#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 0.94 -0.41 -2.13 0.05 -1.26 -5.11 118.68 110.75 2kum s LEU 2 Ca 0.00 0.27 -0.29 0.00 0.05 0.00 0.00 54.13 54.16 2kum s LEU 2 Cb 0.00 1.10 0.01 0.00 -2.05 0.00 0.00 46.19 45.25 2kum s LEU 2 CO 0.00 -0.29 1.35 -0.76 -0.55 0.00 0.00 176.35 176.10 2kum s LEU 3 N -0.71 3.63 0.32 1.48 2.01 -1.26 -4.99 118.68 119.16 2kum s LEU 3 Ca -0.08 0.82 -0.29 0.00 0.01 0.00 0.00 54.13 54.59 2kum s LEU 3 Cb -0.04 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.51 2kum s LEU 3 CO 0.02 -1.36 1.39 -2.84 1.01 0.00 0.00 176.35 174.58 2kum s PRO 4 N 4.76 4.26 -0.06 1.29 0.02 -1.26 -4.78 135.00 139.23 2kum s PRO 4 Ca 0.58 2.34 -0.34 0.00 0.02 0.00 0.00 61.00 63.60 2kum s PRO 4 Cb -0.13 -3.05 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 2kum s PRO 4 CO 0.31 -0.35 1.82 -2.30 -0.33 0.00 0.00 177.00 176.15 2kum n PRO 5 N 1.08 2.11 -0.85 5.54 -0.02 -1.26 -0.79 135.00 140.81 2kum n PRO 5 Ca 0.02 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2kum n PRO 5 Cb 0.41 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 6.00 -1.94 -1.51 2.55 7.64 -1.26 -4.77 113.62 120.33 2kum n SER 6 Ca 0.22 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.00 2kum n SER 6 Cb 0.28 -1.60 0.09 0.00 -1.01 0.00 0.00 64.21 61.98 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 -2.21 2.18 -2.28 0.44 -1.04 0.03 -5.01 114.28 106.39 2kum n THR 7 Ca 0.00 -3.58 -0.43 0.00 -2.04 0.00 0.00 64.05 58.00 2kum n THR 7 Cb 0.11 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 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 -3.28 3.56 -0.52 2.41 0.00 -1.12 -4.30 121.76 118.50 2kum s ALA 8 Ca 0.43 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.98 2kum s ALA 8 Cb 0.39 -3.70 0.21 0.00 0.00 0.00 0.00 23.12 20.02 2kum s ALA 8 CO -0.02 -1.41 0.52 0.00 0.00 0.00 0.00 175.76 174.85 2kum n THR 11 N 4.72 1.10 -4.82 0.00 -2.24 -1.26 -4.88 114.28 106.90 2kum n THR 11 Ca -0.00 -1.00 -0.32 0.00 -2.27 0.00 0.00 64.05 60.46 2kum n THR 11 Cb 0.49 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 2kum n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kum s GLN 12 N -1.16 2.94 -0.31 -0.78 1.11 -1.26 -5.10 119.66 115.09 2kum s GLN 12 Ca 0.49 -0.83 -0.04 0.00 0.01 0.00 0.00 55.36 54.99 2kum s GLN 12 Cb 0.26 -2.33 0.04 0.00 -1.01 0.00 0.00 33.01 29.97 2kum s GLN 12 CO 0.32 0.04 0.05 -0.51 0.01 0.00 0.00 175.29 175.20 2kum s LEU 13 N 0.68 4.03 0.02 2.90 1.43 -1.26 -4.63 118.68 121.85 2kum s LEU 13 Ca -0.11 -1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 51.61 2kum s LEU 13 Cb -0.16 -1.80 -0.17 0.00 0.03 0.00 0.00 46.19 44.09 2kum s LEU 13 CO 0.02 -0.27 1.31 0.22 0.23 0.00 0.00 176.35 177.85 2kum h TYR 14 N 8.13 -0.36 0.00 0.29 3.20 -0.89 -3.46 116.97 123.87 2kum h TYR 14 Ca -0.24 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2kum h TYR 14 Cb 1.08 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2kum h TYR 14 CO 0.60 -0.04 0.00 0.54 -1.64 0.00 0.00 178.16 177.62 2kum n ARG 15 N -5.13 0.00 -2.39 1.82 1.74 -1.25 -4.96 116.66 106.48 2kum n ARG 15 Ca -0.10 