#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 4.21 -0.20 -2.13 2.96 -1.26 -4.91 118.68 117.36 2kum s LEU 2 Ca 0.00 3.02 -0.29 0.00 -0.22 0.00 0.00 54.13 56.64 2kum s LEU 2 Cb 0.00 -3.80 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2kum s LEU 2 CO 0.00 -1.05 1.75 -0.76 -1.32 0.00 0.00 176.35 174.97 2kum s LEU 3 N -2.42 3.87 0.12 -0.68 2.01 -1.26 -4.96 118.68 115.36 2kum s LEU 3 Ca 0.57 1.76 -0.31 0.00 0.01 0.00 0.00 54.13 56.15 2kum s LEU 3 Cb -0.46 -3.53 -0.08 0.00 0.01 0.00 0.00 46.19 42.13 2kum s LEU 3 CO 0.61 -1.36 1.45 -2.84 1.01 0.00 0.00 176.35 175.21 2kum s PRO 4 N 4.95 4.28 0.06 1.29 0.02 -1.26 -3.41 135.00 140.94 2kum s PRO 4 Ca 0.78 2.15 -0.34 0.00 0.02 0.00 0.00 61.00 63.61 2kum s PRO 4 Cb -0.28 -3.26 -0.13 0.00 0.02 0.00 0.00 34.50 30.85 2kum s PRO 4 CO 0.32 -0.50 1.67 -2.30 -0.33 0.00 0.00 177.00 175.85 2kum n PRO 5 N 4.12 2.07 -1.82 5.54 -0.02 -1.26 -1.50 135.00 142.13 2kum n PRO 5 Ca 0.12 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 2kum n PRO 5 Cb 0.41 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 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 4.48 -3.78 -4.10 2.55 7.64 -1.26 -5.00 113.62 114.15 2kum n SER 6 Ca 0.19 0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.84 2kum n SER 6 Cb 0.28 -2.68 -0.14 0.00 -1.01 0.00 0.00 64.21 60.66 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 -2.46 2.66 -0.97 0.44 2.01 -0.56 -5.06 115.64 111.70 2kum s THR 7 Ca 0.00 -1.80 -0.14 0.00 0.31 0.00 0.00 61.69 60.06 2kum s THR 7 Cb 0.00 -2.69 0.20 0.00 0.01 0.00 0.00 72.50 70.02 2kum s THR 7 CO 0.00 -0.31 1.03 0.00 -0.69 0.00 0.00 174.62 174.65 2kum s ALA 8 N 1.11 4.03 -0.44 7.40 0.00 -1.26 -4.65 121.76 127.95 2kum s ALA 8 Ca 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 51.96 48.70 2kum s ALA 8 Cb -0.20 -3.75 0.28 0.00 0.00 0.00 0.00 23.12 19.45 2kum s ALA 8 CO -0.04 -2.51 1.08 0.00 0.00 0.00 0.00 175.76 174.29 2kum n THR 11 N 4.82 0.54 -3.62 0.00 5.66 -1.26 -4.82 114.28 115.61 2kum n THR 11 Ca 0.02 -0.77 -0.29 0.00 -3.05 0.00 0.00 64.05 59.95 2kum n THR 11 Cb 0.49 0.81 -0.14 0.00 -1.55 0.00 0.00 70.33 69.94 2kum n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kum s GLN 12 N -0.87 0.68 0.33 1.09 1.03 -1.26 -5.13 119.66 115.54 2kum s GLN 12 Ca 0.14 -1.23 -0.27 0.00 0.04 0.00 0.00 55.36 54.05 2kum s GLN 12 Cb 0.08 -1.71 -0.09 0.00 0.03 0.00 0.00 33.01 31.32 2kum s GLN 12 CO 0.11 -1.09 1.07 -0.51 -2.54 0.00 0.00 175.29 172.33 2kum s LEU 13 N 1.30 4.36 0.12 2.60 1.43 -1.26 -4.84 118.68 122.39 2kum s LEU 13 Ca 0.13 2.14 -0.07 0.00 -1.03 0.00 0.00 54.13 55.31 2kum s LEU 13 Cb -0.20 -3.89 -0.11 0.00 0.03 0.00 0.00 46.19 42.02 2kum s LEU 13 CO -0.15 -0.30 1.30 0.22 0.23 