#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 1.87 -0.04 -2.13 2.34 -1.26 -4.91 118.68 114.55 2kum s LEU 2 Ca 0.00 -0.12 -0.30 0.00 0.06 0.00 0.00 54.13 53.77 2kum s LEU 2 Cb 0.00 0.26 -0.07 0.00 -0.56 0.00 0.00 46.19 45.82 2kum s LEU 2 CO 0.00 -0.17 1.82 -0.76 -1.06 0.00 0.00 176.35 176.19 2kum s LEU 3 N -0.67 4.29 0.40 1.48 2.01 -1.26 -4.94 118.68 119.98 2kum s LEU 3 Ca -0.07 2.36 -0.25 0.00 0.01 0.00 0.00 54.13 56.18 2kum s LEU 3 Cb -0.05 -3.53 -0.11 0.00 0.01 0.00 0.00 46.19 42.51 2kum s LEU 3 CO 0.00 -1.07 0.99 -2.65 1.01 0.00 0.00 176.35 174.63 2kum n PRO 4 N 7.45 1.33 -1.56 1.29 -0.02 -1.26 -4.71 135.00 137.53 2kum n PRO 4 Ca 0.19 0.48 -0.52 0.00 -2.02 0.00 0.00 63.50 61.63 2kum n PRO 4 Cb 0.42 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.25 1.34 -1.40 0.52 -0.02 -1.26 -0.63 135.00 133.80 2kum n PRO 5 Ca 0.09 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2kum n PRO 5 Cb 0.38 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 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 8.27 -4.78 -1.81 2.55 7.64 -1.26 -4.83 113.62 119.39 2kum n SER 6 Ca 0.34 0.34 -0.20 0.00 1.01 0.00 0.00 58.87 60.36 2kum n SER 6 Cb 0.23 -3.50 0.11 0.00 -1.01 0.00 0.00 64.21 60.04 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 -2.56 2.89 -2.73 0.44 -1.04 0.20 -5.02 114.28 106.46 2kum n THR 7 Ca -0.14 -3.18 -0.42 0.00 -2.04 0.00 0.00 64.05 58.26 2kum n THR 7 Cb 0.47 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 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 -3.52 3.59 -0.33 2.41 0.00 -1.26 -4.64 121.76 118.03 2kum s ALA 8 Ca 0.53 0.17 0.16 0.00 0.00 0.00 0.00 51.96 52.82 2kum s ALA 8 Cb 0.44 -3.45 0.45 0.00 0.00 0.00 0.00 23.12 20.56 2kum s ALA 8 CO 0.02 -0.87 1.22 0.00 0.00 0.00 0.00 175.76 176.12 2kum h THR 11 N 5.78 1.48 -4.18 0.00 1.35 -1.99 -3.46 112.91 111.89 2kum h THR 11 Ca -0.46 -2.54 -0.47 0.00 -0.55 0.00 0.00 66.41 62.39 2kum h THR 11 Cb 1.22 3.18 0.02 0.00 -1.73 0.00 0.00 68.15 70.83 2kum h THR 11 CO 0.95 0.72 0.37 0.00 -0.25 0.00 0.00 175.52 177.31 2kum s GLN 12 N -2.44 3.93 -0.02 4.72 1.03 -1.26 -5.09 119.66 120.53 2kum s GLN 12 Ca -0.14 1.00 -0.04 0.00 0.04 0.00 0.00 55.36 56.23 2kum s GLN 12 Cb 0.01 -2.13 0.00 0.00 0.03 0.00 0.00 33.01 30.92 2kum s GLN 12 CO 0.84 -0.29 0.09 -0.51 -2.54 0.00 0.00 175.29 172.88 2kum s LEU 13 N -3.99 1.69 -0.05 2.60 1.43 -1.26 -4.89 118.68 114.20 2kum s LEU 13 Ca 0.60 0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.56 2kum s LEU 13 Cb -0.10 0.37 -0.13 0.00 0.03 0.00 0.00 46.19 46.36 2kum s LEU 13 CO 0.29 -0.13 0.74 0.22 0.23 0.00 0.00 176.35 177.71 2kum h TYR 14 N 5.52 -0.28 0.00 0.29 3.20 -1.12 -3.47 116.97 121.11 2kum h TYR 14 Ca -0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2kum