#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 4.31 -0.33 -2.13 0.05 -1.26 -5.02 118.68 114.31 2kum s LEU 2 Ca 0.00 1.46 -0.29 0.00 0.05 0.00 0.00 54.13 55.35 2kum s LEU 2 Cb 0.00 -3.69 0.01 0.00 -2.05 0.00 0.00 46.19 40.46 2kum s LEU 2 CO 0.00 -0.00 1.27 -0.76 -0.55 0.00 0.00 176.35 176.30 2kum s LEU 3 N -2.08 3.84 0.25 1.48 2.01 -1.26 -4.99 118.68 117.92 2kum s LEU 3 Ca 0.45 1.08 -0.31 0.00 0.01 0.00 0.00 54.13 55.37 2kum s LEU 3 Cb -0.16 -3.54 -0.11 0.00 0.01 0.00 0.00 46.19 42.39 2kum s LEU 3 CO 0.21 -1.10 1.58 -2.84 1.01 0.00 0.00 176.35 175.20 2kum s PRO 4 N 4.20 4.17 0.26 1.29 0.02 -1.26 -4.93 135.00 138.75 2kum s PRO 4 Ca 0.54 2.48 -0.31 0.00 0.02 0.00 0.00 61.00 63.74 2kum s PRO 4 Cb -0.15 -3.08 -0.13 0.00 0.02 0.00 0.00 34.50 31.17 2kum s PRO 4 CO 0.24 -0.60 1.48 -0.35 -0.33 0.00 0.00 177.00 177.44 2kum n PRO 5 N 2.84 2.29 -0.88 5.54 -0.04 -1.26 -1.39 135.00 142.11 2kum n PRO 5 Ca 0.10 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 2kum n PRO 5 Cb 0.38 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2kum n PRO 5 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kum n SER 6 N 2.18 -1.18 -4.27 3.54 2.88 -1.26 -4.95 113.62 110.56 2kum n SER 6 Ca 0.10 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.21 2kum n SER 6 Cb 0.33 -1.06 -0.06 0.00 -0.75 0.00 0.00 64.21 62.68 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kum s THR 7 N -2.58 4.89 -1.08 2.46 2.01 -0.48 -5.00 115.64 115.86 2kum s THR 7 Ca 0.00 -1.97 -0.20 0.00 0.31 0.00 0.00 61.69 59.82 2kum s THR 7 Cb 0.00 -4.13 0.08 0.00 0.01 0.00 0.00 72.50 68.46 2kum s THR 7 CO 0.00 -0.89 1.45 0.00 -0.69 0.00 0.00 174.62 174.49 2kum s ALA 8 N 1.00 3.08 -0.41 7.40 0.00 -1.26 -4.65 121.76 126.91 2kum s ALA 8 Ca 0.09 -2.59 0.05 0.00 0.00 0.00 0.00 51.96 49.51 2kum s ALA 8 Cb -0.23 -4.43 0.17 0.00 0.00 0.00 0.00 23.12 18.64 2kum s ALA 8 CO -0.02 -3.36 0.51 0.00 0.00 0.00 0.00 175.76 172.89 2kum n THR 11 N 5.37 0.27 -3.89 0.00 -2.24 -1.26 -4.92 114.28 107.61 2kum n THR 11 Ca 0.04 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 2kum n THR 11 Cb 0.48 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.73 1.28 0.07 -0.78 1.03 -1.26 -5.18 119.66 113.09 2kum s GLN 12 Ca 0.33 -1.09 0.06 0.00 0.04 0.00 0.00 55.36 54.70 2kum s GLN 12 Cb 0.18 0.43 -0.03 0.00 0.03 0.00 0.00 33.01 33.63 2kum s GLN 12 CO 0.27 -0.50 -0.16 -0.51 -2.54 0.00 0.00 175.29 171.84 2kum s LEU 13 N -2.94 2.26 0.00 2.60 1.43 -1.26 -4.77 118.68 116.00 2kum s LEU 13 Ca 0.15 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2kum s LEU 13 Cb 0.01 -0.63 -0.33 0.00 0.03 0.00 0.00 46.19 45.27 2kum s LEU 13 CO 0.00 -0.02 0.88 0.22 0.23 0.00 0.00 176.35 177.66 2kum h TYR 14 N 4.34 0.85 0.00 0.29 3.20 -0.93 -3.48 116.97 121.25 2kum h TYR 14 Ca -0.42 -0.62 0.00 0.00 3.14 0.00 0.00 58.73 60.83 2kum h TYR 14 Cb 1.19 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2kum h TYR 14 CO 0.61 1.59 0.00 0.54 -1.64 0.00 0.00 178.16 179.26 2kum n ARG 15 N -3.65 0.00 -2.37 1.82 1.74 -1.26 -4.92 116.66 108.02 2kum n ARG 15 Ca -0.19 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.55 2kum n