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.62 2kum n ARG 15 Cb 0.25 -2.34 -0.02 0.00 -1.02 0.00 0.00 32.46 29.32 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 3.98 -0.19 5.56 -0.14 -1.26 -4.96 119.74 122.73 2kum s LYS 16 Ca 0.00 1.66 -0.29 0.00 -1.36 0.00 0.00 55.97 55.98 2kum s LYS 16 Cb 0.00 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 2kum s LYS 16 CO 0.00 -0.33 1.83 -2.14 -0.76 0.00 0.00 175.35 173.94 2kum s PRO 17 N -2.55 3.64 0.40 -1.68 0.02 -1.26 -4.92 135.00 128.65 2kum s PRO 17 Ca 0.60 1.86 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 2kum s PRO 17 Cb -0.26 -4.15 -0.09 0.00 0.02 0.00 0.00 34.50 30.02 2kum s PRO 17 CO 0.32 -1.49 1.04 -0.51 -0.33 0.00 0.00 177.00 176.03 2kum s LEU 18 N 5.98 4.12 0.22 -5.54 1.43 -1.26 -5.01 118.68 118.62 2kum s LEU 18 Ca 0.81 2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 55.63 2kum s LEU 18 Cb -0.29 -4.22 -0.08 0.00 0.03 0.00 0.00 46.19 41.63 2kum s LEU 18 CO 0.33 -0.49 1.00 -0.44 0.23 0.00 0.00 176.35 176.98 2kum s SER 19 N -1.62 7.49 0.44 2.29 0.01 -1.26 -4.94 113.70 116.11 2kum s SER 19 Ca 0.58 2.02 0.11 0.00 1.31 0.00 0.00 55.95 59.97 2kum s SER 19 Cb -0.21 -2.61 0.99 0.00 0.21 0.00 0.00 66.02 64.40 2kum s SER 19 CO 0.26 0.00 2.06 -0.78 0.41 0.00 0.00 173.24 175.19 2kum h ASP 20 N 4.45 0.34 -0.33 2.44 3.58 -1.98 -0.82 116.42 124.10 2kum h ASP 20 Ca -0.45 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.01 2kum h ASP 20 Cb 1.21 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 2kum h ASP 20 CO 0.69 0.24 0.18 0.11 -2.88 0.00 0.00 179.24 177.58 2kum h LYS 21 N 0.40 0.36 0.00 0.28 1.57 -2.01 -1.27 116.57 115.90 2kum h LYS 21 Ca 0.15 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2kum h LYS 21 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2kum h LYS 21 CO -0.03 0.24 -0.59 1.37 -0.57 0.00 0.00 179.45 179.87 2kum h LEU 22 N 0.38 0.00 -0.15 2.94 8.10 -1.79 -3.32 115.31 121.46 2kum h LEU 22 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.11 2kum h LEU 22 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 2kum h LEU 22 CO -0.08 0.59 0.06 -0.07 -4.11 0.00 0.00 178.44 174.83 2kum h LEU 23 N 0.00 0.22 -2.24 0.17 3.38 -0.32 -2.26 115.31 114.25 2kum h LEU 23 Ca -0.01 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2kum h LEU 23 Cb 1.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2kum h LEU 23 CO 0.08 0.33 0.26 0.08 0.09 0.00 0.00 178.44 179.28 2kum h ARG 24 N 0.09 0.00 -0.53 1.13 0.11 -1.36 0.23 114.38 114.05 2kum h ARG 24 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2kum h ARG 24 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2kum h ARG 24 CO -0.00 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.70 2kum n LYS 25 N -3.12 2.33 -2.42 0.08 5.02 -0.85 -4.17 118.16 115.03 2kum n LYS 25 Ca -0.01 -1.87 -0.42 0.00 -2.02 0.00 0.00 58.31 53.99 2kum n LYS 25 Cb 0.33 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.41 4.04 -0.11 -0.18 1.01 0.81 -2.72 120.40 121.85 2kum s VAL 26 Ca 0.34 1.46 0.14 0.00 0.00 0.00 0.00 61.98 63.92 2kum s VAL 26 Cb 0.19 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 2kum s VAL 