#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 3.80 -0.12 -2.13 0.20 -1.26 -4.92 118.68 114.25 2kum s LEU 2 Ca 0.00 1.95 -0.29 0.00 0.69 0.00 0.00 54.13 56.48 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 -1.55 1.66 -0.76 -0.29 0.00 0.00 176.35 175.41 2kum s LEU 3 N 6.47 4.14 0.20 -0.68 2.01 -1.26 -4.95 118.68 124.61 2kum s LEU 3 Ca 0.88 2.00 -0.32 0.00 0.01 0.00 0.00 54.13 56.71 2kum s LEU 3 Cb -0.32 -3.53 -0.11 0.00 0.01 0.00 0.00 46.19 42.23 2kum s LEU 3 CO 0.35 -1.08 1.66 -2.84 1.01 0.00 0.00 176.35 175.45 2kum s PRO 4 N 4.33 4.16 0.04 1.29 0.02 -1.26 -4.91 135.00 138.67 2kum s PRO 4 Ca 0.73 2.52 -0.35 0.00 0.02 0.00 0.00 61.00 63.92 2kum s PRO 4 Cb -0.30 -3.10 -0.14 0.00 0.02 0.00 0.00 34.50 30.98 2kum s PRO 4 CO 0.29 -0.69 1.62 -2.30 -0.33 0.00 0.00 177.00 175.59 2kum n PRO 5 N 3.83 1.83 -2.12 5.54 -0.02 -1.26 -1.09 135.00 141.71 2kum n PRO 5 Ca 0.14 0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 2kum n PRO 5 Cb 0.37 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 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 4.21 -4.49 -3.61 2.55 7.64 -1.26 -4.97 113.62 113.70 2kum n SER 6 Ca 0.20 0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.84 2kum n SER 6 Cb 0.25 -3.58 -0.13 0.00 -1.01 0.00 0.00 64.21 59.75 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 -2.69 0.79 -0.37 0.44 2.01 -0.25 -5.10 115.64 110.47 2kum s THR 7 Ca 0.00 -2.02 -0.08 0.00 0.31 0.00 0.00 61.69 59.90 2kum s THR 7 Cb 0.00 -1.57 0.05 0.00 0.01 0.00 0.00 72.50 70.99 2kum s THR 7 CO 0.00 -0.90 0.17 0.00 -0.69 0.00 0.00 174.62 173.20 2kum s ALA 8 N 0.85 3.16 -0.40 7.40 0.00 -1.26 -4.35 121.76 127.16 2kum s ALA 8 Ca 0.16 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.26 2kum s ALA 8 Cb -0.23 -2.45 0.16 0.00 0.00 0.00 0.00 23.12 20.61 2kum s ALA 8 CO -0.04 -1.46 0.39 0.00 0.00 0.00 0.00 175.76 174.65 2kum n THR 11 N 0.84 0.09 -3.59 0.00 -2.24 -1.26 -4.93 114.28 103.20 2kum n THR 11 Ca -0.13 -0.51 -0.40 0.00 -2.27 0.00 0.00 64.05 60.73 2kum n THR 11 Cb 0.52 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.09 2.52 -0.39 -0.78 1.11 -1.26 -5.05 119.66 115.72 2kum s GLN 12 Ca 0.00 -1.93 -0.18 0.00 0.01 0.00 0.00 55.36 53.26 2kum s GLN 12 Cb 0.00 -3.90 0.01 0.00 -1.01 0.00 0.00 33.01 28.11 2kum s GLN 12 CO 0.00 -1.19 0.49 -0.51 0.01 0.00 0.00 175.29 174.10 2kum s LEU 13 N 1.05 4.55 0.04 2.90 1.43 -1.26 -4.24 118.68 123.14 2kum s LEU 13 Ca 0.09 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2kum s LEU 13 Cb -0.24 -2.51 -0.17 0.00 0.03 0.00 0.00 46.19 43.30 2kum s LEU 13 CO -0.02 -0.55 1.37 0.22 0.23 0.00 0.00 176.35 177.60 2kum h TYR 14 N 8.62 -0.75 -5.14 0.29 3.20 -0.92 -3.46 116.97 118.81 2kum h TYR 14 Ca -0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2kum h TYR 14 Cb 1.12 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.64 2kum h TYR 14 CO 0.69 -0.42 -0.05 0.54 -1.64 0.00 0.00 178.16 177.28 2kum n ARG 15 N -5.37 -1.32 -3.64 1.82 1.74 -1.26 -5.02 116.66 103.61 2kum n ARG 15 Ca -0.12 1.48 -0.04 0.00 -0.77 0.00 0.00 57.85 58.39 2kum n ARG 15 Cb 0.35 -5.37 -0.06 0.00 -1.02 0.00 0.00 32.46 26.36 2kum n ARG 15 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2kum s LYS 16 N -2.94 0.18 0.01 5.56 2.20 -1.26 -5.10 119.74 118.40 2kum s LYS 16 Ca 0.03 0.15 -0.33 0.00 -0.36 0.00 0.00 55.97 55.46 2kum s LYS 16 Cb -0.01 0.09 -0.11 0.00 -1.51 0.00 0.00 37.83 36.29 2kum s LYS 16 CO 0.68 -0.04 1.85 -2.30 -0.36 0.00 0.00 175.35 175.19 2kum n PRO 17 N 1.33 2.44 -2.51 4.03 -0.02 -1.26 -4.75 135.00 134.26 2kum n PRO 17 Ca -0.08 0.89 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 2kum n PRO 17 Cb 0.57 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.46 3.62 0.09 2.45 1.43 -1.26 -5.03 118.68 123.44 2kum s LEU 18 Ca 0.88 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 2kum s LEU 18 Cb -0.60 -4.17 -0.06 0.00 0.03 0.00 0.00 46.19 41.39 2kum s LEU 18 CO 0.45 -0.58 1.18 -0.44 0.23 0.00 0.00 176.35 177.19 2kum s SER 19 N -3.58 7.12 0.53 2.29 0.01 -1.26 -4.91 113.70 113.90 2kum s SER 19 Ca 0.53 2.04 0.19 0.00 1.31 0.00 0.00 55.95 60.02 2kum s SER 19 Cb -0.10 -2.59 1.37 0.00 0.21 0.00 0.00 66.02 64.91 2kum s SER 19 CO 0.39 -0.41 2.14 -0.78 0.41 0.00 0.00 173.24 175.00 2kum h ASP 20 N 6.33 0.00 -0.35 2.44 3.58 -1.98 -1.16 116.42 125.29 2kum h ASP 20 Ca -0.42 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.07 2kum h ASP 20 Cb 1.21 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2kum h ASP 20 CO 0.79 0.00 0.13 0.11 -2.88 0.00 0.00 179.24 177.38 2kum h LYS 21 N 0.00 0.27 -0.01 0.28 1.79 -2.01 -0.93 116.57 115.97 2kum h LYS 21 Ca 0.03 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 2kum h LYS 21 Cb 0.13 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2kum h LYS 21 CO -0.00 0.18 -0.78 1.37 -1.08 0.00 0.00 179.45 179.13 2kum h LEU 22 N 0.28 0.11 -0.88 2.94 8.10 -1.70 -3.28 115.31 120.87 2kum h LEU 22 Ca 0.16 -0.09 -0.00 0.00 0.11 0.00 0.00 57.88 58.06 2kum h LEU 22 Cb 0.13 -0.03 -0.04 0.00 -0.44 0.00 0.00 40.66 40.27 2kum h LEU 22 CO -0.16 0.85 0.53 -0.07 -4.11 0.00 0.00 178.44 175.48 2kum h LEU 23 N 0.05 1.06 0.00 0.17 3.38 -0.52 -1.65 115.31 117.81 2kum h LEU 23 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kum h LEU 23 Cb 1.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2kum h LEU 23 CO 0.11 0.81 0.00 -2.11 0.09 0.00 0.00 178.44 177.34 2kum n ARG 24 N -4.41 0.23 0.00 1.13 1.85 -0.42 -0.41 116.66 114.63 2kum n ARG 24 Ca 0.09 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.98 2kum n ARG 24 Cb 0.06 -1.38 0.03 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 -0.88 0.42 -2.20 2.89 5.02 -0.62 -4.55 118.16 118.23 2kum n LYS 25 Ca 0.04 -0.88 -0.41 0.00 -2.02 0.00 0.00 58.31 55.04 2kum n LYS 25 Cb 0.02 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.71 3.62 0.21 -0.18 1.01 0.45 -4.05 120.40 120.75 2kum s VAL 26 Ca 0.08 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.66 2kum s VAL 26 Cb 0.06 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 2kum s VAL 26 CO 0.11 -0.86 1.48 0.16 0.00 0.00 0.00 175.10 176.00 2kum h ILE 27 N 6.62 1.46 -3.29 2.22 3.07 -1.46 -3.46 117.51 122.67 2kum h ILE 27 