ARG 15 Cb 1.09 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 32.45 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 3.61 0.05 5.56 1.02 -1.26 -4.99 119.74 123.73 2kum s LYS 16 Ca 0.00 1.34 -0.31 0.00 0.02 0.00 0.00 55.97 57.03 2kum s LYS 16 Cb 0.00 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.19 2kum s LYS 16 CO 0.00 -0.59 1.25 -2.14 -0.92 0.00 0.00 175.35 172.95 2kum s PRO 17 N -3.49 4.39 0.70 -1.68 0.02 -1.26 -5.01 135.00 128.66 2kum s PRO 17 Ca 0.67 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 2kum s PRO 17 Cb -0.17 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 30.97 2kum s PRO 17 CO 0.26 -0.35 1.06 -0.51 -0.33 0.00 0.00 177.00 177.13 2kum s LEU 18 N 1.39 3.13 0.16 -5.54 1.43 -1.26 -5.03 118.68 112.96 2kum s LEU 18 Ca 0.60 1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 55.13 2kum s LEU 18 Cb -0.30 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.34 2kum s LEU 18 CO 0.28 -1.51 0.71 -0.44 0.23 0.00 0.00 176.35 175.62 2kum s SER 19 N -3.71 7.19 0.53 2.29 0.01 -1.26 -4.96 113.70 113.78 2kum s SER 19 Ca 0.59 1.47 0.20 0.00 1.31 0.00 0.00 55.95 59.51 2kum s SER 19 Cb -0.14 -2.43 1.37 0.00 0.21 0.00 0.00 66.02 65.02 2kum s SER 19 CO 0.55 0.16 2.15 -0.78 0.41 0.00 0.00 173.24 175.73 2kum h ASP 20 N 4.04 0.00 -0.68 2.44 3.58 -1.99 -1.50 116.42 122.32 2kum h ASP 20 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kum h ASP 20 Cb 1.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2kum h ASP 20 CO 0.65 0.03 0.41 0.11 -2.88 0.00 0.00 179.24 177.57 2kum h LYS 21 N 0.00 0.92 0.00 0.28 1.79 -2.00 -1.67 116.57 115.89 2kum h LYS 21 Ca -0.00 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 2kum h LYS 21 Cb 0.06 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2kum h LYS 21 CO 0.00 0.65 -0.46 1.37 -1.08 0.00 0.00 179.45 179.94 2kum h LEU 22 N 0.93 0.00 -0.72 2.94 8.10 -1.70 -3.27 115.31 121.59 2kum h LEU 22 Ca 0.24 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.25 2kum h LEU 22 Cb -0.03 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.15 2kum h LEU 22 CO -0.05 0.46 0.47 -0.07 -4.11 0.00 0.00 178.44 175.14 2kum h LEU 23 N 0.00 0.80 0.00 0.17 4.07 -0.64 0.19 115.31 119.90 2kum h LEU 23 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2kum h LEU 23 Cb 1.15 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.70 2kum h LEU 23 CO 0.06 0.57 0.00 -2.11 -1.08 0.00 0.00 178.44 175.88 2kum n ARG 24 N -4.60 0.40 -0.02 1.13 1.85 -0.91 -1.56 116.66 112.95 2kum n ARG 24 Ca 0.07 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.97 2kum n ARG 24 Cb 0.03 -1.30 -0.11 0.00 -1.05 0.00 0.00 32.46 30.03 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 -0.80 0.67 -1.84 2.89 5.02 0.03 -4.72 118.16 119.40 2kum n LYS 25 Ca 0.06 -0.11 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 2kum n LYS 25 Cb 0.03 -1.34 0.03 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 -2.88 2.18 -0.10 -0.18 1.01 -0.60 -4.22 120.40 115.60 2kum s VAL 26 Ca -0.05 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2kum s VAL 26 Cb 0.08 -3.07 -0.14 0.00 0.00 0.00 0.00 36.38 33.25 2kum s VAL 