26 CO 0.22 0.11 0.39 2.30 0.00 0.00 0.00 175.10 178.12 2kum n ILE 27 N 3.97 1.53 -3.66 2.22 -5.35 0.57 -4.83 119.36 113.81 2kum n ILE 27 Ca 0.09 -0.81 -0.12 0.00 -0.27 0.00 0.00 62.75 61.65 2kum n ILE 27 Cb 0.46 -0.85 -0.06 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.55 0.97 -0.20 6.28 -1.52 -1.07 -5.06 119.66 116.52 2kum s GLN 28 Ca -0.08 -0.53 -0.01 0.00 -1.95 0.00 0.00 55.36 52.79 2kum s GLN 28 Cb 0.07 0.43 0.01 0.00 -0.22 0.00 0.00 33.01 33.30 2kum s GLN 28 CO 0.82 -0.35 -0.13 0.08 -0.25 0.00 0.00 175.29 175.45 2kum s VAL 29 N -3.06 2.61 -0.15 1.09 1.01 -1.26 -1.21 120.40 119.44 2kum s VAL 29 Ca -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2kum s VAL 29 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2kum s VAL 29 CO -0.07 0.49 -0.01 -1.83 0.00 0.00 0.00 175.10 173.69 2kum s GLU 30 N 1.36 3.61 -0.32 2.72 -1.05 -0.32 -4.92 118.70 119.78 2kum s GLU 30 Ca 0.05 -0.46 -0.11 0.00 -0.15 0.00 0.00 54.97 54.31 2kum s GLU 30 Cb -0.14 -2.96 -0.02 0.00 -0.44 0.00 0.00 34.13 30.58 2kum s GLU 30 CO -0.09 0.34 0.19 -1.17 0.95 0.00 0.00 175.26 175.48 2kum s LEU 31 N 0.11 4.23 -0.44 1.83 2.96 -1.26 -1.30 118.68 124.82 2kum s LEU 31 Ca 0.01 -0.41 -0.24 0.00 -0.22 0.00 0.00 54.13 53.27 2kum s LEU 31 Cb -0.13 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.52 2kum s LEU 31 CO 0.02 -0.19 0.82 -1.58 -1.32 0.00 0.00 176.35 174.11 2kum s GLN 32 N 1.67 3.50 0.92 1.98 0.74 0.64 -4.98 119.66 124.14 2kum s GLN 32 Ca 0.06 0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.40 2kum s GLN 32 Cb -0.17 -3.91 0.14 0.00 1.10 0.00 0.00 33.01 30.17 2kum s GLN 32 CO 0.08 -1.09 1.09 -1.21 -0.55 0.00 0.00 175.29 173.61 2kum s GLU 33 N 3.37 1.05 0.07 1.67 2.02 -1.25 -0.79 118.70 124.84 2kum s GLU 33 Ca 0.32 0.96 0.19 0.00 0.02 0.00 0.00 54.97 56.46 2kum s GLU 33 Cb -0.12 -1.77 0.78 0.00 0.10 0.00 0.00 34.13 33.12 2kum s GLU 33 CO 0.22 -2.43 1.58 0.00 0.02 0.00 0.00 175.26 174.66 2kum n ALA 34 N -4.03 1.75 -1.42 5.21 0.00 -1.26 -3.60 120.51 117.16 2kum n ALA 34 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2kum n ALA 34 Cb 0.54 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.72 -0.11 -4.03 0.00 2.03 -0.98 -1.62 116.55 110.11 2kum n ASP 35 Ca 0.04 -0.33 -0.33 0.00 0.52 0.00 0.00 54.79 54.69 2kum n ASP 35 Cb 0.21 0.03 -0.13 0.00 -0.72 0.00 0.00 41.12 40.52 2kum n ASP 35 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kum s GLY 36 N -0.11 2.22 0.00 0.27 0.00 -1.25 -4.54 107.32 103.91 2kum s GLY 36 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 44.72 41.81 2kum s GLY 36 CO 0.00 1.01 0.00 1.34 0.00 0.00 0.00 173.10 175.45 2kum n ASP 37 N 3.81 0.00 -3.64 1.64 2.03 -1.26 -3.90 116.55 115.24 2kum n ASP 37 Ca 0.04 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.24 2kum n ASP 37 Cb 0.38 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.73 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 -3.38 3.27 -0.02 0.00 -3.43 -1.26 -2.32 115.29 108.15 2kum s HIS 39 Ca 0.00 1.10 -0.02 0.00 -0.80 0.00 0.00 55.06 55.34 2kum s HIS 39 Cb 0.01 -3.04 0.01 0.00 -1.43 0.00 0.00 32.58 28.12 2kum s HIS 39 CO -0.09 -1.23 0.03 -0.11 -2.00 0.00 0.00 174.74 171.34 2kum n LEU 40 N -3.05 -3.11 -4.72 5.38 -0.00 -0.64 -4.78 117.00 106.07 2kum n LEU 40 Ca 0.07 0.66 -0.42 0.00 -0.00 0.00 0.00 56.01 56.32 2kum n LEU 40 Cb 0.57 -1.57 -0.03 0.00 -0.00 0.00 0.00 43.42 42.38 2kum n LEU 40 CO 0.57 -0.87 0.82 -1.58 -0.00 0.00 0.00 177.39 176.33 2kum s GLN 41 N -1.31 4.52 -0.07 1.96 0.74 -1.24 -4.62 119.66 119.65 2kum s GLN 41 Ca -0.03 1.70 -0.05 0.00 0.05 0.00 0.00 55.36 57.02 2kum s GLN 41 Cb 0.00 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.81 2kum s GLN 41 CO 0.09 -0.08 0.17 0.00 -0.55 0.00 0.00 175.29 174.92 2kum s ALA 42 N 0.47 -0.40 -0.53 1.58 0.00 0.03 -4.44 121.76 118.47 2kum s ALA 42 Ca 0.54 0.56 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 2kum s ALA 42 Cb -0.28 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.56 2kum s ALA 42 CO 0.32 -0.10 0.66 -0.06 0.00 0.00 0.00 175.76 176.57 2kum s PHE 43 N 0.40 3.02 -0.18 0.00 0.08 0.44 -0.26 117.98 121.47 2kum s PHE 43 Ca -0.03 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.35 2kum s PHE 43 Cb -0.04 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 2kum s PHE 43 CO -0.02 -1.11 0.02 0.08 -0.10 0.00 0.00 175.22 174.09 2kum s VAL 44 N 2.70 4.28 -0.23 -0.44 1.01 -0.42 -2.32 120.40 124.98 2kum s VAL 44 Ca 0.15 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2kum s VAL 44 Cb -0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2kum s VAL 44 CO 0.11 0.46 0.38 -0.76 0.00 0.00 0.00 175.10 175.28 2kum s LEU 45 N 0.59 4.11 -0.53 3.92 1.43 0.09 -1.17 118.68 127.13 2kum s LEU 45 Ca 0.00 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 2kum s LEU 45 Cb -0.14 -2.46 0.13 0.00 0.03 0.00 0.00 46.19 43.75 2kum s LEU 45 CO 0.02 -0.10 0.44 -2.28 0.23 0.00 0.00 176.35 174.66 2kum s HIS 46 N 1.54 3.36 0.77 0.29 2.46 -0.35 -0.29 115.29 123.08 2kum s HIS 46 Ca 0.17 -1.62 -0.11 0.00 0.47 0.00 0.00 55.06 53.96 2kum s HIS 46 Cb -0.15 -3.65 0.06 0.00 -0.13 0.00 0.00 32.58 28.70 2kum s HIS 46 CO 0.08 -1.00 1.10 -0.51 -2.47 0.00 0.00 174.74 171.94 2kum s LEU 47 N 1.38 2.67 0.26 8.88 1.02 0.16 -0.31 118.68 132.74 2kum s LEU 47 Ca 0.05 1.24 0.20 0.00 0.02 0.00 0.00 54.13 55.65 2kum s LEU 47 Cb -0.27 -3.90 1.00 0.00 0.02 0.00 0.00 46.19 43.04 2kum s LEU 47 CO 0.01 -1.80 1.62 0.00 0.02 0.00 0.00 176.35 176.20 2kum n ALA 48 N -3.32 1.29 -0.07 4.21 0.00 -1.10 -2.76 120.51 118.77 2kum n ALA 48 Ca 0.07 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 2kum n ALA 48 Cb 0.57 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.17 1.26 -3.64 0.00 3.00 -1.26 -5.09 117.38 109.49 2kum n GLN 49 Ca 0.00 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.97 2kum n GLN 49 Cb 0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 30.24 29.03 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 -2.30 1.02 0.01 -1.09 1.04 -1.11 -5.12 118.95 111.40 2kum s ARG 50 Ca -0.13 -0.49 -0.05 0.00 -1.04 0.00 0.00 55.73 54.01 2kum s ARG 50 Cb 0.04 0.39 -0.05 0.00 -2.04 0.00 0.00 34.95 33.30 2kum s ARG 50 CO 0.42 -0.46 0.24 -1.12 -0.04 0.00 0.00 175.30 174.35 2kum s SER 51 N -2.74 6.45 -0.14 -2.89 0.01 -1.26 -0.67 113.70 112.46 2kum s SER 51 Ca 0.09 0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.85 2kum s SER 51 Cb -0.01 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2kum s SER 51 CO -0.03 0.25 -0.18 -0.63 0.41 0.00 0.00 173.24 173.06 2kum s ILE 52 N -1.32 2.47 -0.27 1.44 1.01 0.60 -4.96 121.20 120.17 2kum s ILE 52 Ca 0.28 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2kum s ILE 52 Cb -0.13 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 2kum s ILE 52 CO 0.17 0.53 0.17 0.00 0.00 0.00 0.00 174.94 175.81 2kum s ILE 54 N 1.61 1.61 0.19 0.00 1.01 -0.98 -0.10 121.20 124.55 2kum s ILE 54 Ca 0.07 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 2kum s ILE 54 Cb -0.15 -1.35 -0.08 0.00 0.01 0.00 0.00 42.46 40.89 2kum s ILE 54 CO 0.09 0.46 1.14 -2.28 0.00 0.00 0.00 174.94 174.35 2kum s HIS 55 N -0.42 3.52 1.11 3.97 5.65 -1.26 -0.42 115.29 127.43 2kum s HIS 55 Ca 0.06 1.54 -0.17 0.00 0.25 0.00 0.00 55.06 56.74 2kum s HIS 55 Cb -0.08 -3.34 0.13 0.00 -1.18 0.00 0.00 32.58 28.10 2kum s HIS 55 CO -0.00 -0.85 0.25 -2.30 -0.65 0.00 0.00 174.74 171.19 2kum n PRO 56 N 2.30 -1.58 -0.66 2.88 -0.02 -1.26 -3.08 135.00 133.57 2kum n PRO 56 Ca 0.03 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 2kum n PRO 56 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 -2.58 0.00 -2.71 -0.52 1.13 -1.26 -4.97 117.38 106.47 2kum n GLN 57 Ca 0.02 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 2kum n GLN 57 Cb 0.60 -3.43 -0.03 0.00 0.11 0.00 0.00 30.24 27.48 2kum n GLN 57 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2kum s ASN 58 N -2.55 7.28 0.46 1.08 2.47 -1.18 -4.93 114.94 117.58 2kum s ASN 58 Ca 0.00 1.56 0.24 0.00 0.42 0.00 0.00 52.86 55.09 2kum s ASN 58 Cb 0.00 -2.55 1.26 0.00 -1.45 0.00 0.00 41.25 38.51 2kum s ASN 58 CO 0.00 -0.36 1.82 1.55 -3.72 0.00 0.00 177.10 176.39 2kum h PRO 59 N 6.98 0.24 -0.24 0.43 0.13 -1.93 -1.24 132.00 136.36 2kum h PRO 59 Ca -0.35 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.79 2kum h PRO 59 Cb 1.18 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2kum h PRO 59 CO 0.81 0.16 0.08 0.66 -0.23 0.00 0.00 178.00 179.47 2kum h SER 60 N 0.24 0.08 -0.30 1.44 4.64 -1.91 0.10 113.55 117.84 2kum h SER 60 Ca 0.53 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.74 2kum h SER 60 Cb 1.63 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 2kum h SER 60 CO -0.16 0.08 -0.36 0.25 -0.87 0.00 0.00 176.83 175.77 2kum h LEU 61 N 0.19 0.84 -0.10 5.97 7.12 -1.60 -0.41 115.31 127.31 2kum h LEU 61 Ca 0.11 -0.49 -0.00 0.00 0.13 0.00 0.00 57.88 57.63 2kum h LEU 61 Cb 0.08 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 39.97 2kum h LEU 61 CO -0.12 1.16 0.06 -1.28 -0.13 0.00 0.00 178.44 178.13 2kum h SER 62 N 0.54 0.12 0.12 1.25 0.87 -1.28 0.64 113.55 115.81 2kum h SER 62 Ca 0.04 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2kum h SER 62 Cb 0.95 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2kum h SER 62 CO 0.09 0.14 -0.16 1.56 -0.53 0.00 0.00 176.83 177.92 2kum h GLN 63 N 0.09 0.10 -0.10 2.24 4.20 -0.77 -1.87 115.11 119.00 2kum h GLN 63 Ca 0.04 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 2kum h GLN 63 Cb 0.