175.29 175.56 2kum s ALA 42 N 0.23 -1.24 -0.13 1.58 0.00 -0.61 -4.64 121.76 116.94 2kum s ALA 42 Ca 0.02 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.39 2kum s ALA 42 Cb -0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2kum s ALA 42 CO 0.01 -0.28 0.80 -0.06 0.00 0.00 0.00 175.76 176.24 2kum s PHE 43 N 1.18 3.48 -0.31 0.00 0.40 -0.84 0.95 117.98 122.84 2kum s PHE 43 Ca -0.07 1.28 -0.08 0.00 -0.60 0.00 0.00 56.93 57.45 2kum s PHE 43 Cb -0.07 -2.96 0.01 0.00 0.51 0.00 0.00 43.02 40.51 2kum s PHE 43 CO -0.11 -0.14 0.12 0.08 0.70 0.00 0.00 175.22 175.87 2kum s VAL 44 N 1.70 4.22 -0.25 -0.44 1.01 0.16 0.16 120.40 126.97 2kum s VAL 44 Ca 0.39 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2kum s VAL 44 Cb -0.17 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 2kum s VAL 44 CO 0.15 0.02 0.84 -0.76 0.00 0.00 0.00 175.10 175.35 2kum s LEU 45 N 1.53 4.08 -0.52 3.92 1.43 0.12 -1.53 118.68 127.71 2kum s LEU 45 Ca 0.03 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.99 2kum s LEU 45 Cb -0.18 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 42.92 2kum s LEU 45 CO 0.04 -0.54 0.55 -2.28 0.23 0.00 0.00 176.35 174.35 2kum s HIS 46 N 2.88 3.13 -2.76 0.29 2.46 -0.33 -1.17 115.29 119.79 2kum s HIS 46 Ca 0.35 -0.86 0.24 0.00 0.47 0.00 0.00 55.06 55.26 2kum s HIS 46 Cb -0.15 -3.55 0.33 0.00 -0.13 0.00 0.00 32.58 29.08 2kum s HIS 46 CO 0.08 -1.01 1.35 1.28 -2.47 0.00 0.00 174.74 173.96 2kum n LEU 47 N 5.75 3.10 0.00 8.88 4.32 0.33 -0.46 117.00 138.92 2kum n LEU 47 Ca -0.10 -1.17 0.00 0.00 -0.02 0.00 0.00 56.01 54.72 2kum n LEU 47 Cb 0.43 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2kum n LEU 47 CO 0.53 0.59 0.00 0.00 -1.22 0.00 0.00 177.39 177.28 2kum n ALA 48 N 1.34 0.00 0.46 -1.18 0.00 -1.26 -3.21 120.51 116.66 2kum n ALA 48 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2kum n ALA 48 Cb 0.59 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.47 2kum n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kum h GLN 49 N 0.00 0.00 -5.30 0.00 7.50 -1.94 -3.45 115.11 111.93 2kum h GLN 49 Ca 0.00 0.00 -0.42 0.00 0.50 0.00 0.00 58.65 58.73 2kum h GLN 49 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.39 2kum h GLN 49 CO 0.00 0.00 -0.68 1.03 -1.50 0.00 0.00 178.83 177.68 2kum s ARG 50 N -3.25 1.36 -0.19 1.46 0.52 -1.20 -5.13 118.95 112.53 2kum s ARG 50 Ca 0.07 -1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 53.54 2kum s ARG 50 Cb 0.10 -0.87 0.08 0.00 0.52 0.00 0.00 34.95 34.78 2kum s ARG 50 CO 0.54 0.02 0.41 -1.12 0.02 0.00 0.00 175.30 175.17 2kum s SER 51 N -3.33 -0.32 -0.05 0.23 0.01 -1.26 -0.51 113.70 108.47 2kum s SER 51 Ca 0.26 0.95 0.06 0.00 1.31 0.00 0.00 55.95 58.53 2kum s SER 51 Cb 0.04 1.14 -0.02 0.00 0.21 0.00 0.00 66.02 67.38 2kum s SER 51 CO 0.08 -0.22 -0.23 -0.63 0.41 0.00 0.00 173.24 172.65 2kum s ILE 52 N 2.20 2.28 -0.27 1.44 1.01 -0.32 -4.66 121.20 122.88 2kum s ILE 52 Ca -0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 2kum s ILE 52 Cb -0.11 