h TYR 14 Cb 1.20 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2kum h TYR 14 CO 0.47 0.06 0.00 -2.13 -1.64 0.00 0.00 178.16 174.92 2kum n ARG 15 N -4.98 0.00 -3.03 1.82 0.63 -1.26 -4.95 116.66 104.89 2kum n ARG 15 Ca -0.07 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.50 2kum n ARG 15 Cb 0.24 -2.11 -0.06 0.00 0.45 0.00 0.00 32.46 30.98 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 0.00 4.28 0.30 -0.14 1.02 -1.26 -4.88 119.74 119.06 2kum s LYS 16 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 2kum s LYS 16 Cb 0.00 -2.76 -0.12 0.00 -0.52 0.00 0.00 37.83 34.43 2kum s LYS 16 CO 0.00 0.31 1.57 -2.30 -0.92 0.00 0.00 175.35 174.02 2kum n PRO 17 N 0.46 2.66 -3.19 -1.68 -0.02 -1.26 -4.98 135.00 126.99 2kum n PRO 17 Ca -0.00 0.95 -0.31 0.00 -2.02 0.00 0.00 63.50 62.12 2kum n PRO 17 Cb 0.51 -2.72 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 2kum n PRO 17 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kum s LEU 18 N -0.63 4.03 0.40 2.45 1.43 -1.26 -5.06 118.68 120.04 2kum s LEU 18 Ca 0.63 1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 54.49 2kum s LEU 18 Cb -0.50 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 41.81 2kum s LEU 18 CO 0.50 -0.21 1.04 -0.44 0.23 0.00 0.00 176.35 177.47 2kum s SER 19 N -2.74 6.78 0.49 2.29 0.01 -1.26 -4.91 113.70 114.37 2kum s SER 19 Ca 0.49 2.00 0.16 0.00 1.31 0.00 0.00 55.95 59.91 2kum s SER 19 Cb -0.11 -2.58 1.20 0.00 0.21 0.00 0.00 66.02 64.74 2kum s SER 19 CO 0.25 -0.47 2.09 -0.78 0.41 0.00 0.00 173.24 174.73 2kum h ASP 20 N 2.46 0.12 -0.52 2.44 3.58 -1.98 -0.95 116.42 121.58 2kum h ASP 20 Ca -0.48 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.04 2kum h ASP 20 Cb 1.21 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 2kum h ASP 20 CO 0.62 0.08 0.19 0.11 -2.88 0.00 0.00 179.24 177.36 2kum h LYS 21 N 0.14 0.36 -0.10 0.28 1.57 -1.99 0.60 116.57 117.44 2kum h LYS 21 Ca 0.11 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 2kum h LYS 21 Cb 0.25 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2kum h LYS 21 CO -0.01 0.24 -0.72 -0.07 -0.57 0.00 0.00 179.45 178.32 2kum h LEU 22 N 0.37 0.55 -0.40 2.94 3.38 -1.60 -3.29 115.31 117.26 2kum h LEU 22 Ca 0.25 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2kum h LEU 22 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2kum h LEU 22 CO -0.25 1.10 0.13 -0.07 0.09 0.00 0.00 178.44 179.44 2kum h LEU 23 N 0.32 0.58 0.00 1.67 3.38 -0.36 -0.60 115.31 120.30 2kum h LEU 23 Ca -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kum h LEU 23 Cb 1.30 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2kum h LEU 23 CO 0.13 0.63 0.00 -2.11 0.09 0.00 0.00 178.44 177.18 2kum n ARG 24 N -4.60 0.49 0.00 