#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 0.27 -0.49 -2.13 2.34 -1.26 -5.12 118.68 112.29 2kum s LEU 2 Ca 0.00 0.65 -0.28 0.00 0.06 0.00 0.00 54.13 54.56 2kum s LEU 2 Cb 0.00 1.65 0.03 0.00 -0.56 0.00 0.00 46.19 47.31 2kum s LEU 2 CO 0.00 -0.32 1.10 -0.76 -1.06 0.00 0.00 176.35 175.31 2kum s LEU 3 N -0.44 3.69 0.38 1.48 2.01 -1.26 -5.02 118.68 119.52 2kum s LEU 3 Ca -0.06 0.32 -0.27 0.00 0.01 0.00 0.00 54.13 54.13 2kum s LEU 3 Cb -0.03 -3.40 -0.09 0.00 0.01 0.00 0.00 46.19 42.67 2kum s LEU 3 CO 0.03 -1.25 1.32 -2.84 1.01 0.00 0.00 176.35 174.62 2kum s PRO 4 N 4.38 4.13 0.12 1.29 0.02 -1.26 -4.44 135.00 139.24 2kum s PRO 4 Ca 0.45 2.22 -0.35 0.00 0.02 0.00 0.00 61.00 63.33 2kum s PRO 4 Cb -0.08 -2.89 -0.16 0.00 0.02 0.00 0.00 34.50 31.39 2kum s PRO 4 CO 0.30 -0.38 1.40 -2.30 -0.33 0.00 0.00 177.00 175.68 2kum n PRO 5 N 0.41 1.47 -2.46 5.54 -0.02 -1.26 -0.88 135.00 137.81 2kum n PRO 5 Ca 0.02 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 61.87 2kum n PRO 5 Cb 0.42 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 2kum n PRO 5 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2kum n SER 6 N 2.72 -4.71 -2.58 2.55 3.41 -1.26 -4.84 113.62 108.91 2kum n SER 6 Ca 0.17 0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.74 2kum n SER 6 Cb 0.23 -3.95 0.02 0.00 -0.26 0.00 0.00 64.21 60.25 2kum n SER 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kum n THR 7 N -3.66 1.54 -2.80 6.66 -1.04 -0.05 -5.05 114.28 109.87 2kum n THR 7 Ca -0.18 -3.66 -0.43 0.00 -2.04 0.00 0.00 64.05 57.75 2kum n THR 7 Cb 0.64 0.07 -0.03 0.00 -1.82 0.00 0.00 70.33 69.19 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 -3.37 3.11 -0.54 2.41 0.00 -1.26 -4.40 121.76 117.71 2kum s ALA 8 Ca 0.35 -2.29 0.07 0.00 0.00 0.00 0.00 51.96 50.08 2kum s ALA 8 Cb 0.42 -4.11 0.31 0.00 0.00 0.00 0.00 23.12 19.74 2kum s ALA 8 CO -0.04 -3.08 0.83 0.00 0.00 0.00 0.00 175.76 173.47 2kum n THR 11 N 5.82 0.00 -4.44 0.00 -2.24 -1.26 -4.91 114.28 107.25 2kum n THR 11 Ca 0.16 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.64 2kum n THR 11 Cb 0.45 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.85 1.58 -0.01 -0.78 1.03 -1.26 -5.15 119.66 112.22 2kum s GLN 12 Ca 0.14 -1.63 0.02 0.00 0.04 0.00 0.00 55.36 53.93 2kum s GLN 12 Cb 0.18 -1.77 -0.00 0.00 0.03 0.00 0.00 33.01 31.45 2kum s GLN 12 CO 0.68 0.36 -0.06 -0.51 -2.54 0.00 0.00 175.29 173.21 2kum s LEU 13 N -3.07 2.00 0.02 2.60 1.43 -1.26 -4.76 118.68 115.64 2kum s LEU 13 Ca 0.25 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 2kum s LEU 13 Cb -0.06 -0.33 -0.17 0.00 0.03 0.00 0.00 46.19 45.66 2kum s LEU 13 CO 0.12 0.08 1.28 0.22 0.23 0.00 0.00 176.35 178.27 2kum h TYR 14 N 6.00 0.35 -0.02 0.29 3.20 -0.97 -3.47 116.97 122.36 2kum h TYR 14 Ca -0.29 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 2kum h TYR 14 Cb 1.19 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 2kum h TYR 14 CO 0.41 0.76 -0.01 0.54 -1.64 0.00 0.00 178.16 178.22 2kum n ARG 15 N -4.58 -0.87 -3.98 1.82 1.74 -1.26 -5.00 116.66 104.53 2kum n ARG 15 Ca -0.07 0.24 