26 CO 0.59 0.00 0.05 2.30 0.00 0.00 0.00 175.10 178.04 2kum n ILE 27 N -0.77 0.70 -3.79 2.22 -5.35 0.82 -4.76 119.36 108.43 2kum n ILE 27 Ca 0.09 -0.45 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 2kum n ILE 27 Cb 0.45 -0.66 -0.09 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.29 0.66 -0.19 6.28 -1.52 -1.02 -5.03 119.66 116.55 2kum s GLN 28 Ca -0.05 -0.31 -0.03 0.00 -1.95 0.00 0.00 55.36 53.02 2kum s GLN 28 Cb 0.03 0.29 -0.01 0.00 -0.22 0.00 0.00 33.01 33.10 2kum s GLN 28 CO 0.44 -0.18 -0.05 0.54 -0.25 0.00 0.00 175.29 175.79 2kum s VAL 29 N -1.61 3.47 0.11 1.09 0.11 -1.26 -1.54 120.40 120.78 2kum s VAL 29 Ca -0.12 -0.48 0.10 0.00 -2.93 0.00 0.00 61.98 58.54 2kum s VAL 29 Cb -0.05 -2.54 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 2kum s VAL 29 CO 0.02 0.46 -0.24 -1.61 -3.33 0.00 0.00 175.10 170.40 2kum s GLU 30 N 1.01 1.26 -0.22 1.54 2.02 -0.44 -4.89 118.70 118.97 2kum s GLU 30 Ca 0.00 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 53.76 2kum s GLU 30 Cb -0.15 -1.63 0.04 0.00 0.10 0.00 0.00 34.13 32.49 2kum s GLU 30 CO 0.00 0.38 -0.14 -1.17 0.02 0.00 0.00 175.26 174.36 2kum s LEU 31 N -1.97 2.75 -0.49 1.80 2.96 -1.26 -0.70 118.68 121.76 2kum s LEU 31 Ca 0.10 -1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 52.76 2kum s LEU 31 Cb -0.10 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.16 2kum s LEU 31 CO 0.05 -0.11 0.78 -1.58 -1.32 0.00 0.00 176.35 174.17 2kum s GLN 32 N 1.23 3.32 0.49 1.98 0.74 0.18 -4.97 119.66 122.62 2kum s GLN 32 Ca -0.02 -0.33 -0.20 0.00 0.05 0.00 0.00 55.36 54.86 2kum s GLN 32 Cb -0.17 -4.00 -0.08 0.00 1.10 0.00 0.00 33.01 29.86 2kum s GLN 32 CO -0.08 -1.23 1.04 -1.21 -0.55 0.00 0.00 175.29 173.25 2kum s GLU 33 N 3.31 3.79 0.00 1.67 2.02 -1.26 -0.74 118.70 127.48 2kum s GLU 33 Ca 0.26 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.61 2kum s GLU 33 Cb -0.14 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2kum s GLU 33 CO 0.19 -0.44 0.54 0.00 0.02 0.00 0.00 175.26 175.57 2kum n ALA 34 N -1.00 2.22 0.00 5.21 0.00 -1.25 -3.01 120.51 122.67 2kum n ALA 34 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kum n ALA 34 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2kum n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kum n ASP 35 N 0.30 0.00 -0.04 0.00 5.75 -0.79 -3.41 116.55 118.36 2kum n ASP 35 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 2kum n ASP 35 Cb 0.27 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 2kum n ASP 35 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2kum h GLY 36 N 0.00 0.23 0.00 6.12 0.00 -1.93 -3.39 103.07 104.10 2kum h GLY 36 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2kum h GLY 36 CO 0.00 0.03 -0.74 1.22 0.00 0.00 0.00 176.54 177.05 2kum n ASP 37 N -5.04 1.57 -4.11 0.19 9.92 -1.25 -5.03 116.55 112.80 2kum n ASP 37 Ca -0.03 0.25 -0.10 0.00 -0.53 0.00 0.00 54.79 54.38 2kum n ASP 37 Cb 0.07 -0.57 -0.10 0.00 -0.64 0.00 0.00 41.12 39.87 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kum n HIS 39 N 0.54 2.32 -3.47 0.00 1.44 -1.26 -1.88 115.22 112.92 2kum n HIS 39 Ca -0.16 -2.09 0.01 