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2kum h GLN 63 CO -0.01 0.26 -0.50 2.35 -0.67 0.00 0.00 178.83 180.26 2kum h TRP 64 N 0.09 0.33 -0.60 2.96 -0.00 -0.21 0.38 115.95 118.90 2kum h TRP 64 Ca 0.02 -0.11 0.08 0.00 -0.00 0.00 0.00 58.89 58.88 2kum h TRP 64 Cb 0.34 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.16 29.37 2kum h TRP 64 CO 0.00 0.72 0.26 0.74 -0.00 0.00 0.00 178.44 180.16 2kum h PHE 65 N 0.21 0.46 -0.11 2.65 0.04 -0.04 0.83 116.94 120.98 2kum h PHE 65 Ca 0.01 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2kum h PHE 65 Cb 0.96 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.00 2kum h PHE 65 CO 0.02 0.16 -0.22 0.93 -0.60 0.00 0.00 178.31 178.60 2kum h GLU 66 N 0.47 0.35 -0.15 1.51 4.39 -1.41 -3.03 114.58 116.71 2kum h GLU 66 Ca 0.29 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 2kum h GLU 66 Cb 0.31 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2kum h GLU 66 CO -0.26 0.82 -0.32 0.45 -1.16 0.00 0.00 179.01 178.54 2kum h HIS 67 N -0.08 0.34 0.00 4.33 3.86 -0.52 -2.24 115.15 120.83 2kum h HIS 67 Ca 0.00 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 2kum h HIS 67 Cb 0.81 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2kum h HIS 67 CO 0.11 0.59 -0.49 -0.56 0.86 0.00 0.00 177.93 178.44 2kum h GLN 68 N 0.26 0.00 0.00 2.45 3.07 0.62 -2.17 115.11 119.33 2kum h GLN 68 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.75 2kum h GLN 68 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.26 2kum h GLN 68 CO 0.05 0.49 -0.13 1.49 0.09 0.00 0.00 178.83 180.82 2kum h GLU 69 N 0.00 0.00 -0.38 0.06 4.81 -1.27 -2.17 114.58 115.62 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 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2kum h GLU 69 CO 0.06 0.13 0.00 2.89 -0.73 0.00 0.00 179.01 181.36 2kum n ARG 70 N -3.99 3.13 0.00 1.92 1.85 -0.87 -4.70 116.66 114.00 2kum n ARG 70 Ca -0.02 -2.57 0.00 0.00 -1.00 0.00 0.00 57.85 54.26 2kum n ARG 70 Cb 0.22 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 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 0.25 0.72 0.00 2.89 5.02 -0.82 -4.98 118.16 121.25 2kum n LYS 71 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2kum n LYS 71 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 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 0.00 0.00 -0.35 4.32 -1.26 -2.47 117.00 117.24 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 0.00 1.57 -1.22 0.00 0.00 177.39 177.74 2kum n HIS 73 N 0.00 0.00 -0.02 -1.77 -0.00 -1.26 -4.93 115.22 107.24 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 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 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 0.42 3.59 1.57 0.00 -1.03 -5.04 105.19 104.70 2kum n GLY 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.15 4.00 0.04 2.61 -4.23 -1.26 -5.00 115.64 109.65 2kum s THR 75 Ca 0.00 0.93 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 2kum s THR 75 Cb 0.00 -4.60 -0.02 0.00 1.34 0.00 0.00 72.50 69.22 2kum s