0.00 0.00 176.35 177.65 2kum h TYR 14 N 3.20 0.75 0.00 0.29 3.20 -1.34 -3.47 116.97 119.60 2kum h TYR 14 Ca -0.47 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.01 2kum h TYR 14 Cb 1.21 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2kum h TYR 14 CO 0.58 1.20 0.00 0.54 -1.64 0.00 0.00 178.16 178.85 2kum n ARG 15 N -3.80 0.00 -3.18 1.82 1.74 -1.26 -4.95 116.66 107.03 2kum n ARG 15 Ca -0.07 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 2kum n ARG 15 Cb 0.82 -2.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 3.65 0.32 5.56 1.02 -1.26 -4.88 119.74 124.14 2kum s LYS 16 Ca 0.00 0.11 -0.27 0.00 0.02 0.00 0.00 55.97 55.82 2kum s LYS 16 Cb 0.00 -2.57 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 2kum s LYS 16 CO 0.00 0.12 1.04 -1.25 -0.92 0.00 0.00 175.35 174.34 2kum s PRO 17 N -3.74 4.52 0.02 -1.68 0.04 -1.26 -4.95 135.00 127.95 2kum s PRO 17 Ca 0.46 1.60 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 2kum s PRO 17 Cb -0.10 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 2kum s PRO 17 CO 0.32 0.16 0.32 -0.51 0.04 0.00 0.00 177.00 177.32 2kum s LEU 18 N -1.85 4.37 0.39 -3.56 1.43 -1.26 -5.07 118.68 113.14 2kum s LEU 18 Ca 0.49 0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 54.00 2kum s LEU 18 Cb -0.26 -2.74 -0.09 0.00 0.03 0.00 0.00 46.19 43.13 2kum s LEU 18 CO 0.33 0.24 1.16 -0.44 0.23 0.00 0.00 176.35 177.87 2kum s SER 19 N -1.64 6.60 0.47 2.29 0.01 -1.26 -4.88 113.70 115.28 2kum s SER 19 Ca 0.28 2.33 0.14 0.00 1.31 0.00 0.00 55.95 60.01 2kum s SER 19 Cb -0.14 -2.61 1.08 0.00 0.21 0.00 0.00 66.02 64.56 2kum s SER 19 CO 0.16 -0.62 2.06 -0.78 0.41 0.00 0.00 173.24 174.47 2kum h ASP 20 N 2.73 0.07 -0.26 2.44 3.58 -1.97 0.14 116.42 123.15 2kum h ASP 20 Ca -0.49 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 2kum h ASP 20 Cb 1.23 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2kum h ASP 20 CO 0.63 0.14 0.10 0.11 -2.88 0.00 0.00 179.24 177.34 2kum h LYS 21 N 0.08 0.39 0.00 0.28 1.57 -2.00 -0.49 116.57 116.40 2kum h LYS 21 Ca 0.02 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2kum h LYS 21 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2kum h LYS 21 CO 0.01 0.42 -0.47 1.37 -0.57 0.00 0.00 179.45 180.21 2kum h LEU 22 N 0.27 0.00 -0.67 2.94 8.10 -1.80 -3.16 115.31 120.98 2kum h LEU 22 Ca 0.09 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.04 2kum h LEU 22 Cb 0.18 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.37 2kum h LEU 22 CO -0.01 0.47 0.26 -0.07 -4.11 0.00 0.00 178.44 174.98 2kum h LEU 23 N 0.00 0.93 0.00 0.17 3.38 -0.46 -2.09 115.31 117.24 2kum h LEU 23 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kum h LEU 23 Cb 1.