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 2kum n ARG 15 Cb 0.38 -3.91 -0.05 0.00 -1.02 0.00 0.00 32.46 27.86 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 -0.95 3.23 -0.32 5.56 3.01 -1.26 -5.06 119.74 123.95 2kum s LYS 16 Ca 0.00 -0.48 -0.29 0.00 -1.01 0.00 0.00 55.97 54.19 2kum s LYS 16 Cb 0.00 -2.94 -0.01 0.00 -1.01 0.00 0.00 37.83 33.86 2kum s LYS 16 CO 0.00 0.62 1.67 -1.25 0.51 0.00 0.00 175.35 176.91 2kum s PRO 17 N -2.20 3.49 0.42 -1.68 0.04 -1.26 -4.95 135.00 128.86 2kum s PRO 17 Ca 0.30 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 2kum s PRO 17 Cb -0.13 -4.12 -0.08 0.00 0.04 0.00 0.00 34.50 30.21 2kum s PRO 17 CO 0.22 -1.67 1.20 -0.51 0.04 0.00 0.00 177.00 176.28 2kum s LEU 18 N 6.20 4.15 0.13 -3.56 1.43 -1.26 -4.96 118.68 120.80 2kum s LEU 18 Ca 0.74 2.41 -0.31 0.00 -1.03 0.00 0.00 54.13 55.95 2kum s LEU 18 Cb -0.21 -4.05 -0.07 0.00 0.03 0.00 0.00 46.19 41.89 2kum s LEU 18 CO 0.33 -0.79 1.27 -0.44 0.23 0.00 0.00 176.35 176.95 2kum s SER 19 N -1.09 6.97 0.55 2.29 0.01 -1.26 -4.90 113.70 116.27 2kum s SER 19 Ca 0.59 2.22 0.22 0.00 1.31 0.00 0.00 55.95 60.28 2kum s SER 19 Cb -0.32 -2.59 1.45 0.00 0.21 0.00 0.00 66.02 64.77 2kum s SER 19 CO 0.40 -0.51 2.14 -0.78 0.41 0.00 0.00 173.24 174.90 2kum h ASP 20 N 6.25 0.00 -0.22 2.44 3.58 -1.97 0.54 116.42 127.03 2kum h ASP 20 Ca -0.43 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.03 2kum h ASP 20 Cb 1.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2kum h ASP 20 CO 0.81 0.00 0.11 0.11 -2.88 0.00 0.00 179.24 177.39 2kum h LYS 21 N 0.00 0.23 0.00 0.28 1.57 -2.01 -1.02 116.57 115.62 2kum h LYS 21 Ca 0.05 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2kum h LYS 21 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2kum h LYS 21 CO -0.00 0.15 -0.59 1.37 -0.57 0.00 0.00 179.45 179.81 2kum h LEU 22 N 0.24 0.00 -1.24 2.94 8.10 -1.61 -3.24 115.31 120.49 2kum h LEU 22 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.06 2kum h LEU 22 Cb 0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.21 2kum h LEU 22 CO -0.06 0.59 0.27 -0.07 -4.11 0.00 0.00 178.44 175.06 2kum h LEU 23 N 0.00 0.71 0.00 0.17 3.38 -0.19 -1.24 115.31 118.15 2kum h LEU 23 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kum h LEU 23 Cb 1.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kum h LEU 23 CO 0.08 0.61 0.00 -2.11 0.09 0.00 0.00 178.44 177.11 2kum n ARG 24 N -4.36 0.19 -0.08 1.13 1.85 -0.46 0.01 116.66 114.93 2kum n ARG 24 Ca 0.05 0.02 0.03 0.00 -1.00 0.00 0.00 57.85 56.95 2kum n ARG 24 Cb 0.13 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.02 2.12 -3.03 2.89 5.02 -0.47 -4.52 118.16 119.14 2kum n LYS 25 Ca 0.05 -1.59 -0.45 0.00 -2.02 0.00 0.00 58.31 54.30 2kum n LYS 25 Cb 0.02 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.88 4.98 -0.53 -0.18 1.01 0.10 -1.22 120.40 123.68 2kum s VAL 26 Ca 0.13 -1.87 0.26 0.00 0.00 0.00 0.00 61.98 60.49 2kum s VAL 26 Cb 0.07 -4.71 0.29 0.00 0.00 0.00 0.00 36.38 32.04 2kum s VAL 26 CO 0.09 -1.39 1.76 0.16 0.00 0.00 0.00 175.10 175.72 2kum h ILE 27 N 5.49 0.00 -3.76 2.22 3.07 -1.57 -3.45 117.51 