#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 3.85 -0.18 -2.13 0.20 -1.26 -4.87 118.68 114.29 2kum s LEU 2 Ca 0.00 0.85 -0.29 0.00 0.69 0.00 0.00 54.13 55.38 2kum s LEU 2 Cb 0.00 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 2kum s LEU 2 CO 0.00 -0.98 1.83 -0.76 -0.29 0.00 0.00 176.35 176.14 2kum s LEU 3 N 3.87 3.87 0.46 -0.68 2.01 -1.26 -4.97 118.68 121.98 2kum s LEU 3 Ca 0.46 1.85 -0.25 0.00 0.01 0.00 0.00 54.13 56.20 2kum s LEU 3 Cb -0.11 -3.53 -0.08 0.00 0.01 0.00 0.00 46.19 42.49 2kum s LEU 3 CO 0.20 -1.41 1.37 -2.84 1.01 0.00 0.00 176.35 174.69 2kum s PRO 4 N 5.07 3.65 -0.19 1.29 0.02 -1.26 -4.58 135.00 139.00 2kum s PRO 4 Ca 0.81 2.29 -0.33 0.00 0.02 0.00 0.00 61.00 63.80 2kum s PRO 4 Cb -0.30 -2.59 -0.10 0.00 0.02 0.00 0.00 34.50 31.53 2kum s PRO 4 CO 0.33 -0.81 2.05 -2.30 -0.33 0.00 0.00 177.00 175.94 2kum n PRO 5 N -0.30 1.85 -1.36 5.54 -0.02 -1.26 -0.40 135.00 139.05 2kum n PRO 5 Ca 0.06 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2kum n PRO 5 Cb 0.43 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.12 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 8.68 -4.54 -2.29 2.55 7.64 -1.26 -4.86 113.62 119.54 2kum n SER 6 Ca 0.29 0.31 -0.17 0.00 1.01 0.00 0.00 58.87 60.31 2kum n SER 6 Cb 0.31 -3.14 0.03 0.00 -1.01 0.00 0.00 64.21 60.41 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 -2.62 2.13 -2.67 0.44 -1.04 0.47 -5.01 114.28 105.97 2kum n THR 7 Ca -0.12 -3.82 -0.42 0.00 -2.04 0.00 0.00 64.05 57.64 2kum n THR 7 Cb 0.42 -0.37 -0.03 0.00 -1.82 0.00 0.00 70.33 68.52 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 -3.66 2.90 -0.74 2.41 0.00 -1.24 -4.32 121.76 117.11 2kum s ALA 8 Ca 0.43 -2.16 0.02 0.00 0.00 0.00 0.00 51.96 50.26 2kum s ALA 8 Cb 0.38 -4.31 0.18 0.00 0.00 0.00 0.00 23.12 19.37 2kum s ALA 8 CO 0.01 -3.34 0.55 0.00 0.00 0.00 0.00 175.76 172.99 2kum n THR 11 N 5.47 0.66 -3.86 0.00 -2.24 -1.26 -4.97 114.28 108.08 2kum n THR 11 Ca 0.18 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 2kum n THR 11 Cb 0.42 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.06 0.61 -0.04 -0.78 1.03 -1.26 -5.16 119.66 113.00 2kum s GLN 12 Ca 0.25 -0.55 0.02 0.00 0.04 0.00 0.00 55.36 55.12 2kum s GLN 12 Cb 0.14 0.25 0.01 0.00 0.03 0.00 0.00 33.01 33.44 2kum s GLN 12 CO 0.19 -0.16 -0.08 -0.51 -2.54 0.00 0.00 175.29 172.19 2kum s LEU 13 N -1.82 1.62 0.20 2.60 1.43 -1.26 -4.84 118.68 116.60 2kum s LEU 13 Ca -0.09 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2kum s LEU 13 Cb -0.03 -0.56 0.13 0.00 0.03 0.00 0.00 46.19 45.76 2kum s LEU 13 CO -0.02 0.02 1.75 0.22 0.23 0.00 0.00 176.35 178.56 2kum h TYR 14 N 6.74 1.13 0.00 0.29 3.20 -1.34 -3.46 116.97 123.53 2kum h TYR 14 Ca -0.34 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2kum h TYR 14 Cb 1.17 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2kum h TYR 14 CO 0.47 0.87 0.00 0.54 -1.64 0.00 0.00 178.16 178.40 2kum n ARG 15 N -4.32 0.00 -1.88 1.82 5.12 -1.26 -4.91 116.66 111.23 2kum n ARG 15 Ca 0.06 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.57 2kum n ARG 15 Cb 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.49 