0.00 -2.01 0.00 0.00 57.72 53.46 2kum n HIS 39 Cb 0.59 -1.94 -0.05 0.00 0.12 0.00 0.00 29.99 28.70 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 1.69 -0.34 -0.32 2.39 0.20 -1.22 -4.91 118.68 116.17 2kum s LEU 40 Ca 0.55 0.50 -0.20 0.00 0.69 0.00 0.00 54.13 55.67 2kum s LEU 40 Cb 0.14 1.43 -0.01 0.00 -0.43 0.00 0.00 46.19 47.32 2kum s LEU 40 CO 0.07 -0.07 0.63 -1.58 -0.29 0.00 0.00 176.35 175.10 2kum s GLN 41 N 1.78 3.84 0.12 1.98 0.74 -1.26 -3.88 119.66 122.98 2kum s GLN 41 Ca -0.05 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.60 2kum s GLN 41 Cb -0.03 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 2kum s GLN 41 CO -0.15 -0.61 -0.03 0.00 -0.55 0.00 0.00 175.29 173.95 2kum s ALA 42 N 2.63 1.03 -0.15 1.58 0.00 0.08 -4.52 121.76 122.41 2kum s ALA 42 Ca 0.25 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2kum s ALA 42 Cb -0.15 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2kum s ALA 42 CO 0.13 -0.30 -0.22 -0.06 0.00 0.00 0.00 175.76 175.31 2kum s PHE 43 N -3.70 2.69 -0.26 0.00 0.40 0.30 0.47 117.98 117.87 2kum s PHE 43 Ca 0.16 -1.40 -0.10 0.00 -0.60 0.00 0.00 56.93 54.99 2kum s PHE 43 Cb 0.06 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 2kum s PHE 43 CO -0.02 -0.64 0.16 0.08 0.70 0.00 0.00 175.22 175.50 2kum s VAL 44 N 0.89 5.18 -0.56 -0.44 1.01 0.13 -0.30 120.40 126.30 2kum s VAL 44 Ca -0.05 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 2kum s VAL 44 Cb -0.15 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.85 2kum s VAL 44 CO -0.04 0.30 0.76 -0.76 0.00 0.00 0.00 175.10 175.36 2kum s LEU 45 N 1.49 4.81 -0.48 3.92 1.43 0.12 -1.33 118.68 128.64 2kum s LEU 45 Ca 0.07 -0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 52.04 2kum s LEU 45 Cb -0.15 -2.47 0.06 0.00 0.03 0.00 0.00 46.19 43.65 2kum s LEU 45 CO 0.08 -1.10 0.53 -2.28 0.23 0.00 0.00 176.35 173.81 2kum s HIS 46 N 3.13 3.12 0.36 0.29 2.46 -0.59 -1.37 115.29 122.70 2kum s HIS 46 Ca 0.18 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 55.11 2kum s HIS 46 Cb -0.19 -3.32 -0.03 0.00 -0.13 0.00 0.00 32.58 28.91 2kum s HIS 46 CO 0.11 -0.91 0.57 -0.51 -2.47 0.00 0.00 174.74 171.54 2kum s LEU 47 N 2.28 3.96 0.08 8.88 1.02 0.24 -0.13 118.68 135.02 2kum s LEU 47 Ca 0.12 0.45 0.22 0.00 0.02 0.00 0.00 54.13 54.94 2kum s LEU 47 Cb -0.20 -3.32 0.90 0.00 0.02 0.00 0.00 46.19 43.59 2kum s LEU 47 CO 0.11 -0.35 1.70 0.00 0.02 0.00 0.00 176.35 177.83 2kum n ALA 48 N -1.84 1.96 -0.22 4.21 0.00 -1.26 -2.70 120.51 120.66 2kum n ALA 48 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kum n ALA 48 Cb 0.56 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.77 0.39 -3.63 0.00 -0.00 -1.26 -5.06 117.38 106.06 2kum n GLN 49 Ca 0.05 -0.72 -0.05 0.00 -0.00 0.00 0.00 57.00 56.28 2kum n GLN 49 Cb 0.27 -0.89 -0.05 0.00 -0.00 0.00 0.00 30.24 29.57 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 -0.29 0.24 -0.11 2.61 1.70 -1.10 -5.16 118.95 116.84 2kum s ARG 50 Ca 0.00 0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.40 2kum s ARG 50 Cb 0.00 0.11 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2kum s ARG 50 CO 0.00 -0.06 -0.21 -1.12 -1.08 0.00 0.00 175.30 172.83 2kum s SER 51 N -0.73 3.35 -0.08 -2.89 0.01 -1.26 -0.59 113.70 111.50 2kum s SER 51 Ca 0.05 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.82 2kum s SER 51 Cb -0.02 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 2kum s SER 51 CO -0.07 0.15 -0.09 -0.63 0.41 0.00 0.00 173.24 173.01 2kum s ILE 52 N 0.41 3.46 -0.25 1.44 1.01 -0.47 -4.97 121.20 121.83 2kum s ILE 52 Ca -0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 2kum s ILE 52 Cb -0.17 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2kum s ILE 52 CO 0.07 0.58 0.13 0.00 0.00 0.00 0.00 174.94 175.72 2kum s ILE 54 N 1.47 1.87 -0.05 0.00 2.07 0.59 -0.15 121.20 127.00 2kum s ILE 54 Ca 0.06 -1.51 -0.16 0.00 -1.41 0.00 0.00 60.65 57.64 2kum s ILE 54 Cb -0.15 -1.66 -0.05 0.00 0.13 0.00 0.00 42.46 40.72 2kum s ILE 54 CO 0.07 0.07 0.43 -2.28 -1.91 0.00 0.00 174.94 171.32 2kum s HIS 55 N -1.03 3.64 0.40 3.50 5.65 -1.26 -0.54 115.29 125.66 2kum s HIS 55 Ca 0.09 0.95 0.26 0.00 0.25 0.00 0.00 55.06 56.61 2kum s HIS 55 Cb -0.10 -2.39 1.41 0.00 -1.18 0.00 0.00 32.58 30.32 2kum s HIS 55 CO 0.04 0.45 1.59 -1.35 -0.65 0.00 0.00 174.74 174.82 2kum h PRO 56 N 5.51 0.02 0.00 2.88 0.11 -1.91 0.31 132.00 138.92 2kum h PRO 56 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kum h PRO 56 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kum h PRO 56 CO 0.67 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 2kum n GLN 57 N -5.00 0.22 -1.97 1.05 0.00 -1.26 -4.77 117.38 105.65 2kum n GLN 57 Ca 0.39 0.13 -0.42 0.00 0.00 0.00 0.00 57.00 57.10 2kum n GLN 57 Cb 1.41 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 30.12 2kum n GLN 57 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2kum s ASN 58 N -2.62 6.49 0.61 2.61 -0.87 0.11 -4.85 114.94 116.41 2kum s ASN 58 Ca 0.15 2.11 0.36 0.00 -1.57 0.00 0.00 52.86 53.91 2kum s ASN 58 Cb 0.12 -2.53 2.01 0.00 -0.02 0.00 0.00 41.25 40.82 2kum s ASN 58 CO 0.27 -1.10 2.27 1.55 -2.57 0.00 0.00 177.10 177.52 2kum h PRO 59 N 10.34 0.00 -0.88 -0.60 0.13 -1.86 -1.06 132.00 138.08 2kum h PRO 59 Ca -0.39 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2kum h PRO 59 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2kum h PRO 59 CO 0.96 0.02 0.58 0.77 -0.23 0.00 0.00 178.00 180.10 2kum h SER 60 N 0.00 0.92 0.50 1.44 0.02 -1.95 0.14 113.55 114.63 2kum h SER 60 Ca -0.00 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 2kum h SER 60 Cb 0.07 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.41 2kum h SER 60 CO 0.00 0.62 -1.15 0.25 -1.14 0.00 0.00 176.83 175.41 2kum h LEU 61 N 1.07 0.49 -0.43 5.07 5.85 -1.55 0.26 115.31 126.06 2kum h LEU 61 Ca 0.36 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2kum h LEU 61 Cb 0.07 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2kum h LEU 61 CO -0.11 1.33 0.22 0.28 -0.34 0.00 0.00 178.44 179.82 2kum h SER 62 N 0.13 0.31 -0.55 1.25 0.02 -1.24 0.28 113.55 113.76 2kum h SER 62 Ca -0.12 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2kum h SER 62 Cb 1.85 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 64.33 2kum h SER 62 CO 