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2kum s ILE 52 CO -0.13 0.57 0.16 0.00 0.00 0.00 0.00 174.94 175.55 2kum s ILE 54 N 1.68 2.89 0.01 0.00 2.07 0.12 0.28 121.20 128.25 2kum s ILE 54 Ca 0.07 -1.30 -0.30 0.00 -1.41 0.00 0.00 60.65 57.70 2kum s ILE 54 Cb -0.16 -2.28 -0.05 0.00 0.13 0.00 0.00 42.46 40.10 2kum s ILE 54 CO 0.09 0.23 1.34 -2.28 -1.91 0.00 0.00 174.94 172.41 2kum s HIS 55 N -1.04 3.01 0.26 3.50 5.65 -1.26 -1.99 115.29 123.43 2kum s HIS 55 Ca 0.17 0.95 -0.05 0.00 0.25 0.00 0.00 55.06 56.38 2kum s HIS 55 Cb -0.11 -3.60 0.52 0.00 -1.18 0.00 0.00 32.58 28.22 2kum s HIS 55 CO 0.08 -2.13 1.62 -1.35 -0.65 0.00 0.00 174.74 172.31 2kum h PRO 56 N 7.55 0.08 -3.96 2.88 0.11 -1.92 -2.64 132.00 134.10 2kum h PRO 56 Ca -0.38 -0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.00 2kum h PRO 56 Cb 1.18 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 2kum h PRO 56 CO 0.88 0.05 2.56 1.04 -0.21 0.00 0.00 178.00 182.33 2kum n GLN 57 N -5.39 3.20 -3.79 1.05 3.00 -1.26 -4.87 117.38 109.32 2kum n GLN 57 Ca 0.16 -3.06 -0.22 0.00 -0.01 0.00 0.00 57.00 53.87 2kum n GLN 57 Cb 0.55 -3.15 -0.17 0.00 0.00 0.00 0.00 30.24 27.46 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 2.33 1.46 0.52 1.08 2.47 -1.00 -5.03 114.94 116.77 2kum s ASN 58 Ca 0.44 -0.07 0.29 0.00 0.42 0.00 0.00 52.86 53.95 2kum s ASN 58 Cb 0.11 -0.40 1.42 0.00 -1.45 0.00 0.00 41.25 40.92 2kum s ASN 58 CO -0.04 -0.19 1.88 -0.65 -3.72 0.00 0.00 177.10 174.38 2kum h PRO 59 N 8.24 0.07 -0.07 0.43 0.11 -1.91 -0.73 132.00 138.14 2kum h PRO 59 Ca -0.21 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 2kum h PRO 59 Cb 1.13 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2kum h PRO 59 CO 0.27 0.04 -0.06 0.77 -0.21 0.00 0.00 178.00 178.81 2kum h SER 60 N 0.07 0.09 0.07 -2.05 0.02 -1.96 -1.00 113.55 108.79 2kum h SER 60 Ca 0.44 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.13 2kum h SER 60 Cb 1.64 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 64.17 2kum h SER 60 CO -0.04 0.18 -0.97 0.25 -1.14 0.00 0.00 176.83 175.10 2kum h LEU 61 N 0.10 0.82 -0.41 5.07 5.85 -1.49 0.28 115.31 125.52 2kum h LEU 61 Ca 0.02 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2kum h LEU 61 Cb 0.18 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2kum h LEU 61 CO 0.01 1.43 0.27 0.28 -0.34 0.00 0.00 178.44 180.09 2kum h SER 62 N 0.38 0.48 -0.92 1.25 0.02 -1.50 -1.24 113.55 112.02 2kum h SER 62 Ca -0.10 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2kum h SER 62 Cb 1.62 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 2kum h SER 62 CO 0.19 0.36 0.54 1.56 -1.14 0.00 0.00 176.83 178.34 2kum h GLN 63 N 0.56 1.26 -0.64 3.45 4.20 -1.09 -2.59 115.11 120.26 2kum h GLN 63 Ca 0.15 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2kum h GLN 63 Cb -0.05 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.44 2kum h GLN 63 CO -0.03 0.89 0.29 2.35 -0.67 0.00 0.00 178.83 181.66 2kum h TRP 64 N 1.27 0.91 -0.90 2.96 -0.00 0.29 0.29 115.95 120.77 2kum h TRP 