Ca -0.28 -2.34 -0.09 0.00 1.55 0.00 0.00 64.86 63.70 2kum h ILE 27 Cb 1.13 2.26 -0.16 0.00 -0.27 0.00 0.00 36.82 39.77 2kum h ILE 27 CO 1.14 0.68 -0.22 -1.10 -1.05 0.00 0.00 178.15 177.60 2kum s GLN 28 N -3.45 0.84 -0.09 0.16 -1.52 -1.07 -5.00 119.66 109.52 2kum s GLN 28 Ca -0.03 -0.51 0.02 0.00 -1.95 0.00 0.00 55.36 52.89 2kum s GLN 28 Cb 0.11 0.36 -0.02 0.00 -0.22 0.00 0.00 33.01 33.25 2kum s GLN 28 CO 0.80 -0.28 -0.16 0.08 -0.25 0.00 0.00 175.29 175.49 2kum s VAL 29 N -2.66 2.83 0.00 1.09 1.01 -1.26 -2.12 120.40 119.29 2kum s VAL 29 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2kum s VAL 29 Cb -0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2kum s VAL 29 CO -0.04 0.56 -0.13 -1.83 0.00 0.00 0.00 175.10 173.66 2kum s GLU 30 N -0.10 0.98 -0.34 2.72 -1.05 -1.09 -4.93 118.70 114.89 2kum s GLU 30 Ca -0.03 -0.51 -0.10 0.00 -0.15 0.00 0.00 54.97 54.18 2kum s GLU 30 Cb -0.14 -0.95 0.01 0.00 -0.44 0.00 0.00 34.13 32.61 2kum s GLU 30 CO 0.04 0.26 0.18 -1.17 0.95 0.00 0.00 175.26 175.51 2kum s LEU 31 N -0.48 4.38 -0.54 1.83 2.96 -1.26 -2.19 118.68 123.39 2kum s LEU 31 Ca 0.04 -0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 2kum s LEU 31 Cb -0.05 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.66 2kum s LEU 31 CO -0.00 -0.28 1.18 -1.58 -1.32 0.00 0.00 176.35 174.34 2kum s GLN 32 N 1.58 3.60 0.27 1.98 0.74 0.10 -4.97 119.66 122.96 2kum s GLN 32 Ca 0.03 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.55 2kum s GLN 32 Cb -0.18 -3.97 -0.09 0.00 1.10 0.00 0.00 33.01 29.87 2kum s GLN 32 CO 0.06 -1.56 0.96 -1.21 -0.55 0.00 0.00 175.29 172.99 2kum s GLU 33 N 4.76 4.76 -0.02 1.67 2.02 -1.26 -1.26 118.70 129.36 2kum s GLU 33 Ca 0.45 1.49 0.03 0.00 0.02 0.00 0.00 54.97 56.96 2kum s GLU 33 Cb -0.07 -3.14 0.12 0.00 0.10 0.00 0.00 34.13 31.13 2kum s GLU 33 CO 0.28 0.42 0.87 0.00 0.02 0.00 0.00 175.26 176.85 2kum n ALA 34 N 1.21 2.62 0.00 5.21 0.00 -1.24 -1.79 120.51 126.52 2kum n ALA 34 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 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 -0.01 0.00 0.08 0.00 2.03 -0.55 -4.10 116.55 114.01 2kum n ASP 35 Ca 0.04 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.39 2kum n ASP 35 Cb 0.27 0.43 0.42 0.00 -0.72 0.00 0.00 41.12 41.53 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 0.37 0.00 0.27 0.00 -1.99 -3.39 103.07 98.32 2kum h GLY 36 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2kum h GLY 36 CO 0.00 0.17 -0.06 1.34 0.00 0.00 0.00 176.54 177.99 2kum n ASP 37 N -4.38 0.53 -2.01 0.19 -0.08 -1.24 -5.05 116.55 104.51 2kum n ASP 37 Ca 0.00 0.07 -0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2kum n ASP 37 Cb 0.17 -0.21 -0.00 0.00 2.34 0.00 0.00 41.12 43.42 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 -0.33 0.00 -4.12 0.00 1.44 -1.26 -1.48 115.22 109.47 2kum n HIS 39 Ca -0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2kum n HIS 39 Cb 0.00 -0.05 -0.11 0.00 0.12 0.00 0.00 29.99 29.95 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 -2.62 2.36 -0.12 2.39 0.05 -1.26 -4.73 118.68 114.75 