1.13 1.85 0.12 -0.95 116.66 114.70 2kum n ARG 24 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.89 2kum n ARG 24 Cb 0.18 -1.29 0.02 0.00 -1.05 0.00 0.00 32.46 30.31 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 -0.79 1.37 -2.27 2.89 5.02 -0.26 -4.66 118.16 119.45 2kum n LYS 25 Ca 0.07 -0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 55.24 2kum n LYS 25 Cb 0.03 -1.11 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.06 3.74 -0.03 -0.18 1.01 -0.13 -1.98 120.40 121.77 2kum s VAL 26 Ca 0.09 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2kum s VAL 26 Cb 0.08 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2kum s VAL 26 CO 0.18 -0.36 -0.03 2.30 0.00 0.00 0.00 175.10 177.19 2kum n ILE 27 N -1.52 0.19 -3.80 2.22 -5.35 0.07 -4.80 119.36 106.37 2kum n ILE 27 Ca 0.09 -0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.39 2kum n ILE 27 Cb 0.53 -0.66 -0.07 0.00 -1.74 0.00 0.00 39.64 37.69 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 -2.07 0.82 -0.23 6.28 -1.52 -1.04 -5.00 119.66 116.89 2kum s GLN 28 Ca -0.04 -0.72 -0.06 0.00 -1.95 0.00 0.00 55.36 52.59 2kum s GLN 28 Cb 0.01 0.34 -0.02 0.00 -0.22 0.00 0.00 33.01 33.12 2kum s GLN 28 CO 0.08 -0.26 0.01 0.08 -0.25 0.00 0.00 175.29 174.96 2kum s VAL 29 N -3.14 3.91 -0.33 1.09 1.01 -1.26 -1.08 120.40 120.60 2kum s VAL 29 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2kum s VAL 29 Cb 0.01 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2kum s VAL 29 CO -0.07 0.39 0.14 -1.83 0.00 0.00 0.00 175.10 173.73 2kum s GLU 30 N 1.40 3.02 -0.58 2.72 -1.05 0.30 -4.98 118.70 119.53 2kum s GLU 30 Ca 0.05 -0.93 -0.27 0.00 -0.15 0.00 0.00 54.97 53.67 2kum s GLU 30 Cb -0.15 -3.54 0.03 0.00 -0.44 0.00 0.00 34.13 30.04 2kum s GLU 30 CO 0.01 -0.54 1.11 -1.17 0.95 0.00 0.00 175.26 175.62 2kum s LEU 31 N 1.53 3.66 -0.56 1.83 2.96 -1.26 -1.49 118.68 125.35 2kum s LEU 31 Ca 0.02 -0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.56 2kum s LEU 31 Cb -0.18 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.51 2kum s LEU 31 CO 0.05 -1.42 1.52 -1.58 -1.32 0.00 0.00 176.35 173.60 2kum s GLN 32 N 4.66 3.18 0.63 1.98 0.74 0.56 -4.87 119.66 126.53 2kum s GLN 32 Ca 0.38 0.53 -0.12 0.00 0.05 0.00 0.00 55.36 56.19 2kum s GLN 32 Cb -0.09 -4.18 -0.03 0.00 1.10 0.00 0.00 33.01 29.81 2kum s GLN 32 CO 0.22 -2.09 1.04 -1.21 -0.55 0.00 0.00 175.29 172.71 2kum s GLU 33 N 5.81 3.38 0.00 1.67 2.02 -1.26 0.23 118.70 130.55 2kum s GLU 33 Ca 0.56 0.91 0.22 0.00 0.02 0.00 0.00 54.97 56.69 2kum s GLU 33 Cb -0.12 -2.05 1.33 0.00 0.10 0.00 0.00 34.13 33.39 2kum s GLU 33 CO 0.24 -0.74 1.86 0.00 0.02 0.00 0.00 175.26 176.63 2kum n ALA 34 N -2.62 2.63 0.00 5.21 0.00 -1.26 -2.15 120.51 122.32 2kum n ALA 34 