119.50 2kum h ILE 27 Ca 0.15 -0.46 -0.15 0.00 1.55 0.00 0.00 64.86 65.95 2kum h ILE 27 Cb 1.02 1.38 -0.20 0.00 -0.27 0.00 0.00 36.82 38.75 2kum h ILE 27 CO 1.02 0.00 -0.58 -1.10 -1.05 0.00 0.00 178.15 176.44 2kum s GLN 28 N -3.24 0.45 -0.22 0.16 -1.52 -0.75 -4.76 119.66 109.78 2kum s GLN 28 Ca 0.07 -0.58 0.02 0.00 -1.95 0.00 0.00 55.36 52.92 2kum s GLN 28 Cb 0.10 0.18 0.04 0.00 -0.22 0.00 0.00 33.01 33.11 2kum s GLN 28 CO 0.53 -0.10 -0.15 0.08 -0.25 0.00 0.00 175.29 175.40 2kum s VAL 29 N -1.76 2.09 -0.22 1.09 1.01 -1.26 -0.28 120.40 121.07 2kum s VAL 29 Ca -0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.54 2kum s VAL 29 Cb -0.07 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2kum s VAL 29 CO -0.01 0.26 -0.02 -1.83 0.00 0.00 0.00 175.10 173.51 2kum s GLU 30 N 1.21 3.46 -0.23 2.72 -1.05 -0.67 -4.97 118.70 119.18 2kum s GLU 30 Ca -0.02 -0.58 -0.25 0.00 -0.15 0.00 0.00 54.97 53.97 2kum s GLU 30 Cb -0.16 -3.08 -0.01 0.00 -0.44 0.00 0.00 34.13 30.44 2kum s GLU 30 CO -0.09 -0.16 0.85 -1.17 0.95 0.00 0.00 175.26 175.63 2kum s LEU 31 N 1.43 4.10 -0.63 1.83 2.96 -1.26 -2.35 118.68 124.75 2kum s LEU 31 Ca 0.05 1.08 -0.28 0.00 -0.22 0.00 0.00 54.13 54.77 2kum s LEU 31 Cb -0.14 -3.22 0.03 0.00 0.50 0.00 0.00 46.19 43.35 2kum s LEU 31 CO -0.01 -0.51 1.21 -1.58 -1.32 0.00 0.00 176.35 174.14 2kum s GLN 32 N 2.76 3.41 0.34 1.98 0.74 0.84 -4.98 119.66 124.76 2kum s GLN 32 Ca 0.36 0.09 -0.28 0.00 0.05 0.00 0.00 55.36 55.58 2kum s GLN 32 Cb -0.15 -4.07 -0.09 0.00 1.10 0.00 0.00 33.01 29.80 2kum s GLN 32 CO 0.08 -1.82 1.21 -1.21 -0.55 0.00 0.00 175.29 173.00 2kum s GLU 33 N 5.15 4.32 0.00 1.67 2.02 -1.26 -1.82 118.70 128.78 2kum s GLU 33 Ca 0.40 1.99 0.14 0.00 0.02 0.00 0.00 54.97 57.53 2kum s GLU 33 Cb -0.08 -2.97 0.87 0.00 0.10 0.00 0.00 34.13 32.05 2kum s GLU 33 CO 0.22 -0.14 1.41 0.00 0.02 0.00 0.00 175.26 176.77 2kum n ALA 34 N 0.65 2.38 0.00 5.21 0.00 -1.24 -1.51 120.51 126.00 2kum n ALA 34 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kum n ALA 34 Cb 0.44 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.79 0.00 0.00 0.00 2.03 -0.52 -3.88 116.55 113.40 2kum n ASP 35 Ca 0.11 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.49 2kum n ASP 35 Cb 0.05 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 40.80 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kum n GLY 36 N -1.38 -0.85 1.91 0.27 0.00 -1.26 -4.31 105.19 99.58 2kum n GLY 36 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2kum n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kum n ASP 37 N -1.36 0.00 -4.25 1.61 2.03 -1.23 -4.91 116.55 108.44 2kum n ASP 37 Ca 0.06 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.08 2kum n ASP 37 Cb 0.13 0.22 -0.08 0.00 -0.72 0.00 0.00 41.12 40.68 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kum n HIS 39 N -1.05 0.67 -3.85 0.00 1.44 -1.26 -1.43 115.22 109.74 2kum n HIS 39 Ca -0.10 -0.34 -0.09 0.00 -2.01 0.00 0.00 57.72 55.17 2kum n HIS 39 Cb 0.65 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.70 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 -1.04 