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2kum s LYS 16 N 0.00 4.18 0.14 5.56 1.02 -1.26 -4.93 119.74 124.44 2kum s LYS 16 Ca 0.00 2.48 -0.31 0.00 0.02 0.00 0.00 55.97 58.16 2kum s LYS 16 Cb 0.00 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.20 2kum s LYS 16 CO 0.00 -0.46 1.76 -2.14 -0.92 0.00 0.00 175.35 173.59 2kum s PRO 17 N -1.71 4.15 0.56 -1.68 0.02 -1.26 -4.98 135.00 130.10 2kum s PRO 17 Ca 0.54 2.54 -0.17 0.00 0.02 0.00 0.00 61.00 63.93 2kum s PRO 17 Cb -0.45 -3.45 -0.05 0.00 0.02 0.00 0.00 34.50 30.57 2kum s PRO 17 CO 0.58 -0.79 1.06 -0.51 -0.33 0.00 0.00 177.00 177.01 2kum s LEU 18 N 2.27 3.61 0.21 -5.54 1.43 -1.26 -5.02 118.68 114.39 2kum s LEU 18 Ca 0.78 1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 55.49 2kum s LEU 18 Cb -0.46 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.13 2kum s LEU 18 CO 0.34 -1.09 0.86 -0.44 0.23 0.00 0.00 176.35 176.25 2kum s SER 19 N -2.47 7.49 0.46 2.29 0.01 -1.26 -4.95 113.70 115.28 2kum s SER 19 Ca 0.66 1.79 0.17 0.00 1.31 0.00 0.00 55.95 59.87 2kum s SER 19 Cb -0.17 -2.55 1.09 0.00 0.21 0.00 0.00 66.02 64.60 2kum s SER 19 CO 0.32 0.16 2.01 -0.78 0.41 0.00 0.00 173.24 175.36 2kum h ASP 20 N 4.13 0.00 -0.43 2.44 3.58 -1.99 -2.07 116.42 122.09 2kum h ASP 20 Ca -0.46 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.98 2kum h ASP 20 Cb 1.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 2kum h ASP 20 CO 0.67 0.17 0.25 0.11 -2.88 0.00 0.00 179.24 177.56 2kum h LYS 21 N 0.00 0.59 0.00 0.28 1.57 -2.02 -1.69 116.57 115.30 2kum h LYS 21 Ca -0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2kum h LYS 21 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2kum h LYS 21 CO 0.02 0.45 -0.36 1.37 -0.57 0.00 0.00 179.45 180.36 2kum h LEU 22 N 0.57 0.00 -1.27 2.94 8.10 -1.86 -3.17 115.31 120.61 2kum h LEU 22 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.14 2kum h LEU 22 Cb 0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.20 2kum h LEU 22 CO -0.03 0.36 0.35 -0.07 -4.11 0.00 0.00 178.44 174.94 2kum h LEU 23 N 0.00 0.76 0.00 0.17 3.38 -0.63 -0.19 115.31 118.79 2kum h LEU 23 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kum h LEU 23 Cb 0.97 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kum h LEU 23 CO 0.05 0.60 0.00 -2.11 0.09 0.00 0.00 178.44 177.07 2kum n ARG 24 N -4.39 0.14 -0.03 1.13 1.85 -0.98 -1.10 116.66 113.28 2kum n ARG 24 Ca 0.06 0.17 0.07 0.00 -1.00 0.00 0.00 57.85 57.15 2kum n ARG 24 Cb 0.09 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.07 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 -1.23 1.12 -2.75 2.89 5.02 -0.09 -4.62 118.16 118.49 2kum n LYS 25 Ca 0.04 -1.41 -0.37 0.00 -2.02 0.00 0.00 58.31 54.54 2kum n LYS 25 Cb 0.05 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.12 4.15 -0.19 -0.18 1.01 -0.25 -3.36 120.40 120.46 2kum s VAL 26 Ca 0.17 1.82 0.04 0.00 0.00 0.00 0.00 61.98 64.02 2kum s VAL 26 Cb 0.12 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 2kum s VAL 26 CO 0.17 0.18 -0.12 2.30 0.00 0.00 0.00 175.10 177.63 2kum n ILE 27 N 0.65 1.14 -3.60 2.22 -5.35 0.02 -4.90 119.36 109.54 2kum n ILE 27 Ca 0.02 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.88 2kum n ILE 27 Cb 0.50 -1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 37.28 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 -2.40 1.06 -0.22 6.28 -1.52 -1.02 -5.01 119.66 116.82 2kum s GLN 28 Ca -0.23 -0.51 -0.10 0.00 -1.95 0.00 0.00 55.36 52.57 2kum s GLN 28 Cb 0.06 0.47 -0.05 0.00 -0.22 0.00 0.00 33.01 33.28 2kum s GLN 28 CO 0.51 -0.40 0.14 0.08 -0.25 0.00 0.00 175.29 175.36 2kum s VAL 29 N -3.25 5.26 -0.14 1.09 1.01 -1.26 -0.71 120.40 122.39 2kum s VAL 29 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2kum s VAL 29 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2kum s VAL 29 CO -0.08 0.38 -0.18 -1.83 0.00 0.00 0.00 175.10 173.39 2kum s GLU 30 N 0.83 3.16 -0.30 2.72 -1.05 0.64 -4.94 118.70 119.76 2kum s GLU 30 Ca 0.07 -0.79 -0.20 0.00 -0.15 0.00 0.00 54.97 53.90 2kum s GLU 30 Cb -0.13 -2.54 -0.01 0.00 -0.44 0.00 0.00 34.13 31.01 2kum s GLU 30 CO 0.02 0.04 0.64 -1.17 0.95 0.00 0.00 175.26 175.74 2kum s LEU 31 N 0.74 4.13 -0.53 1.83 2.96 -1.26 -0.75 118.68 125.80 2kum s LEU 31 Ca -0.07 0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 54.02 2kum s LEU 31 Cb -0.16 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.73 2kum s LEU 31 CO 0.01 -0.47 1.25 -1.58 -1.32 0.00 0.00 176.35 174.24 2kum s GLN 32 N 2.62 3.52 0.56 1.98 0.74 0.71 -4.98 119.66 124.82 2kum s GLN 32 Ca 0.26 0.45 -0.20 0.00 0.05 0.00 0.00 55.36 55.91 2kum s GLN 32 Cb -0.15 -4.01 -0.04 0.00 1.10 0.00 0.00 33.01 29.90 2kum s GLN 32 CO 0.11 -1.66 1.24 -1.21 -0.55 0.00 0.00 175.29 173.23 2kum s GLU 33 N 4.96 3.13 -0.01 1.67 2.02 -1.26 -1.75 118.70 127.46 2kum s GLU 33 Ca 0.48 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.41 2kum s GLU 33 Cb -0.09 -2.09 0.03 0.00 0.10 0.00 0.00 34.13 32.08 2kum s GLU 33 CO 0.28 -1.11 0.80 0.00 0.02 0.00 0.00 175.26 175.25 2kum n ALA 34 N -1.27 2.58 0.00 5.21 0.00 -1.25 -3.95 120.51 121.83 2kum n ALA 34 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kum n ALA 34 Cb 0.48 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.24 0.00 -0.28 0.00 2.03 -1.02 -3.19 116.55 114.32 2kum n ASP 35 Ca 0.02 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.42 2kum n ASP 35 Cb 0.42 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.07 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 1.32 0.00 0.27 0.00 -1.97 -3.33 103.07 99.36 2kum h GLY 36 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2kum h GLY 36 CO 0.00 -0.21 -0.40 1.34 0.00 0.00 0.00 176.54 177.27 2kum n ASP 37 N -5.07 1.10 -4.03 0.19 2.03 -1.26 -5.05 116.55 104.46 2kum n ASP 37 Ca 0.18 0.17 -0.14 0.00 0.52 0.00 0.00 54.79 55.52 2kum n ASP 37 Cb 0.55 -0.48 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kum s HIS 39 N -0.94 2.15 -0.30 0.00 -3.43 -1.26 -2.44 115.29 109.06 2kum s HIS 39 Ca -0.05 -0.05 -0.16 0.00 -0.80 0.00 0.00 55.06 54.00 2kum s HIS 39 Cb -0.07 -4.22 0.17 0.00 -1.43 0.00 0.00 32.58 27.03 2kum s HIS 39 CO 0.00 -1.48 1.08 -1.17 -2.00 0.00 0.00 174.74 171.17 2kum s LEU 40 N 8.96 -0.39 -0.31 