0.20 0.22 0.34 1.56 -1.14 0.00 0.00 176.83 178.01 2kum h GLN 63 N 0.43 0.74 -0.22 3.45 4.20 -0.61 -3.03 115.11 120.08 2kum h GLN 63 Ca 0.19 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.85 2kum h GLN 63 Cb 0.09 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2kum h GLN 63 CO -0.13 0.52 0.09 2.35 -0.67 0.00 0.00 178.83 180.99 2kum h TRP 64 N 0.74 0.16 -0.99 2.96 -0.00 0.50 0.40 115.95 119.72 2kum h TRP 64 Ca 0.20 0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.24 2kum h TRP 64 Cb -0.03 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.16 29.00 2kum h TRP 64 CO -0.03 0.08 0.62 0.74 -0.00 0.00 0.00 178.44 179.85 2kum h PHE 65 N 0.20 1.07 0.02 2.65 -1.00 -0.38 1.09 116.94 120.58 2kum h PHE 65 Ca 0.09 0.03 -0.21 0.00 2.81 0.00 0.00 57.97 60.69 2kum h PHE 65 Cb 0.05 -0.33 0.02 0.00 3.61 0.00 0.00 35.95 39.29 2kum h PHE 65 CO -0.11 0.37 -0.85 0.93 -1.61 0.00 0.00 178.31 177.04 2kum h GLU 66 N 0.88 0.54 -0.39 1.51 5.08 -1.27 -3.00 114.58 117.92 2kum h GLU 66 Ca 0.51 -0.61 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2kum h GLU 66 Cb 0.65 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2kum h GLU 66 CO -0.29 1.23 -0.05 0.45 -1.00 0.00 0.00 179.01 179.35 2kum h HIS 67 N 0.10 0.81 0.00 4.33 3.86 0.99 -2.68 115.15 122.57 2kum h HIS 67 Ca -0.11 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 58.89 2kum h HIS 67 Cb 1.54 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 2kum h HIS 67 CO 0.13 0.84 -0.22 -0.56 0.86 0.00 0.00 177.93 178.99 2kum h GLN 68 N 0.55 0.00 0.00 2.45 3.07 0.11 -0.20 115.11 121.08 2kum h GLN 68 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.81 2kum h GLN 68 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 2kum h GLN 68 CO 0.03 0.22 -0.18 1.49 0.09 0.00 0.00 178.83 180.48 2kum h GLU 69 N 0.00 0.00 -0.45 0.06 4.81 -1.32 -2.07 114.58 115.60 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 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2kum h GLU 69 CO 0.03 0.18 0.00 2.89 -0.73 0.00 0.00 179.01 181.38 2kum n ARG 70 N -4.19 2.85 -0.83 1.92 1.85 -0.45 -4.48 116.66 113.33 2kum n ARG 70 Ca -0.02 -2.23 0.00 0.00 -1.00 0.00 0.00 57.85 54.59 2kum n ARG 70 Cb 0.25 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 0.79 2.27 0.00 2.89 5.02 -0.22 -4.99 118.16 123.93 2kum n LYS 71 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2kum n LYS 71 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 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 -2.35 117.00 117.36 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 0.46 0.00 0.00 57.72 58.18 2kum n HIS 73 Cb 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 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 2.80 3.53 1.57 0.00 -0.99 -4.99 105.19 107.11 2kum n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.01 4.62 0.09 2.61 -4.23 -1.26 -4.98 115.64 110.48 2kum s THR 75 Ca 0.00 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 2kum s THR 75 Cb 0.00 -4.36 0.01 0.00 1.34 0.00 0.00 72.50 69.49 2kum s THR 75 CO 0.00 -0.80 0.25 -0.76 -0.54 0.00 0.00 174.62 172.77 2kum s LEU 76 N 3.36 1.13 -0.49 