0.82 -0.13 2.39 2.34 -1.25 -4.84 118.68 116.98 2kum s LEU 40 Ca 0.35 -0.67 -0.07 0.00 0.06 0.00 0.00 54.13 53.80 2kum s LEU 40 Cb 0.18 1.43 -0.04 0.00 -0.56 0.00 0.00 46.19 47.20 2kum s LEU 40 CO 0.24 -0.88 0.14 -1.58 -1.06 0.00 0.00 176.35 173.21 2kum s GLN 41 N -3.90 3.51 -0.02 1.48 0.74 -1.26 -3.68 119.66 116.53 2kum s GLN 41 Ca 0.11 -0.13 -0.20 0.00 0.05 0.00 0.00 55.36 55.19 2kum s GLN 41 Cb 0.03 -3.21 0.04 0.00 1.10 0.00 0.00 33.01 30.97 2kum s GLN 41 CO -0.05 0.74 0.43 0.00 -0.55 0.00 0.00 175.29 175.87 2kum s ALA 42 N -0.91 -1.11 -0.49 1.58 0.00 -0.76 -4.66 121.76 115.42 2kum s ALA 42 Ca 0.15 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 2kum s ALA 42 Cb -0.12 0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.22 2kum s ALA 42 CO 0.04 -0.32 0.36 -0.06 0.00 0.00 0.00 175.76 175.78 2kum s PHE 43 N -1.45 3.43 -0.05 0.00 0.40 -0.65 -0.11 117.98 119.54 2kum s PHE 43 Ca -0.12 -1.89 -0.00 0.00 -0.60 0.00 0.00 56.93 54.32 2kum s PHE 43 Cb -0.03 -3.51 -0.03 0.00 0.51 0.00 0.00 43.02 39.96 2kum s PHE 43 CO 0.05 -0.99 -0.00 0.14 0.70 0.00 0.00 175.22 175.11 2kum s VAL 44 N 1.30 4.20 -0.18 -0.44 -7.23 -0.99 -2.24 120.40 114.82 2kum s VAL 44 Ca 0.06 -0.40 -0.09 0.00 -1.81 0.00 0.00 61.98 59.74 2kum s VAL 44 Cb -0.26 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2kum s VAL 44 CO -0.01 0.52 0.13 -0.76 -0.31 0.00 0.00 175.10 174.67 2kum s LEU 45 N -1.14 4.25 -0.50 1.32 1.43 0.53 -1.66 118.68 122.90 2kum s LEU 45 Ca 0.16 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 2kum s LEU 45 Cb -0.11 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.14 2kum s LEU 45 CO 0.05 0.23 0.43 -2.28 0.23 0.00 0.00 176.35 175.01 2kum s HIS 46 N 0.05 3.29 0.74 0.29 5.65 0.62 -0.98 115.29 124.94 2kum s HIS 46 Ca 0.10 -1.36 -0.10 0.00 0.25 0.00 0.00 55.06 53.95 2kum s HIS 46 Cb -0.11 -3.55 0.05 0.00 -1.18 0.00 0.00 32.58 27.79 2kum s HIS 46 CO -0.01 -0.96 1.10 -0.51 -0.65 0.00 0.00 174.74 173.71 2kum s LEU 47 N 1.54 2.73 0.00 8.88 1.02 0.20 -1.56 118.68 131.49 2kum s LEU 47 Ca 0.04 0.77 0.23 0.00 0.02 0.00 0.00 54.13 55.18 2kum s LEU 47 Cb -0.28 -3.39 1.35 0.00 0.02 0.00 0.00 46.19 43.89 2kum s LEU 47 CO 0.03 -1.64 1.77 0.00 0.02 0.00 0.00 176.35 176.53 2kum n ALA 48 N -3.09 2.45 -0.58 4.21 0.00 -0.36 -2.81 120.51 120.34 2kum n ALA 48 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kum n ALA 48 Cb 0.60 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.93 0.21 -3.65 0.00 3.00 -1.26 -5.12 117.38 109.62 2kum n GLN 49 Ca 0.17 -0.09 0.02 0.00 -0.01 0.00 0.00 57.00 57.09 2kum n GLN 49 Cb 0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.81 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 0.39 -0.01 -1.09 1.70 -1.12 -5.16 118.95 113.60 2kum s ARG 50 Ca 0.00 -0.22 0.02 0.00 -0.47 0.00 0.00 55.73 55.06 2kum s ARG 50 Cb 0.00 0.13 -0.00 0.00 -0.57 0.00 0.00 34.95 34.51 2kum s ARG 50 CO 0.00 -0.18 -0.08 -1.12 -1.08 0.00 0.00 175.30 172.84 2kum s SER 51 N -3.06 0.99 0.04 -2.89 0.01 -1.26 0.59 113.70 108.11 2kum s SER 51 Ca 0.16 -0.15 0.09 0.00 1.31 0.00 0.00 55.95 57.35 2kum s SER 51 Cb 0.04 