5.38 0.20 -1.19 -4.82 118.68 126.50 2kum s LEU 40 Ca 0.64 0.56 -0.24 0.00 0.69 0.00 0.00 54.13 55.78 2kum s LEU 40 Cb -0.01 1.48 0.00 0.00 -0.43 0.00 0.00 46.19 47.24 2kum s LEU 40 CO 0.08 -0.08 0.81 -1.58 -0.29 0.00 0.00 176.35 175.29 2kum s GLN 41 N 1.91 3.95 0.05 1.98 0.74 -1.26 -3.96 119.66 123.07 2kum s GLN 41 Ca -0.04 0.59 0.01 0.00 0.05 0.00 0.00 55.36 55.97 2kum s GLN 41 Cb -0.04 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 2kum s GLN 41 CO -0.16 -0.72 -0.05 0.00 -0.55 0.00 0.00 175.29 173.82 2kum s ALA 42 N 3.03 0.56 -0.31 1.58 0.00 -0.72 -4.59 121.76 121.32 2kum s ALA 42 Ca 0.33 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kum s ALA 42 Cb -0.14 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.21 2kum s ALA 42 CO 0.13 -0.20 0.01 -0.06 0.00 0.00 0.00 175.76 175.64 2kum s PHE 43 N -2.67 3.37 -0.08 0.00 0.08 -0.17 -0.20 117.98 118.30 2kum s PHE 43 Ca -0.01 -2.18 0.00 0.00 0.12 0.00 0.00 56.93 54.86 2kum s PHE 43 Cb -0.01 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2kum s PHE 43 CO -0.04 -0.86 -0.06 0.08 -0.10 0.00 0.00 175.22 174.23 2kum s VAL 44 N 1.16 3.74 -0.35 -0.44 1.01 0.07 -1.74 120.40 123.86 2kum s VAL 44 Ca -0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2kum s VAL 44 Cb -0.20 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2kum s VAL 44 CO -0.03 0.59 0.26 -0.76 0.00 0.00 0.00 175.10 175.15 2kum s LEU 45 N -0.70 4.59 -0.60 3.92 1.43 0.18 -0.26 118.68 127.24 2kum s LEU 45 Ca 0.11 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 2kum s LEU 45 Cb -0.11 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 44.01 2kum s LEU 45 CO 0.02 -0.27 0.91 -2.28 0.23 0.00 0.00 176.35 174.96 2kum s HIS 46 N 1.74 2.77 0.51 0.29 2.46 0.11 -0.83 115.29 122.34 2kum s HIS 46 Ca 0.06 -0.38 -0.03 0.00 0.47 0.00 0.00 55.06 55.19 2kum s HIS 46 Cb -0.18 -4.12 -0.00 0.00 -0.13 0.00 0.00 32.58 28.15 2kum s HIS 46 CO 0.11 -1.47 0.77 -0.51 -2.47 0.00 0.00 174.74 171.17 2kum s LEU 47 N 3.82 3.48 0.19 8.88 1.02 -0.49 -0.80 118.68 134.78 2kum s LEU 47 Ca 0.24 0.53 0.23 0.00 0.02 0.00 0.00 54.13 55.14 2kum s LEU 47 Cb -0.16 -3.39 0.90 0.00 0.02 0.00 0.00 46.19 43.56 2kum s LEU 47 CO 0.13 -0.83 1.69 0.00 0.02 0.00 0.00 176.35 177.36 2kum n ALA 48 N -2.30 1.81 -0.11 4.21 0.00 -1.21 -2.77 120.51 120.14 2kum n ALA 48 Ca 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2kum n ALA 48 Cb 0.57 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.06 0.73 -3.60 0.00 3.00 -1.26 -5.06 117.38 109.12 2kum n GLN 49 Ca 0.03 0.08 -0.03 0.00 -0.01 0.00 0.00 57.00 57.07 2kum n GLN 49 Cb 0.26 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 29.00 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 -2.47 0.35 -0.11 -1.09 1.04 -1.12 -5.07 118.95 110.49 2kum s ARG 50 Ca -0.24 -0.15 -0.07 0.00 -1.04 0.00 0.00 55.73 54.24 2kum s ARG 50 Cb 0.07 0.15 -0.04 0.00 -2.04 0.00 0.00 34.95 33.09 2kum s ARG 50 CO 0.64 -0.16 0.15 -1.12 -0.04 0.00 0.00 175.30 174.77 2kum s SER 51 N -2.35 6.40 -0.13 -2.89 0.01 -1.26 -1.39 113.70 112.10 2kum s SER 51 Ca 0.10 0.48 -0.04 0.00 1.31 0.00 0.00 55.95 57.80 2kum s SER 