4.79 1.43 -1.26 -5.05 118.68 122.60 2kum s LEU 76 Ca 0.29 -0.52 -0.44 0.00 -1.03 0.00 0.00 54.13 52.42 2kum s LEU 76 Cb -0.13 1.25 -0.19 0.00 0.03 0.00 0.00 46.19 47.16 2kum s LEU 76 CO 0.21 -0.74 1.97 -2.65 0.23 0.00 0.00 176.35 175.37 2kum n PRO 77 N -0.01 0.08 -2.60 1.29 -0.02 -1.26 -4.83 135.00 127.65 2kum n PRO 77 Ca -0.16 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 2kum n PRO 77 Cb 0.62 -1.56 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 2kum n PRO 77 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kum s LYS 78 N 5.07 3.83 -0.13 -0.52 1.02 -1.26 -4.62 119.74 123.14 2kum s LYS 78 Ca 1.15 -1.69 0.15 0.00 0.02 0.00 0.00 55.97 55.59 2kum s LYS 78 Cb -1.46 -5.43 0.53 0.00 -0.52 0.00 0.00 37.83 30.95 2kum s LYS 78 CO 0.70 -2.20 1.44 1.47 -0.92 0.00 0.00 175.35 175.84 2kum n LEU 79 N 8.40 3.95 -2.20 3.17 -0.00 -1.26 -5.00 117.00 124.05 2kum n LEU 79 Ca 0.42 -2.64 -0.00 0.00 -0.00 0.00 0.00 56.01 53.78 2kum n LEU 79 Cb 0.48 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kum n LEU 79 CO 0.71 0.71 -0.28 0.59 -0.00 0.00 0.00 177.39 179.12 2kum n ASN 80 N 0.15 -5.49 0.28 1.45 3.02 -1.26 -4.82 115.26 108.59 2kum n ASN 80 Ca 0.20 0.83 0.19 0.00 -0.03 0.00 0.00 54.58 55.76 2kum n ASN 80 Cb 0.80 -3.51 0.87 0.00 -0.61 0.00 0.00 39.78 37.32 2kum n ASN 80 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2kum h PHE 81 N 1.76 0.00 0.00 3.10 0.04 -1.94 -1.91 116.94 117.98 2kum h PHE 81 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kum h PHE 81 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2kum h PHE 81 CO 0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.13 2kum n GLY 82 N -0.46 -0.59 0.05 -1.45 0.00 -1.26 -2.09 105.19 99.39 2kum n GLY 82 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.61 0.09 0.00 1.61 0.00 -0.72 -4.31 117.12 113.18 2kum n MET 83 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.94 2kum n MET 83 Cb 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 31.60 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 -1.80 0.00 -4.72 3.17 -0.00 -1.10 -4.92 117.00 107.63 2kum n LEU 84 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.64 2kum n LEU 84 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 2kum n LEU 84 CO 0.22 0.00 0.78 0.00 -0.00 0.00 0.00 177.39 178.39 2kum s ARG 85 N 0.00 4.55 0.00 1.47 1.70 -0.89 -0.14 118.95 125.65 2kum s ARG 85 Ca 0.00 1.64 0.00 0.00 -0.47 0.00 0.00 55.73 56.90 2kum s ARG 85 Cb 0.00 -3.34 0.00 0.00 -0.57 0.00 0.00 34.95 31.04 2kum s ARG 85 CO 0.00 -0.03 0.00 1.63 -1.08 0.00 0.00 175.30 175.82 2kum n LYS 86 N 3.16 0.00 -0.04 3.89 5.02 -1.26 -4.55 118.16 124.38 2kum n LYS 86 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 2kum n LYS 86 Cb 0.47 -0.74 -0.08 0.00 -0.02 0.00 0.00 35.03 34.66 2kum n LYS 86 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2kum h MET 87 N 0.03 0.40 0.00 1.97 4.05 -1.84 -3.54 114.93 115.99 2kum h MET 87 Ca 0.00 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2kum h MET 87 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2kum h MET 87 CO 0.00 0.91 0.00 0.41 0.23 0.00 0.00 176.91 178.46