2kum s LEU 40 Ca 0.18 -0.73 -0.09 0.00 0.05 0.00 0.00 54.13 53.53 2kum s LEU 40 Cb 0.18 -0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 44.11 2kum s LEU 40 CO 0.62 -0.29 0.19 -1.58 -0.55 0.00 0.00 176.35 174.74 2kum s GLN 41 N -2.46 3.66 -0.11 1.48 0.74 -1.26 -3.66 119.66 118.05 2kum s GLN 41 Ca -0.01 -0.05 -0.16 0.00 0.05 0.00 0.00 55.36 55.19 2kum s GLN 41 Cb -0.04 -3.24 0.04 0.00 1.10 0.00 0.00 33.01 30.87 2kum s GLN 41 CO -0.01 0.67 0.42 0.00 -0.55 0.00 0.00 175.29 175.82 2kum s ALA 42 N -0.76 -1.04 -0.51 1.58 0.00 -0.39 -4.52 121.76 116.12 2kum s ALA 42 Ca 0.15 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 2kum s ALA 42 Cb -0.13 -0.43 0.12 0.00 0.00 0.00 0.00 23.12 22.68 2kum s ALA 42 CO 0.05 -0.23 0.44 -0.06 0.00 0.00 0.00 175.76 175.95 2kum s PHE 43 N -0.32 3.30 -0.23 0.00 0.08 0.11 0.01 117.98 120.93 2kum s PHE 43 Ca -0.05 -1.44 -0.10 0.00 0.12 0.00 0.00 56.93 55.47 2kum s PHE 43 Cb -0.03 -3.63 -0.05 0.00 -0.57 0.00 0.00 43.02 38.74 2kum s PHE 43 CO 0.02 -0.99 0.13 0.08 -0.10 0.00 0.00 175.22 174.37 2kum s VAL 44 N 1.53 5.16 -0.34 -0.44 1.01 -0.93 -0.56 120.40 125.83 2kum s VAL 44 Ca 0.04 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 2kum s VAL 44 Cb -0.28 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2kum s VAL 44 CO 0.02 0.36 0.44 -0.76 0.00 0.00 0.00 175.10 175.17 2kum s LEU 45 N 0.99 4.38 -0.37 3.92 1.43 0.97 -2.66 118.68 127.35 2kum s LEU 45 Ca 0.07 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2kum s LEU 45 Cb -0.13 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2kum s LEU 45 CO 0.04 -0.41 0.24 -2.28 0.23 0.00 0.00 176.35 174.16 2kum s HIS 46 N 2.22 3.23 0.35 0.29 2.46 -0.90 -1.32 115.29 121.62 2kum s HIS 46 Ca 0.16 -0.61 0.07 0.00 0.47 0.00 0.00 55.06 55.15 2kum s HIS 46 Cb -0.16 -2.49 -0.01 0.00 -0.13 0.00 0.00 32.58 29.80 2kum s HIS 46 CO 0.12 -0.53 0.48 -0.51 -2.47 0.00 0.00 174.74 171.83 2kum s LEU 47 N 1.64 3.87 0.10 8.88 1.02 0.14 -1.17 118.68 133.16 2kum s LEU 47 Ca 0.04 -0.27 0.22 0.00 0.02 0.00 0.00 54.13 54.15 2kum s LEU 47 Cb -0.18 -2.68 0.90 0.00 0.02 0.00 0.00 46.19 44.24 2kum s LEU 47 CO 0.09 -0.50 1.70 0.00 0.02 0.00 0.00 176.35 177.65 2kum n ALA 48 N -1.67 1.95 -0.02 4.21 0.00 -1.26 -2.91 120.51 120.82 2kum n ALA 48 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.44 2kum n ALA 48 Cb 0.58 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.80 1.18 -3.82 0.00 3.00 -1.26 -5.10 117.38 109.59 2kum n GLN 49 Ca 0.04 -0.05 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 2kum n GLN 49 Cb 0.27 -1.20 -0.01 0.00 0.00 0.00 0.00 30.24 29.31 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 -2.43 1.57 -0.05 -1.09 1.70 -1.15 -5.08 118.95 112.43 2kum s ARG 50 Ca -0.03 -0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 54.32 2kum s ARG 50 Cb 0.04 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 2kum s ARG 50 CO 0.33 -0.72 0.09 -1.12 -1.08 0.00 0.00 175.30 172.80 2kum s SER 51 N -2.97 0.16 -0.15 -2.89 0.01 -1.26 0.24 113.70 106.84 2kum s SER 51 Ca 0.12 0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 