64 Ca 0.33 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 59.17 2kum h TRP 64 Cb -0.03 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 28.80 2kum h TRP 64 CO 0.01 0.67 0.50 0.74 -0.00 0.00 0.00 178.44 180.36 2kum h PHE 65 N 0.91 1.23 -0.18 2.65 0.04 -0.86 0.82 116.94 121.55 2kum h PHE 65 Ca 0.22 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 2kum h PHE 65 Cb 0.11 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 2kum h PHE 65 CO 0.01 0.84 -0.00 0.93 -0.60 0.00 0.00 178.31 179.49 2kum h GLU 66 N 1.26 0.32 -0.21 1.51 5.08 -1.14 -2.96 114.58 118.43 2kum h GLU 66 Ca 0.32 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.37 2kum h GLU 66 Cb 0.01 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2kum h GLU 66 CO -0.05 0.54 -0.67 0.45 -1.00 0.00 0.00 179.01 178.27 2kum h HIS 67 N 0.07 1.07 -0.33 4.33 3.86 0.13 -2.73 115.15 121.56 2kum h HIS 67 Ca 0.05 -0.43 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 2kum h HIS 67 Cb 0.39 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 2kum h HIS 67 CO 0.04 1.26 0.08 -0.56 0.86 0.00 0.00 177.93 179.61 2kum h GLN 68 N 0.60 0.47 -0.07 2.45 3.07 0.56 0.91 115.11 123.09 2kum h GLN 68 Ca -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 2kum h GLN 68 Cb 1.29 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 2kum h GLN 68 CO 0.14 0.43 -0.05 1.49 0.09 0.00 0.00 178.83 180.93 2kum h GLU 69 N 0.46 0.10 -0.18 0.06 4.81 -1.31 -2.37 114.58 116.16 2kum h GLU 69 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2kum h GLU 69 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2kum h GLU 69 CO -0.00 0.16 0.00 2.89 -0.73 0.00 0.00 179.01 181.33 2kum n ARG 70 N -4.42 2.44 -0.74 1.92 1.85 -0.43 -4.86 116.66 112.42 2kum n ARG 70 Ca -0.02 -2.72 0.00 0.00 -1.00 0.00 0.00 57.85 54.11 2kum n ARG 70 Cb 0.17 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 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 -0.75 1.44 0.00 2.89 4.81 0.18 -5.00 118.16 121.73 2kum n LYS 71 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2kum n LYS 71 Cb 0.79 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.84 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kum n LEU 72 N 0.00 0.00 -0.19 3.14 4.32 -1.26 -3.36 117.00 119.65 2kum n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kum n LEU 72 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kum n LEU 72 CO 0.00 0.00 0.10 1.57 -1.22 0.00 0.00 177.39 177.84 2kum n HIS 73 N 0.00 0.00 -0.99 -1.77 -0.00 -1.26 -4.93 115.22 106.27 2kum n HIS 73 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kum n HIS 73 Cb 0.00 0.19 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kum n GLY 74 N 0.00 0.83 3.53 1.57 0.00 -1.21 -4.96 105.19 104.95 2kum n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.36 4.41 0.03 2.61 -4.23 -1.26 -4.92 115.64 108.92 2kum s THR 75 Ca 0.00 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 2kum s THR 75 Cb 0.00 -5.05 -0.00 0.00 1.34 0.00 0.00 72.50 68.79 2kum s THR 75 CO 0.00 -1.84 0.13 -0.76 -0.54 0.00 0.00 174.62 171.60 2kum s LEU 76 N 3.44 1.64 0.29 4.79 1.43 -1.26 -4.78 118.68 124.24 2kum s LEU 76 Ca 0.47 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2kum s LEU 76 Cb 0.00 0.69 -0.06 0.00 0.03 0.00 0.00 46.19 46.86 2kum s LEU 76 CO 0.01 -0.48 0.57 -2.16 0.23 0.00 0.00 176.35 174.52 2kum s PRO 77 N -2.22 3.68 -1.00 1.29 0.04 -1.26 -5.03 135.00 130.50 2kum s PRO 77 Ca -0.08 0.10 -0.20 0.00 0.04 0.00 0.00 61.00 60.86 2kum s PRO 77 Cb -0.03 -2.62 0.10 0.00 0.04 0.00 0.00 34.50 31.98 2kum s PRO 77 CO -0.03 0.21 1.31 0.15 0.04 0.00 0.00 177.00 178.68 2kum s LYS 78 N -3.43 3.65 -0.04 4.56 1.02 -1.26 -4.76 119.74 119.47 2kum s LYS 78 Ca 0.45 -1.58 0.21 0.00 0.02 0.00 0.00 55.97 55.07 2kum s LYS 78 Cb -0.11 -5.13 0.68 0.00 -0.52 0.00 0.00 37.83 32.75 2kum s LYS 78 CO 0.28 -1.97 1.57 1.47 -0.92 0.00 0.00 175.35 175.79 2kum n LEU 79 N 7.50 4.25 -2.74 3.17 -0.00 -1.26 -4.99 117.00 122.93 2kum n LEU 79 Ca 0.30 -2.13 -0.00 0.00 -0.00 0.00 0.00 56.01 54.17 2kum n LEU 79 Cb 0.49 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2kum n LEU 79 CO 0.59 0.91 -0.49 0.59 -0.00 0.00 0.00 177.39 178.98 2kum n ASN 80 N 1.45 -8.02 -0.02 1.45 3.02 -1.26 -4.98 115.26 106.90 2kum n ASN 80 Ca 0.25 1.40 0.02 0.00 -0.03 0.00 0.00 54.58 56.22 2kum n ASN 80 Cb 0.73 -5.24 0.03 0.00 -0.61 0.00 0.00 39.78 34.69 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 0.72 0.00 0.68 3.10 1.16 -1.26 -4.68 117.46 117.18 2kum n PHE 81 Ca 0.00 -0.57 0.12 0.00 -1.87 0.00 0.00 57.45 55.13 2kum n PHE 81 Cb 0.02 -0.07 0.47 0.00 -1.61 0.00 0.00 39.48 38.30 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 -0.66 -1.39 0.73 4.97 0.00 -1.26 -2.97 105.19 104.62 2kum n GLY 82 Ca 0.03 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.81 1.98 -0.15 1.61 0.00 -1.26 -3.96 117.12 113.54 2kum n MET 83 Ca 0.05 -1.46 0.05 0.00 0.00 0.00 0.00 57.70 56.34 2kum n MET 83 Cb 0.30 -1.45 0.12 0.00 0.00 0.00 0.00 33.22 32.18 2kum n MET 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kum n LEU 84 N 0.71 2.70 -4.40 3.17 4.77 -1.16 -3.94 117.00 118.86 2kum n LEU 84 Ca 0.17 -2.28 -0.43 0.00 -0.03 0.00 0.00 56.01 53.44 2kum n LEU 84 Cb 0.44 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2kum n LEU 84 CO 0.15 0.64 1.80 0.54 -1.33 0.00 0.00 177.39 179.19 2kum n ARG 85 N -0.20 3.28 -1.47 3.23 1.74 -1.25 -4.11 116.66 117.87 2kum n ARG 85 Ca 0.10 -3.48 -0.16 0.00 -0.77 0.00 0.00 57.85 53.54 2kum n ARG 85 Cb 0.46 -3.25 -0.07 0.00 -1.02 0.00 0.00 32.46 28.59 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 6.68 -1.22 -0.17 5.56 4.76 -1.26 -4.81 118.16 127.71 2kum n LYS 86 Ca 0.44 1.06 0.05 0.00 -2.87 0.00 0.00 58.31 56.99 2kum n LYS 86 Cb 0.43 -5.29 0.13 0.00 -1.84 0.00 0.00 35.03 28.47 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 -2.33 2.87 0.00 1.97 2.81 -1.26 -5.21 117.12 115.97 2kum n MET 87 Ca -0.16 -2.03 0.00 0.00 -1.81 0.00 0.00 57.70 53.70 2kum n MET 87 Cb 0.55 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89