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kum n ALA 34 Cb 0.54 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.82 0.00 0.31 0.00 2.03 -0.38 -3.90 116.55 113.79 2kum n ASP 35 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2kum n ASP 35 Cb 0.08 0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.91 0.02 0.27 0.00 -1.98 -3.38 103.07 97.09 2kum h GLY 36 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.54 2kum h GLY 36 CO 0.00 -0.32 -0.76 -0.55 0.00 0.00 0.00 176.54 174.90 2kum h ASP 37 N -0.82 0.01 -2.67 0.19 5.19 -1.89 -3.49 116.42 112.96 2kum h ASP 37 Ca -0.08 -0.72 -0.09 0.00 -0.62 0.00 0.00 57.03 55.53 2kum h ASP 37 Cb 0.64 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 2kum h ASP 37 CO 0.12 1.30 -0.08 0.00 -3.12 0.00 0.00 179.24 177.46 2kum n HIS 39 N -0.13 1.36 -3.76 0.00 1.44 -1.26 -1.25 115.22 111.63 2kum n HIS 39 Ca 0.00 -0.70 -0.14 0.00 -2.01 0.00 0.00 57.72 54.87 2kum n HIS 39 Cb 0.10 -0.31 -0.15 0.00 0.12 0.00 0.00 29.99 29.76 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 -2.25 0.86 -0.04 2.39 0.20 -1.25 -4.80 118.68 113.78 2kum s LEU 40 Ca 0.46 0.24 -0.27 0.00 0.69 0.00 0.00 54.13 55.26 2kum s LEU 40 Cb 0.33 0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 46.33 2kum s LEU 40 CO 0.17 -0.14 0.84 -1.58 -0.29 0.00 0.00 176.35 175.36 2kum s GLN 41 N 1.07 4.49 -0.04 1.98 0.74 -1.26 -4.11 119.66 122.53 2kum s GLN 41 Ca -0.08 1.15 -0.12 0.00 0.05 0.00 0.00 55.36 56.36 2kum s GLN 41 Cb -0.11 -3.46 0.02 0.00 1.10 0.00 0.00 33.01 30.56 2kum s GLN 41 CO -0.05 -0.00 0.27 0.00 -0.55 0.00 0.00 175.29 174.95 2kum s ALA 42 N 0.94 -0.66 -0.53 1.58 0.00 0.14 -4.51 121.76 118.71 2kum s ALA 42 Ca 0.45 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 2kum s ALA 42 Cb -0.19 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 22.95 2kum s ALA 42 CO 0.23 -0.21 0.50 -0.06 0.00 0.00 0.00 175.76 176.22 2kum s PHE 43 N -0.85 3.22 -0.18 0.00 0.08 0.20 -0.33 117.98 120.12 2kum s PHE 43 Ca -0.09 -1.17 -0.11 0.00 0.12 0.00 0.00 56.93 55.68 2kum s PHE 43 Cb -0.05 -3.69 -0.05 0.00 -0.57 0.00 0.00 43.02 38.66 2kum s PHE 43 CO 0.02 -1.01 0.18 0.08 -0.10 0.00 0.00 175.22 174.39 2kum s VAL 44 N 1.74 5.39 -0.25 -0.44 1.01 -0.56 -1.18 120.40 126.12 2kum s VAL 44 Ca 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2kum s VAL 44 Cb -0.28 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2kum s VAL 44 CO 0.04 0.45 0.16 -0.76 0.00 0.00 0.00 175.10 174.99 2kum s LEU 45 N 0.18 4.04 -0.39 3.92 1.43 0.87 -0.54 118.68 128.19 2kum s LEU 45 Ca 0.11 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2kum s LEU 45 Cb -0.12 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2kum s LEU 45 CO 0.00 0.04 0.24 -2.28 0.23 0.00 0.00 176.35 174.58 