51 Cb 0.00 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 2kum s SER 51 CO -0.05 0.40 0.02 -0.63 0.41 0.00 0.00 173.24 173.39 2kum s ILE 52 N -1.05 4.45 -0.24 1.44 1.01 -0.01 -4.34 121.20 122.46 2kum s ILE 52 Ca 0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 2kum s ILE 52 Cb -0.12 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2kum s ILE 52 CO 0.05 0.55 0.14 0.00 0.00 0.00 0.00 174.94 175.68 2kum s ILE 54 N 1.06 1.55 0.14 0.00 1.01 -0.71 -0.79 121.20 123.47 2kum s ILE 54 Ca 0.07 -1.21 -0.31 0.00 0.00 0.00 0.00 60.65 59.20 2kum s ILE 54 Cb -0.14 -1.37 -0.08 0.00 0.01 0.00 0.00 42.46 40.88 2kum s ILE 54 CO 0.04 0.12 1.40 -2.28 0.00 0.00 0.00 174.94 174.22 2kum s HIS 55 N -0.87 3.21 0.32 3.97 5.65 -1.26 -1.00 115.29 125.31 2kum s HIS 55 Ca 0.06 0.97 -0.28 0.00 0.25 0.00 0.00 55.06 56.07 2kum s HIS 55 Cb -0.09 -3.70 -0.13 0.00 -1.18 0.00 0.00 32.58 27.48 2kum s HIS 55 CO 0.02 -2.42 1.10 -2.30 -0.65 0.00 0.00 174.74 170.49 2kum n PRO 56 N 3.61 1.59 -2.89 2.88 -0.02 -1.26 -2.84 135.00 136.07 2kum n PRO 56 Ca 0.10 0.56 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2kum n PRO 56 Cb 0.42 -2.02 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.59 -3.80 -4.44 -0.52 6.02 -1.26 -5.01 117.38 108.96 2kum n GLN 57 Ca 0.08 0.44 -0.35 0.00 -0.01 0.00 0.00 57.00 57.17 2kum n GLN 57 Cb 0.34 -4.27 -0.10 0.00 1.02 0.00 0.00 30.24 27.23 2kum n GLN 57 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2kum s ASN 58 N -3.48 5.08 0.28 1.08 3.84 -1.13 -5.02 114.94 115.59 2kum s ASN 58 Ca 0.13 0.10 -0.03 0.00 0.21 0.00 0.00 52.86 53.27 2kum s ASN 58 Cb -0.06 -1.39 0.59 0.00 -0.55 0.00 0.00 41.25 39.84 2kum s ASN 58 CO 0.38 0.37 1.60 -0.65 -2.79 0.00 0.00 177.10 176.01 2kum h PRO 59 N 5.16 0.05 -0.17 0.43 0.11 -1.97 -0.36 132.00 135.26 2kum h PRO 59 Ca -0.50 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 2kum h PRO 59 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2kum h PRO 59 CO 0.54 0.03 -0.49 0.77 -0.21 0.00 0.00 178.00 178.64 2kum h SER 60 N 0.05 0.48 -0.07 -2.05 0.02 -1.95 -0.15 113.55 109.88 2kum h SER 60 Ca 0.51 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2kum h SER 60 Cb 0.96 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 2kum h SER 60 CO -0.83 0.89 -0.12 0.25 -1.14 0.00 0.00 176.83 175.89 2kum h LEU 61 N 0.36 0.23 -0.18 5.07 7.12 -1.48 -1.59 115.31 124.84 2kum h LEU 61 Ca 0.02 -0.54 -0.03 0.00 0.13 0.00 0.00 57.88 57.47 2kum h LEU 61 Cb 0.99 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2kum h LEU 61 CO 0.09 0.72 0.01 -1.28 -0.13 0.00 0.00 178.44 177.85 2kum h SER 62 N -0.25 0.30 0.03 1.25 0.87 -1.21 -2.60 113.55 111.94 2kum h SER 62 Ca 0.01 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2kum h SER 62 Cb 0.67 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kum h SER 62 CO 0.03 0.52 -0.03 0.06 -0.53 0.00 0.00 176.83 176.88 2kum h GLN 63 N 0.06 0.00 -0.40 2.24 3.07 -1.07 -1.44 115.11 117.57 2kum h GLN 63 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.66 2kum h GLN 63 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2kum h GLN 63 CO 0.01 0.03 -0.26 2.35 0.09 0.00 0.00 178.83 181.05 2kum h TRP 64 N 0.00 0.97 -0.99 0.06 -0.00 -0.90 0.38 115.95 115.47 2kum h TRP 64 Ca -0.00 -0.24 0.15 0.00 -0.00 0.00 0.00 58.89 58.80 2kum h TRP 64 Cb 0.05 -0.22 -0.09 0.00 -0.00 0.00 0.00 29.16 28.89 2kum h TRP 64 CO 0.00 1.01 0.61 0.74 -0.00 0.00 0.00 178.44 180.80 2kum h PHE 65 N 0.72 1.09 0.18 2.65 -1.00 -1.04 0.82 116.94 120.36 2kum h PHE 65 Ca 0.09 0.03 -0.27 0.00 2.81 0.00 0.00 57.97 60.64 2kum h PHE 65 Cb 0.80 -0.34 0.03 0.00 3.61 0.00 0.00 35.95 40.06 2kum h PHE 65 CO 0.05 0.35 -1.15 0.93 -1.61 0.00 0.00 178.31 176.87 2kum h GLU 66 N 0.88 0.46 -0.63 1.51 5.08 -1.38 -2.91 114.58 117.59 2kum h GLU 66 Ca 0.52 -0.74 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 2kum h GLU 66 Cb 0.65 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2kum h GLU 66 CO -0.32 1.35 0.05 0.45 -1.00 0.00 0.00 179.01 179.54 2kum h HIS 67 N -0.04 1.16 -0.37 4.33 3.86 0.36 -2.40 115.15 122.05 2kum h HIS 67 Ca -0.20 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 2kum h HIS 67 Cb 1.89 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 30.03 2kum h HIS 67 CO 0.15 1.00 0.08 0.37 0.86 0.00 0.00 177.93 180.40 2kum h GLN 68 N 1.00 0.55 0.00 2.45 4.15 0.54 -1.34 115.11 122.46 2kum h GLN 68 Ca 0.19 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2kum h GLN 68 Cb 0.51 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2kum h GLN 68 CO 0.02 0.51 -0.06 1.49 -1.93 0.00 0.00 178.83 178.87 2kum h GLU 69 N 0.54 0.00 -0.23 1.69 4.81 -1.22 -2.04 114.58 118.13 2kum h GLU 69 Ca 0.13 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2kum h GLU 69 Cb 0.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2kum h GLU 69 CO -0.00 0.06 -0.07 2.89 -0.73 0.00 0.00 179.01 181.16 2kum n ARG 70 N -4.19 2.12 0.00 1.92 1.85 -0.60 -4.94 116.66 112.83 2kum n ARG 70 Ca -0.03 -2.96 0.00 0.00 -1.00 0.00 0.00 57.85 53.86 2kum n ARG 70 Cb 0.14 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 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 -0.95 0.00 0.00 2.89 4.81 -0.65 -5.05 118.16 119.21 2kum n LYS 71 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2kum n LYS 71 Cb 0.89 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.94 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 -0.91 3.14 4.77 -1.26 -2.51 117.00 120.23 2kum n LEU 72 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 2kum n LEU 72 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2kum n LEU 72 CO 0.00 0.00 0.21 1.57 -1.33 0.00 0.00 177.39 177.84 2kum n HIS 73 N 11.97 0.00 -0.99 -1.77 -0.00 -1.26 -4.91 115.22 118.26 2kum n HIS 73 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 57.72 57.23 2kum n HIS 73 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 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 -0.05 0.52 3.40 1.57 0.00 -1.05 -4.97 105.19 104.62 2kum n GLY 74 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.20 5.23 -0.14 2.61 -4.23 -1.26 -4.95 115.64 110.70 2kum s THR 75 Ca 0.00 -2.29 -0.23 0.00 -1.18 0.00 0.00 61.69 58.00 2kum s THR 75 Cb 0.00 -4.68 0.06 0.00 1.34 0.00 0.00 72.50 69.21 2kum