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2kum s SER 51 CO -0.04 0.09 -0.25 -0.63 0.41 0.00 0.00 173.24 172.82 2kum s ILE 52 N -0.07 2.23 -0.26 1.44 1.01 -0.16 -4.59 121.20 120.80 2kum s ILE 52 Ca 0.01 -1.33 -0.10 0.00 0.00 0.00 0.00 60.65 59.23 2kum s ILE 52 Cb -0.05 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2kum s ILE 52 CO -0.00 0.39 0.17 0.00 0.00 0.00 0.00 174.94 175.49 2kum s ILE 54 N 1.50 2.35 0.19 0.00 1.01 -0.95 -0.19 121.20 125.10 2kum s ILE 54 Ca 0.07 -1.11 -0.32 0.00 0.00 0.00 0.00 60.65 59.29 2kum s ILE 54 Cb -0.15 -1.88 -0.11 0.00 0.01 0.00 0.00 42.46 40.33 2kum s ILE 54 CO 0.08 0.51 1.68 -2.28 0.00 0.00 0.00 174.94 174.92 2kum s HIS 55 N -0.71 2.91 0.27 3.97 5.65 -1.26 -1.63 115.29 124.49 2kum s HIS 55 Ca 0.11 0.42 0.01 0.00 0.25 0.00 0.00 55.06 55.85 2kum s HIS 55 Cb -0.10 -4.07 0.62 0.00 -1.18 0.00 0.00 32.58 27.85 2kum s HIS 55 CO 0.01 -4.05 1.71 -1.00 -0.65 0.00 0.00 174.74 170.76 2kum h PRO 56 N 6.91 0.43 -5.07 2.88 0.13 -1.86 -2.76 132.00 132.66 2kum h PRO 56 Ca -0.43 -0.03 -0.71 0.00 -0.87 0.00 0.00 66.00 63.96 2kum h PRO 56 Cb 1.20 -0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.08 2kum h PRO 56 CO 0.94 0.29 1.45 -0.65 -0.23 0.00 0.00 178.00 179.79 2kum s GLN 57 N -5.94 3.97 -0.08 0.86 1.11 -1.26 -4.90 119.66 113.42 2kum s GLN 57 Ca -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 55.36 52.94 2kum s GLN 57 Cb 0.23 -5.15 0.05 0.00 -1.01 0.00 0.00 33.01 27.13 2kum s GLN 57 CO 0.77 -1.88 0.18 1.21 0.01 0.00 0.00 175.29 175.58 2kum s ASN 58 N 3.33 0.16 0.51 5.90 2.47 -1.04 -5.03 114.94 121.24 2kum s ASN 58 Ca 0.43 0.38 0.25 0.00 0.42 0.00 0.00 52.86 54.35 2kum s ASN 58 Cb -0.02 0.31 1.35 0.00 -1.45 0.00 0.00 41.25 41.44 2kum s ASN 58 CO -0.00 -0.19 1.96 1.55 -3.72 0.00 0.00 177.10 176.69 2kum h PRO 59 N 7.68 0.07 -0.28 0.43 0.13 -1.91 -0.95 132.00 137.17 2kum h PRO 59 Ca -0.31 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2kum h PRO 59 Cb 1.13 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2kum h PRO 59 CO 0.30 0.05 0.00 1.03 -0.23 0.00 0.00 178.00 179.15 2kum h SER 60 N 0.08 0.39 0.06 1.44 0.87 -1.96 0.29 113.55 114.71 2kum h SER 60 Ca 0.32 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.63 2kum h SER 60 Cb 1.15 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2kum h SER 60 CO -0.03 0.45 -0.77 0.25 -0.53 0.00 0.00 176.83 176.20 2kum h LEU 61 N 0.41 0.57 -0.07 2.23 7.12 -1.54 -2.08 115.31 121.95 2kum h LEU 61 Ca 0.09 -0.83 0.00 0.00 0.13 0.00 0.00 57.88 57.27 2kum h LEU 61 Cb 0.27 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2kum h LEU 61 CO 0.01 1.34 0.05 0.28 -0.13 0.00 0.00 178.44 179.98 2kum h SER 62 N -0.13 0.08 -0.08 1.25 0.02 -1.19 -1.74 113.55 111.76 2kum h SER 62 Ca -0.