2kum s HIS 46 N 1.23 3.26 0.57 0.29 2.46 -0.24 -1.28 115.29 121.59 2kum s HIS 46 Ca 0.07 -1.08 -0.03 0.00 0.47 0.00 0.00 55.06 54.49 2kum s HIS 46 Cb -0.14 -2.61 0.02 0.00 -0.13 0.00 0.00 32.58 29.71 2kum s HIS 46 CO 0.06 -0.71 0.84 -0.51 -2.47 0.00 0.00 174.74 171.95 2kum s LEU 47 N 1.54 3.28 0.00 8.88 1.02 0.13 -0.75 118.68 132.76 2kum s LEU 47 Ca 0.02 0.41 0.17 0.00 0.02 0.00 0.00 54.13 54.75 2kum s LEU 47 Cb -0.20 -3.23 0.78 0.00 0.02 0.00 0.00 46.19 43.56 2kum s LEU 47 CO 0.06 -1.08 1.50 0.00 0.02 0.00 0.00 176.35 176.85 2kum n ALA 48 N -2.46 1.85 -0.93 4.21 0.00 -0.84 -2.83 120.51 119.51 2kum n ALA 48 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2kum n ALA 48 Cb 0.58 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2kum n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kum n GLN 49 N -1.37 0.18 -3.69 0.00 -0.00 -1.26 -5.11 117.38 106.11 2kum n GLN 49 Ca 0.06 -0.50 -0.03 0.00 -0.00 0.00 0.00 57.00 56.53 2kum n GLN 49 Cb 0.16 -0.54 -0.01 0.00 -0.00 0.00 0.00 30.24 29.85 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 -0.06 0.99 -0.01 2.61 1.70 -1.13 -5.05 118.95 118.00 2kum s ARG 50 Ca 0.00 -0.52 0.03 0.00 -0.47 0.00 0.00 55.73 54.77 2kum s ARG 50 Cb 0.00 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2kum s ARG 50 CO 0.00 -0.45 -0.10 -1.12 -1.08 0.00 0.00 175.30 172.55 2kum s SER 51 N -2.86 1.17 -0.04 -2.89 0.01 -1.26 0.17 113.70 108.00 2kum s SER 51 Ca 0.11 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.21 2kum s SER 51 Cb -0.00 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2kum s SER 51 CO -0.00 0.12 -0.08 -0.63 0.41 0.00 0.00 173.24 173.06 2kum s ILE 52 N -0.22 0.75 -0.26 1.44 1.01 -0.40 -4.56 121.20 118.96 2kum s ILE 52 Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 2kum s ILE 52 Cb -0.04 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 2kum s ILE 52 CO -0.00 0.25 0.16 0.00 0.00 0.00 0.00 174.94 175.35 2kum s ILE 54 N 1.58 3.93 0.01 0.00 1.01 -0.32 -0.44 121.20 126.97 2kum s ILE 54 Ca 0.07 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2kum s ILE 54 Cb -0.15 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.62 2kum s ILE 54 CO 0.08 0.57 1.36 -2.28 0.00 0.00 0.00 174.94 174.67 2kum s HIS 55 N -0.87 3.00 0.98 3.97 5.65 -1.26 -0.63 115.29 126.13 2kum s HIS 55 Ca 0.14 0.93 -0.12 0.00 0.25 0.00 0.00 55.06 56.26 2kum s HIS 55 Cb -0.11 -3.61 0.12 0.00 -1.18 0.00 0.00 32.58 27.79 2kum s HIS 55 CO 0.03 -2.19 0.76 -2.30 -0.65 0.00 0.00 174.74 170.39 2kum n PRO 56 N 5.02 -0.71 -2.75 2.88 -0.02 -1.26 -3.92 135.00 134.24 2kum n PRO 56 Ca 0.12 -0.16 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 2kum n PRO 56 Cb 0.44 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 -3.18 -1.89 -3.75 -0.52 3.00 -1.01 -5.05 117.38 104.99 2kum n GLN 57 Ca 0.08 0.61 -0.15 0.00 -0.01 0.00 0.00 57.00 57.53 2kum n GLN 57 Cb 0.54 -4.57 -0.16 0.00 0.00 0.00 0.00 30.24 26.05 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 -3.34 0.13 0.41 1.08 3.84 0.26 -5.04 114.94 112.28 2kum s ASN 58 Ca 0.29 0.15 0.11 0.00 0.21 0.00 0.00 52.86 53.62 2kum s ASN 58 Cb -0.04 0.03 0.92 0.00 -0.55 0.00 0.00 41.25 41.62 2kum s ASN 58 CO 0.52 -0.15 1.98 -0.65 -2.79 0.00 0.00 177.10 176.00 2kum h PRO 59 N 7.44 0.52 -0.52 0.43 0.11 -1.93 -2.44 132.00 135.59 2kum h PRO 59 Ca -0.40 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2kum h PRO 59 Cb 1.13 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2kum h PRO 59 CO 0.41 0.34 0.02 1.03 -0.21 0.00 0.00 178.00 179.59 2kum h SER 60 N 0.53 0.84 0.12 -2.05 0.87 -1.94 -0.13 113.55 111.80 2kum h SER 60 Ca 0.28 -0.21 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 2kum h SER 60 Cb 0.42 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2kum h SER 60 CO -0.09 0.90 -0.75 0.25 -0.53 0.00 0.00 176.83 176.61 2kum h LEU 61 N 0.82 0.45 0.06 2.23 7.12 -1.83 -1.62 115.31 122.54 2kum h LEU 61 Ca 0.16 -0.94 -0.00 0.00 0.13 0.00 0.00 57.88 57.23 2kum h LEU 61 Cb 0.47 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2kum h LEU 61 CO 0.02 1.35 -0.03 -1.28 -0.13 0.00 0.00 178.44 178.37 2kum h SER 62 N -0.38 -0.07 0.23 1.25 0.87 -1.41 -0.52 113.55 113.52 2kum h SER 62 Ca -0.13 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2kum h SER 62 Cb 1.57 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 2kum h SER 62 CO 0.14 -0.04 -0.19 1.56 -0.53 0.00 0.00 176.83 177.77 2kum h GLN 63 N -0.10 0.00 -0.36 2.24 4.20 -1.13 -2.09 115.11 117.87 2kum h GLN 63 Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2kum h GLN 63 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2kum h GLN 63 CO 0.01 0.19 -0.24 2.35 -0.67 0.00 0.00 178.83 180.47 2kum h TRP 64 N 0.00 0.82 -0.49 2.96 -0.00 -0.29 0.21 115.95 119.16 2kum h TRP 64 Ca -0.00 -0.19 0.06 0.00 -0.00 0.00 0.00 58.89 58.76 2kum h TRP 64 Cb 0.35 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.16 29.26 2kum h TRP 64 CO 0.00 0.90 0.18 0.74 -0.00 0.00 0.00 178.44 180.26 2kum h PHE 65 N 0.63 0.32 -0.10 2.65 -1.00 -0.41 1.03 116.94 120.07 2kum h PHE 65 Ca 0.08 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 2kum h PHE 65 Cb 0.74 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.23 2kum h PHE 65 CO 0.04 0.11 0.02 0.93 -1.61 0.00 0.00 178.31 177.80 2kum h GLU 66 N 0.36 0.16 -0.47 1.51 5.08 -1.42 -3.09 114.58 116.71 2kum h GLU 66 Ca 0.24 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2kum h GLU 66 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2kum h GLU 66 CO -0.23 0.35 