s THR 75 CO 0.00 -1.33 0.58 -1.48 -0.54 0.00 0.00 174.62 171.84 2kum s LEU 76 N 1.18 -0.21 -0.11 4.79 -0.00 -1.26 -4.98 118.68 118.07 2kum s LEU 76 Ca 0.30 0.90 -0.30 0.00 -0.00 0.00 0.00 54.13 55.03 2kum s LEU 76 Cb -0.07 2.07 -0.02 0.00 -0.00 0.00 0.00 46.19 48.17 2kum s LEU 76 CO -0.08 -0.36 1.11 -2.16 -0.00 0.00 0.00 176.35 174.87 2kum s PRO 77 N -0.35 4.35 -0.30 1.48 0.04 -1.26 -4.93 135.00 134.03 2kum s PRO 77 Ca -0.05 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 2kum s PRO 77 Cb -0.03 -3.59 0.05 0.00 0.04 0.00 0.00 34.50 30.97 2kum s PRO 77 CO 0.04 -0.45 2.63 0.36 0.04 0.00 0.00 177.00 179.62 2kum n LYS 78 N 5.44 2.04 -1.32 4.56 2.85 -1.26 -4.87 118.16 125.61 2kum n LYS 78 Ca 0.11 -1.69 0.00 0.00 -1.05 0.00 0.00 58.31 55.68 2kum n LYS 78 Cb 0.47 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2kum n LEU 79 N 1.05 0.00 -4.03 -5.58 -0.00 -1.26 -5.11 117.00 102.06 2kum n LEU 79 Ca 0.38 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 56.08 2kum n LEU 79 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.89 2kum n LEU 79 CO 0.28 -0.26 -0.39 0.20 -0.00 0.00 0.00 177.39 177.23 2kum s ASN 80 N -0.93 4.59 -0.00 1.45 0.01 -1.26 -4.90 114.94 113.90 2kum s ASN 80 Ca 0.00 -1.80 0.01 0.00 -0.71 0.00 0.00 52.86 50.37 2kum s ASN 80 Cb 0.00 -1.57 0.04 0.00 0.41 0.00 0.00 41.25 40.13 2kum s ASN 80 CO 0.00 -0.29 0.90 0.49 -1.51 0.00 0.00 177.10 176.69 2kum n PHE 81 N 4.35 0.08 0.00 2.20 3.72 -1.26 -4.96 117.46 121.59 2kum n PHE 81 Ca -0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2kum n PHE 81 Cb 0.42 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.42 1.09 0.20 1.37 0.00 -1.26 -4.72 105.19 102.29 2kum n GLY 82 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 1.17 0.00 1.61 0.00 -1.26 -3.28 117.12 115.36 2kum n MET 83 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.48 2kum n MET 83 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 33.22 32.08 2kum n MET 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 2kum n LEU 84 N -0.26 0.00 -4.23 3.17 -0.00 -1.26 -4.22 117.00 110.20 2kum n LEU 84 Ca 0.02 -0.04 -0.42 0.00 -0.00 0.00 0.00 56.01 55.58 2kum n LEU 84 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.44 2kum n LEU 84 CO 0.02 0.00 0.03 -0.13 -0.00 0.00 0.00 177.39 177.30 2kum s ARG 85 N -0.31 2.60 0.00 1.47 1.81 -1.20 -4.43 118.95 118.89 2kum s ARG 85 Ca 0.00 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.19 2kum s ARG 85 Cb 0.00 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.50 2kum s ARG 85 CO 0.00 -1.22 0.00 1.17 -0.68 0.00 0.00 175.30 174.57 2kum n LYS 86 N 4.85 0.00 -0.12 3.54 3.00 -1.26 -4.43 118.16 123.75 2kum n LYS 86 Ca -0.07 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.33 2kum n LYS 86 Cb 0.41 -0.73 0.31 0.00 0.00 0.00 0.00 35.03 35.02 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kum n MET 87 N 0.00 1.83 0.00 1.64 2.81 -1.26 -5.18 117.12 116.95 2kum n MET 87 Ca 0.00 -1.26 0.11 0.00 -1.81 0.00 0.00 57.70 54.74 2kum n MET 87 Cb 0.00 -1.38 0.09 0.00 -0.71 0.00 0.00 33.22 31.22 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89