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2kum h SER 62 Cb 1.51 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 2kum h SER 62 CO 0.15 0.08 0.02 1.56 -1.14 0.00 0.00 176.83 177.50 2kum h GLN 63 N 0.08 0.19 -0.02 3.45 4.20 -0.53 -1.45 115.11 121.04 2kum h GLN 63 Ca 0.03 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2kum h GLN 63 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2kum h GLN 63 CO -0.01 0.20 -0.35 2.35 -0.67 0.00 0.00 178.83 180.35 2kum h TRP 64 N 0.19 0.03 -0.76 2.96 -0.00 -0.60 0.14 115.95 117.91 2kum h TRP 64 Ca 0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.93 2kum h TRP 64 Cb 0.11 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.22 2kum h TRP 64 CO 0.00 0.38 0.45 0.74 -0.00 0.00 0.00 178.44 180.01 2kum h PHE 65 N 0.03 1.01 -0.00 2.65 0.04 -0.45 0.70 116.94 120.92 2kum h PHE 65 Ca 0.00 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2kum h PHE 65 Cb 0.64 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2kum h PHE 65 CO 0.00 0.69 -0.00 0.93 -0.60 0.00 0.00 178.31 179.33 2kum h GLU 66 N 1.05 0.01 -0.33 1.51 5.08 -1.27 -2.96 114.58 117.67 2kum h GLU 66 Ca 0.27 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2kum h GLU 66 Cb -0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2kum h GLU 66 CO -0.05 0.33 0.00 0.45 -1.00 0.00 0.00 179.01 178.75 2kum h HIS 67 N -0.32 0.63 0.00 4.33 3.86 -0.47 -2.62 115.15 120.57 2kum h HIS 67 Ca 0.00 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 2kum h HIS 67 Cb 0.33 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2kum h HIS 67 CO 0.04 0.70 -0.19 -0.56 0.86 0.00 0.00 177.93 178.77 2kum h GLN 68 N 0.39 0.00 0.00 2.45 3.07 0.32 0.10 115.11 121.44 2kum h GLN 68 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.81 2kum h GLN 68 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.00 2kum h GLN 68 CO 0.02 0.19 -0.12 1.49 0.09 0.00 0.00 178.83 180.49 2kum h GLU 69 N 0.00 0.00 -0.01 0.06 4.81 -1.29 -2.91 114.58 115.25 2kum h GLU 69 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kum h GLU 69 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2kum h GLU 69 CO 0.02 0.12 -0.14 2.89 -0.73 0.00 0.00 179.01 181.18 2kum n ARG 70 N -3.38 1.67 0.00 1.92 1.85 -0.22 -4.95 116.66 113.54 2kum n ARG 70 Ca -0.01 -0.71 0.00 0.00 -1.00 0.00 0.00 57.85 56.13 2kum n ARG 70 Cb 0.31 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 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 -0.06 3.72 -1.51 2.89 5.02 0.18 -4.81 118.16 123.59 2kum n LYS 71 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 2kum n LYS 71 Cb 0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.16 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 -1.05 0.00 -0.35 7.99 -1.26 -2.03 117.00 120.29 2kum n LEU 72 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 2kum n LEU 72 Cb 0.00 -2.11 0.00 0.00 -0.11 0.00 0.00 43.42 41.20 2kum n LEU 72 CO 0.00 -0.68 0.00 1.57 -1.51 0.00 0.00 177.39 176.77 2kum n HIS 73 N -2.08 0.00 0.00 -1.77 -0.00 -1.26 -1.95 115.22 108.16 2kum n HIS 73 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2kum n HIS 73 Cb 0.48 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.73 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 -2.00 1.63 3.13 1.57 0.00 -0.86 -5.10 105.19 103.56 2kum n GLY 74 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.19 0.05 2.61 -4.23 -0.82 -5.11 115.64 108.33 2kum s THR 75 Ca 0.00 