2kum s SER 51 Cb -0.04 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 2kum s SER 51 CO 0.05 -0.16 0.01 -0.63 0.41 0.00 0.00 173.24 172.93 2kum s ILE 52 N 1.33 4.36 -0.26 1.44 1.09 -0.44 -4.96 121.20 123.76 2kum s ILE 52 Ca -0.07 -0.20 -0.10 0.00 -1.10 0.00 0.00 60.65 59.19 2kum s ILE 52 Cb -0.12 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 2kum s ILE 52 CO -0.04 0.50 0.15 0.00 -0.10 0.00 0.00 174.94 175.44 2kum s ILE 54 N 1.60 4.28 0.13 0.00 1.01 0.28 -0.16 121.20 128.34 2kum s ILE 54 Ca 0.07 -0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 2kum s ILE 54 Cb -0.15 -2.91 -0.08 0.00 0.01 0.00 0.00 42.46 39.32 2kum s ILE 54 CO 0.08 0.46 1.41 -2.28 0.00 0.00 0.00 174.94 174.61 2kum s HIS 55 N 0.50 3.22 0.53 3.97 5.65 -1.26 0.06 115.29 127.95 2kum s HIS 55 Ca -0.00 0.93 -0.19 0.00 0.25 0.00 0.00 55.06 56.05 2kum s HIS 55 Cb -0.14 -3.71 -0.09 0.00 -1.18 0.00 0.00 32.58 27.46 2kum s HIS 55 CO 0.02 -2.49 0.62 -2.30 -0.65 0.00 0.00 174.74 169.93 2kum n PRO 56 N 3.81 0.64 -1.08 2.88 -0.02 -1.26 -2.49 135.00 137.47 2kum n PRO 56 Ca 0.11 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 2kum n PRO 56 Cb 0.42 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.02 -0.11 -3.37 -0.52 6.02 -1.26 -5.03 117.38 113.09 2kum n GLN 57 Ca 0.12 0.54 -0.39 0.00 -0.01 0.00 0.00 57.00 57.26 2kum n GLN 57 Cb 0.45 -4.11 -0.08 0.00 1.02 0.00 0.00 30.24 27.52 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 -2.98 6.37 0.34 1.08 2.47 -1.04 -4.98 114.94 116.19 2kum s ASN 58 Ca 0.00 0.43 0.10 0.00 0.42 0.00 0.00 52.86 53.81 2kum s ASN 58 Cb 0.00 -2.23 0.87 0.00 -1.45 0.00 0.00 41.25 38.44 2kum s ASN 58 CO 0.00 -0.15 1.78 -0.65 -3.72 0.00 0.00 177.10 174.36 2kum h PRO 59 N 7.76 0.61 0.00 0.43 0.11 -1.91 -0.05 132.00 138.95 2kum h PRO 59 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2kum h PRO 59 Cb 1.16 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2kum h PRO 59 CO 0.69 0.40 -0.06 1.03 -0.21 0.00 0.00 178.00 179.85 2kum h SER 60 N 0.63 0.00 0.08 -2.05 0.87 -1.94 0.44 113.55 111.58 2kum h SER 60 Ca 0.58 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 61.03 2kum h SER 60 Cb 1.09 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2kum h SER 60 CO -0.36 0.06 -0.49 0.25 -0.53 0.00 0.00 176.83 175.76 2kum h LEU 61 N 0.00 0.28 -0.06 2.23 7.12 -1.38 -0.94 115.31 122.56 2kum h LEU 61 Ca -0.00 -0.97 0.01 0.00 0.13 0.00 0.00 57.88 57.04 2kum h LEU 61 Cb 0.19 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2kum h LEU 61 CO 0.01 1.24 0.01 -1.28 -0.13 0.00 0.00 178.44 178.28 2kum h SER 62 N -0.62 -0.01 -0.66 1.25 0.87 -1.42 -0.96 113.55 112.00 2kum h SER 62 Ca -0.09 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2kum h SER 62 Cb 1.39 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.33 2kum h SER 62 CO 0.09 0.01 0.43 1.56 -0.53 0.00 0.00 176.83 178.39 2kum h GLN 63 N 0.03 0.83 -0.56 2.24 4.20 -1.02 -2.50 115.11 118.33 2kum h GLN 63 Ca 0.03 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 2kum h GLN 63 Cb 0.03 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2kum