THR 75 CO 0.00 -1.19 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.02 2kum s LEU 76 N 5.12 2.21 0.93 4.79 1.43 -1.26 -5.01 118.68 126.88 2kum s LEU 76 Ca 0.47 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2kum s LEU 76 Cb -0.09 -0.41 0.20 0.00 0.03 0.00 0.00 46.19 45.93 2kum s LEU 76 CO 0.27 -0.07 1.27 -2.16 0.23 0.00 0.00 176.35 175.89 2kum s PRO 77 N -1.32 0.68 -1.37 1.29 0.04 -1.26 -4.95 135.00 128.10 2kum s PRO 77 Ca -0.03 -0.71 -0.07 0.00 0.04 0.00 0.00 61.00 60.23 2kum s PRO 77 Cb -0.08 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.58 2kum s PRO 77 CO 0.01 -2.31 2.45 1.17 0.04 0.00 0.00 177.00 178.36 2kum n LYS 78 N -3.60 4.37 -0.34 4.56 3.00 -1.26 -4.59 118.16 120.30 2kum n LYS 78 Ca 0.17 -3.24 0.03 0.00 -0.00 0.00 0.00 58.31 55.26 2kum n LYS 78 Cb 0.60 -2.68 0.16 0.00 0.00 0.00 0.00 35.03 33.10 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kum n LEU 79 N 2.21 2.75 -3.16 3.14 -0.00 -1.26 -4.89 117.00 115.80 2kum n LEU 79 Ca 0.64 -1.39 -0.05 0.00 -0.00 0.00 0.00 56.01 55.21 2kum n LEU 79 Cb 0.25 -0.54 0.01 0.00 -0.00 0.00 0.00 43.42 43.14 2kum n LEU 79 CO 0.73 0.40 0.25 0.59 -0.00 0.00 0.00 177.39 179.35 2kum n ASN 80 N 0.25 -7.36 -0.81 1.45 3.02 -1.26 -4.88 115.26 105.67 2kum n ASN 80 Ca 0.11 -0.26 0.01 0.00 -0.03 0.00 0.00 54.58 54.41 2kum n ASN 80 Cb 0.59 -5.00 0.08 0.00 -0.61 0.00 0.00 39.78 34.84 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 -2.12 0.44 -2.57 3.10 1.16 -1.26 -3.79 117.46 112.41 2kum n PHE 81 Ca -0.04 -0.18 -0.15 0.00 -1.87 0.00 0.00 57.45 55.21 2kum n PHE 81 Cb 0.53 -0.20 0.02 0.00 -1.61 0.00 0.00 39.48 38.23 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 0.13 3.41 0.00 4.97 0.00 -1.26 -4.61 105.19 107.83 2kum n GLY 82 Ca 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.32 0.00 -0.00 1.61 0.00 -1.06 -4.92 117.12 112.43 2kum n MET 83 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.74 2kum n MET 83 Cb 0.78 -0.39 0.00 0.00 0.00 0.00 0.00 33.22 33.61 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 0.00 0.00 -4.52 3.17 -0.00 -1.22 -4.59 117.00 109.83 2kum n LEU 84 Ca 0.00 -0.46 -0.43 0.00 -0.00 0.00 0.00 56.01 55.13 2kum n LEU 84 Cb 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.71 2kum n LEU 84 CO 0.00 0.48 0.32 -0.13 -0.00 0.00 0.00 177.39 178.06 2kum s ARG 85 N 0.00 3.35 -1.70 1.47 0.52 -1.26 -3.39 118.95 117.94 2kum s ARG 85 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2kum s ARG 85 Cb 0.00 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.55 2kum s ARG 85 CO 0.00 -0.91 0.00 1.17 0.02 0.00 0.00 175.30 175.58 2kum n LYS 86 N 6.08 -1.70 -2.72 3.54 4.81 -1.26 -2.29 118.16 124.61 2kum n LYS 86 Ca -0.03 0.95 -0.04 0.00 -0.87 0.00 0.00 58.31 58.33 2kum n LYS 86 Cb 0.48 -5.50 0.00 0.00 0.02 0.00 0.00 35.03 30.03 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2kum n MET 87 N -2.72 -1.63 0.00 1.64 2.81 -1.22 -5.22 117.12 110.78 2kum n MET 87 Ca -0.21 1.65 0.00 0.00 -1.81 0.00 0.00 57.70 57.33 2kum n MET 87 Cb 0.65 -5.08 0.00 0.00 -0.71 0.00 0.00 33.22 28.08 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89