0.15 0.45 -1.00 0.00 0.00 179.01 178.73 2kum h HIS 67 N -0.06 0.75 -0.44 4.33 3.86 0.16 -2.89 115.15 120.86 2kum h HIS 67 Ca 0.03 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2kum h HIS 67 Cb 0.26 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2kum h HIS 67 CO 0.01 0.66 0.13 -0.56 0.86 0.00 0.00 177.93 179.04 2kum h GLN 68 N 0.63 0.65 -0.81 2.45 3.07 0.10 0.65 115.11 121.84 2kum h GLN 68 Ca 0.15 -0.10 0.13 0.00 0.09 0.00 0.00 58.65 58.92 2kum h GLN 68 Cb 0.26 -0.11 -0.09 0.00 0.08 0.00 0.00 27.48 27.62 2kum h GLN 68 CO -0.01 0.57 0.42 1.49 0.09 0.00 0.00 178.83 181.39 2kum h GLU 69 N 0.63 0.61 -0.21 0.06 4.57 -1.42 -2.85 114.58 115.97 2kum h GLU 69 Ca 0.15 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2kum h GLU 69 Cb 0.20 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 2kum h GLU 69 CO -0.01 0.41 -0.13 2.89 -1.18 0.00 0.00 179.01 180.99 2kum n ARG 70 N -4.86 1.93 0.00 1.92 1.85 -0.00 -4.45 116.66 113.05 2kum n ARG 70 Ca 0.15 -3.04 0.00 0.00 -1.00 0.00 0.00 57.85 53.96 2kum n ARG 70 Cb 0.38 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 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 -1.05 0.00 0.11 2.89 3.00 0.21 -4.66 118.16 118.66 2kum n LYS 71 Ca 0.26 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.64 2kum n LYS 71 Cb 0.88 0.00 0.39 0.00 0.00 0.00 0.00 35.03 36.30 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 0.37 -1.29 3.14 -0.00 -1.26 -4.79 117.00 113.17 2kum n LEU 72 Ca 0.00 0.66 -0.17 0.00 -0.00 0.00 0.00 56.01 56.50 2kum n LEU 72 Cb 0.00 -0.70 -0.07 0.00 -0.00 0.00 0.00 43.42 42.64 2kum n LEU 72 CO 0.00 -0.79 -0.16 1.57 -0.00 0.00 0.00 177.39 178.01 2kum n HIS 73 N -2.00 0.00 0.26 1.47 -0.00 -1.26 -4.83 115.22 108.87 2kum n HIS 73 Ca -0.01 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.33 2kum n HIS 73 Cb 0.05 -3.01 0.60 0.00 -0.12 0.00 0.00 29.99 27.50 2kum n HIS 73 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2kum h GLY 74 N 0.00 0.00 -3.18 1.57 0.00 -1.85 -3.49 103.07 96.12 2kum h GLY 74 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2kum h GLY 74 CO 0.50 0.00 -0.81 -1.30 0.00 0.00 0.00 176.54 174.94 2kum n THR 75 N -3.13 -3.41 -4.43 4.70 -2.24 -1.26 -5.06 114.28 99.45 2kum n THR 75 Ca 0.01 1.59 -0.29 0.00 -2.27 0.00 0.00 64.05 63.08 2kum n THR 75 Cb 0.35 -2.39 -0.06 0.00 -2.10 0.00 0.00 70.33 66.12 2kum n THR 75 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2kum s LEU 76 N -4.29 2.60 -0.09 3.22 2.01 -1.26 -5.07 118.68 115.80 2kum s LEU 76 Ca 0.00 -1.43 -0.41 0.00 0.01 0.00 0.00 54.13 52.30 2kum s LEU 76 Cb 0.00 -0.98 -0.20 0.00 0.01 0.00 0.00 46.19 45.02 2kum s LEU 76 CO 0.00 -0.81 1.22 -2.65 1.01 0.00 0.00 176.35 175.12 2kum n PRO 77 N -1.34 0.15 -2.42 1.29 -0.02 -1.26 -4.82 135.00 126.58 2kum n PRO 77 Ca -0.10 0.06 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 2kum n PRO 77 Cb 0.66 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 2kum n PRO 77 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kum s LYS 78 N 0.71 3.53 0.00 -0.52 2.47 -1.26 -4.30 119.74 120.37 2kum s LYS 78 Ca 0.93 -1.73 0.00 0.00 -1.56 0.00 0.00 55.97 53.61 2kum s LYS 78 Cb -1.27 -5.45 0.00 0.00 -1.46 0.00 0.00 37.83 29.65 2kum s LYS 78 CO 0.61 -2.79 0.06 1.47 0.16 0.00 0.00 175.35 174.86 2kum n LEU 79 N 10.24 0.12 -1.23 5.43 -0.00 -1.26 -5.12 117.00 125.18 2kum n LEU 79 Ca 0.47 -0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2kum n LEU 79 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2kum n LEU 79 CO 0.74 0.03 -0.29 0.59 -0.00 0.00 0.00 177.39 178.46 2kum n ASN 80 N -0.67 -6.50 -1.21 1.45 5.03 -1.26 -4.85 115.26 107.26 2kum n ASN 80 Ca 0.00 0.83 0.09 0.00 0.87 0.00 0.00 54.58 56.37 2kum n ASN 80 Cb 0.01 -2.92 0.28 0.00 -1.02 0.00 0.00 39.78 36.13 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2kum n PHE 81 N 0.40 0.94 0.33 3.10 3.72 -1.26 -4.26 117.46 120.43 2kum n PHE 81 Ca 0.00 -0.44 0.10 0.00 -0.05 0.00 0.00 57.45 57.06 2kum n PHE 81 Cb 0.00 -0.06 0.44 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 1.36 -1.07 0.11 1.37 0.00 -1.26 -1.41 105.19 104.29 2kum n GLY 82 Ca 0.21 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.06 0.27 -0.01 1.61 0.00 -1.26 -3.69 117.12 111.98 2kum n MET 83 Ca 0.01 0.23 0.01 0.00 0.00 0.00 0.00 57.70 57.96 2kum n MET 83 Cb 0.16 -1.82 -0.03 0.00 0.00 0.00 0.00 33.22 31.52 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 -2.28 0.00 -4.49 3.17 7.94 -0.55 -4.79 117.00 116.00 2kum n LEU 84 Ca 0.05 0.00 -0.47 0.00 -1.11 0.00 0.00 56.01 54.48 2kum n LEU 84 Cb 0.42 0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.34 2kum n LEU 84 CO 0.30 0.02 1.86 0.54 -1.11 0.00 0.00 177.39 179.00 2kum n ARG 85 N -1.77 1.23 -1.26 1.96 1.74 -0.50 -0.64 116.66 117.42 2kum n ARG 85 Ca -0.02 0.30 -0.09 0.00 -0.77 0.00 0.00 57.85 57.27 2kum n ARG 85 Cb 0.24 -2.70 -0.04 0.00 -1.02 0.00 0.00 32.46 28.94 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 8.43 -1.52 -0.11 5.56 4.76 -1.26 -4.76 118.16 129.26 2kum n LYS 86 Ca 0.39 0.79 -0.14 0.00 -2.87 0.00 0.00 58.31 56.48 2kum n LYS 86 Cb 0.30 -5.09 -0.12 0.00 -1.84 0.00 0.00 35.03 28.28 2kum n LYS 86 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2kum n MET 87 N -0.95 0.72 0.00 1.97 1.56 0.19 -5.18 117.12 115.42 2kum n MET 87 Ca -0.09 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kum n MET 87 Cb 0.52 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.41 2kum n MET 87 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65