h GLN 63 CO -0.04 0.55 -0.06 2.35 -0.67 0.00 0.00 178.83 180.96 2kum h TRP 64 N 0.86 1.14 -0.58 2.96 -0.00 -0.35 0.26 115.95 120.24 2kum h TRP 64 Ca 0.25 -0.22 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 2kum h TRP 64 Cb -0.05 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 28.79 2kum h TRP 64 CO -0.00 1.04 0.38 0.74 -0.00 0.00 0.00 178.44 180.60 2kum h PHE 65 N 0.91 0.65 0.19 2.65 -1.00 -0.75 0.68 116.94 120.28 2kum h PHE 65 Ca 0.15 0.02 -0.28 0.00 2.81 0.00 0.00 57.97 60.67 2kum h PHE 65 Cb 0.62 -0.22 0.03 0.00 3.61 0.00 0.00 35.95 40.00 2kum h PHE 65 CO 0.04 0.38 -1.21 0.93 -1.61 0.00 0.00 178.31 176.85 2kum h GLU 66 N 0.68 0.48 -0.28 1.51 5.08 -1.36 -3.03 114.58 117.67 2kum h GLU 66 Ca 0.23 -0.77 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2kum h GLU 66 Cb 0.08 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kum h GLU 66 CO -0.06 1.36 0.15 0.45 -1.00 0.00 0.00 179.01 179.91 2kum h HIS 67 N -0.01 0.38 0.00 4.33 3.86 0.36 -2.37 115.15 121.70 2kum h HIS 67 Ca -0.21 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 2kum h HIS 67 Cb 1.94 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 30.28 2kum h HIS 67 CO 0.15 0.31 -0.22 -0.56 0.86 0.00 0.00 177.93 178.48 2kum h GLN 68 N 0.33 0.00 -0.35 2.45 3.07 0.22 -1.20 115.11 119.63 2kum h GLN 68 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2kum h GLN 68 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.60 2kum h GLN 68 CO -0.02 0.22 0.23 1.49 0.09 0.00 0.00 178.83 180.84 2kum h GLU 69 N 0.00 0.46 -0.40 0.06 4.57 -1.29 -1.77 114.58 116.21 2kum h GLU 69 Ca -0.00 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.91 2kum h GLU 69 Cb 0.52 -0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 28.85 2kum h GLU 69 CO 0.03 0.31 -0.22 2.89 -1.18 0.00 0.00 179.01 180.84 2kum n ARG 70 N -4.48 2.13 -1.13 1.92 1.85 -0.55 -4.83 116.66 111.57 2kum n ARG 70 Ca 0.02 -3.39 0.00 0.00 -1.00 0.00 0.00 57.85 53.49 2kum n ARG 70 Cb 0.07 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 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 0.00 2.89 4.81 -0.61 -5.01 118.16 119.20 2kum n LYS 71 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2kum n LYS 71 Cb 0.94 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.99 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 0.00 3.14 4.32 -1.26 -3.38 117.00 119.82 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 0.00 -1.77 -0.00 -1.26 -4.99 115.22 107.20 2kum n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kum n HIS 73 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.16 0.93 3.58 1.57 0.00 -1.22 -5.06 105.19 104.83 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 -2.00 4.00 0.10 2.61 -4.23 -1.26 -4.99 115.64 109.88 2kum s THR 75 Ca 0.00 0.91 0.04 0.00 -1.18 0.00 0.00 61.69 61.46 2kum s THR 75 Cb 0.00 -4.