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2kum s THR 75 Cb 0.00 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 2kum s THR 75 CO 0.00 0.46 0.11 -0.76 -0.54 0.00 0.00 174.62 173.90 2kum s LEU 76 N 1.29 1.77 0.00 4.79 1.43 -1.26 -4.87 118.68 121.83 2kum s LEU 76 Ca 0.04 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 2kum s LEU 76 Cb -0.14 0.69 0.19 0.00 0.03 0.00 0.00 46.19 46.96 2kum s LEU 76 CO -0.11 -0.59 1.15 -0.81 0.23 0.00 0.00 176.35 176.21 2kum n PRO 77 N 0.42 -0.81 -2.66 1.29 -0.04 -1.26 -4.97 135.00 126.96 2kum n PRO 77 Ca -0.17 -2.17 -0.43 0.00 -0.04 0.00 0.00 63.50 60.68 2kum n PRO 77 Cb 0.60 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 -3.33 3.31 -3.61 0.54 4.76 -1.26 -4.93 118.16 113.63 2kum n LYS 78 Ca 0.16 -3.53 -0.39 0.00 -2.87 0.00 0.00 58.31 51.67 2kum n LYS 78 Cb 0.55 -3.19 -0.11 0.00 -1.84 0.00 0.00 35.03 30.44 2kum n LYS 78 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kum s LEU 79 N 2.25 4.36 -1.15 -0.35 1.43 -1.26 -4.97 118.68 118.98 2kum s LEU 79 Ca 0.46 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2kum s LEU 79 Cb 0.02 -2.04 0.13 0.00 0.03 0.00 0.00 46.19 44.33 2kum s LEU 79 CO 0.02 -0.25 2.40 0.59 0.23 0.00 0.00 176.35 179.34 2kum n ASN 80 N 5.02 7.73 -1.35 2.29 3.02 -1.26 -4.77 115.26 125.94 2kum n ASN 80 Ca -0.13 -3.21 -0.01 0.00 -0.03 0.00 0.00 54.58 51.20 2kum n ASN 80 Cb 0.49 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 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 1.39 0.10 0.63 3.10 1.16 -1.26 -4.30 117.46 118.28 2kum n PHE 81 Ca 0.59 -0.87 0.10 0.00 -1.87 0.00 0.00 57.45 55.39 2kum n PHE 81 Cb 0.30 -0.43 0.42 0.00 -1.61 0.00 0.00 39.48 38.15 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 1.06 -1.20 0.10 4.97 0.00 -1.26 -1.94 105.19 106.91 2kum n GLY 82 Ca 0.02 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.61 0.22 0.00 1.61 0.00 -1.26 -4.49 117.12 111.59 2kum n MET 83 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.97 2kum n MET 83 Cb 0.24 -1.78 0.00 0.00 0.00 0.00 0.00 33.22 31.67 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 -2.18 0.00 -3.75 3.17 4.32 -0.82 -4.87 117.00 112.87 2kum n LEU 84 Ca 0.05 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.80 2kum n LEU 84 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2kum n LEU 84 CO 0.28 0.00 -0.18 0.54 -1.22 0.00 0.00 177.39 176.81 2kum n ARG 85 N -0.98 -1.40 0.00 3.23 1.74 -1.03 -1.47 116.66 116.75 2kum n ARG 85 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 2kum n ARG 85 Cb 0.00 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 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 -2.80 0.00 -0.27 5.56 3.00 -1.26 -4.71 118.16 117.68 2kum n LYS 86 Ca -0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.01 2kum n LYS 86 Cb 0.66 -1.22 0.07 0.00 0.00 0.00 0.00 35.03 34.54 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 -0.83 1.56 0.00 1.64 2.81 -0.54 -4.95 117.12 116.81 2kum n MET 87 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 57.70 55.14 2kum n MET 87 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89