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.13 2kum s THR 75 CO 0.00 -1.28 -0.10 -0.76 -0.54 0.00 0.00 174.62 171.94 2kum s LEU 76 N 5.05 2.42 0.00 4.79 1.43 -1.26 -4.99 118.68 126.12 2kum s LEU 76 Ca 0.45 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2kum s LEU 76 Cb -0.08 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.85 2kum s LEU 76 CO 0.26 -0.28 0.00 -0.81 0.23 0.00 0.00 176.35 175.75 2kum n PRO 77 N 0.46 1.66 -2.48 1.29 -0.04 -1.26 -4.92 135.00 129.71 2kum n PRO 77 Ca -0.15 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.91 2kum n PRO 77 Cb 0.58 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 2kum n PRO 77 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kum s LYS 78 N 0.93 3.63 -0.33 0.54 3.01 -1.26 -4.94 119.74 121.32 2kum s LYS 78 Ca 0.00 -1.63 -0.24 0.00 -1.01 0.00 0.00 55.97 53.09 2kum s LYS 78 Cb 0.00 -5.44 0.01 0.00 -1.01 0.00 0.00 37.83 31.39 2kum s LYS 78 CO 0.00 -2.55 0.83 -0.51 0.51 0.00 0.00 175.35 173.63 2kum s LEU 79 N 5.62 4.07 -0.91 3.17 1.43 -1.26 -4.94 118.68 125.86 2kum s LEU 79 Ca 0.55 0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2kum s LEU 79 Cb 0.02 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 2kum s LEU 79 CO 0.05 -0.71 3.04 -0.46 0.23 0.00 0.00 176.35 178.51 2kum n ASN 80 N 6.41 7.25 0.00 2.29 6.94 -1.26 -4.62 115.26 132.27 2kum n ASN 80 Ca 0.05 -2.73 0.08 0.00 -0.02 0.00 0.00 54.58 51.95 2kum n ASN 80 Cb 0.48 -1.44 0.45 0.00 -2.36 0.00 0.00 39.78 36.91 2kum n ASN 80 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2kum n PHE 81 N 2.55 0.00 0.54 -2.53 1.16 -1.26 -2.97 117.46 114.95 2kum n PHE 81 Ca 0.61 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 56.28 2kum n PHE 81 Cb 0.49 0.00 0.40 0.00 -1.61 0.00 0.00 39.48 38.76 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 0.48 -1.17 0.68 4.97 0.00 -1.26 -0.15 105.19 108.74 2kum n GLY 82 Ca 0.11 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.73 1.53 0.01 1.61 0.00 -1.16 -4.73 117.12 112.66 2kum n MET 83 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 57.70 56.12 2kum n MET 83 Cb 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.13 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 0.87 0.13 -4.66 3.17 7.94 -0.65 -4.79 117.00 119.02 2kum n LEU 84 Ca 0.11 0.03 -0.42 0.00 -1.11 0.00 0.00 56.01 54.62 2kum n LEU 84 Cb 0.41 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.31 2kum n LEU 84 CO 0.10 -0.21 1.35 -0.13 -1.11 0.00 0.00 177.39 177.39 2kum s ARG 85 N -2.00 4.12 -0.22 1.96 0.52 0.79 -0.98 118.95 123.14 2kum s ARG 85 Ca 0.00 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 2kum s ARG 85 Cb 0.00 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2kum s ARG 85 CO 0.00 -0.91 0.00 1.63 0.02 0.00 0.00 175.30 176.04 2kum n LYS 86 N 7.18 -1.09 -0.10 3.54 4.76 -1.26 -4.77 118.16 126.42 2kum n LYS 86 Ca 0.17 0.40 -0.10 0.00 -2.87 0.00 0.00 58.31 55.91 2kum n LYS 86 Cb 0.43 -4.28 -0.16 0.00 -1.84 0.00 0.00 35.03 29.18 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 -1.05 0.74 0.00 1.97 1.56 -0.15 -5.18 117.12 115.01 2kum n MET 87 Ca -0.02 -0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 2kum n MET 87 Cb 0.30 -1.51 0.00 0.00 2.15 0.00 0.00 33.22 34.16 2kum n MET 87 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65