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2kum h LEU 23 CO 0.06 0.85 0.00 -2.11 0.09 0.00 0.00 178.44 177.33 2kum n ARG 24 N -4.39 0.12 -0.00 1.13 1.85 -0.24 0.38 116.66 115.51 2kum n ARG 24 Ca 0.05 0.17 0.10 0.00 -1.00 0.00 0.00 57.85 57.17 2kum n ARG 24 Cb 0.18 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.22 1.83 -3.12 2.89 5.02 -0.79 -4.29 118.16 118.49 2kum n LYS 25 Ca 0.04 -1.72 -0.39 0.00 -2.02 0.00 0.00 58.31 54.21 2kum n LYS 25 Cb 0.05 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.68 4.66 -0.02 -0.18 1.01 0.16 -0.40 120.40 123.95 2kum s VAL 26 Ca 0.24 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2kum s VAL 26 Cb 0.17 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2kum s VAL 26 CO 0.25 0.48 0.08 2.30 0.00 0.00 0.00 175.10 178.22 2kum n ILE 27 N 2.10 0.13 -3.95 2.22 -5.35 0.11 -4.85 119.36 109.77 2kum n ILE 27 Ca -0.07 -0.16 -0.09 0.00 -0.27 0.00 0.00 62.75 62.16 2kum n ILE 27 Cb 0.50 -0.08 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.18 6.28 -1.52 -0.74 -5.01 119.66 116.86 2kum s GLN 28 Ca -0.02 -0.93 -0.00 0.00 -1.95 0.00 0.00 55.36 52.45 2kum s GLN 28 Cb 0.03 0.25 0.00 0.00 -0.22 0.00 0.00 33.01 33.08 2kum s GLN 28 CO 0.23 -0.17 -0.14 0.08 -0.25 0.00 0.00 175.29 175.04 2kum s VAL 29 N -3.28 2.65 -0.18 1.09 1.01 -1.26 -0.37 120.40 120.06 2kum s VAL 29 Ca 0.01 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2kum s VAL 29 Cb 0.03 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2kum s VAL 29 CO -0.08 0.50 -0.14 -1.83 0.00 0.00 0.00 175.10 173.55 2kum s GLU 30 N 1.10 3.18 -0.24 2.72 -1.05 0.23 -4.97 118.70 119.67 2kum s GLU 30 Ca 0.00 -0.75 -0.17 0.00 -0.15 0.00 0.00 54.97 53.91 2kum s GLU 30 Cb -0.14 -2.69 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 2kum s GLU 30 CO -0.04 -0.10 0.47 -1.17 0.95 0.00 0.00 175.26 175.36 2kum s LEU 31 N 1.10 4.08 -0.26 1.83 2.96 -1.26 -1.05 118.68 126.08 2kum s LEU 31 Ca 0.00 0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 54.21 2kum s LEU 31 Cb -0.14 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 2kum s LEU 31 CO -0.05 -0.22 0.55 -1.58 -1.32 0.00 0.00 176.35 173.74 2kum s GLN 32 N 2.00 4.07 0.43 1.98 0.74 0.54 -4.99 119.66 124.44 2kum s GLN 32 Ca 0.20 0.39 -0.19 0.00 0.05 0.00 0.00 55.36 55.81 2kum s GLN 32 Cb -0.15 -3.65 -0.10 0.00 1.10 0.00 0.00 33.01 30.20 2kum s GLN 32 CO 0.09 -0.38 0.92 -1.21 -0.55 0.00 0.00 175.29 174.16 2kum s GLU 33 N 2.38 4.11 0.00 1.67 2.02 -1.26 -1.88 118.70 125.74 2kum s GLU 33 Ca 0.23 0.99 0.23 0.00 0.02 0.00 0.00 54.97 56.44 2kum s GLU 33 Cb -0.16 -2.22 1.06 0.00 0.10 0.00 0.00 34.13 32.92 2kum s GLU 33 CO 0.09 -0.06 1.76 0.00 0.02 0.00 0.00 175.26 177.07 2kum n ALA 34 N -0.84 2.11 -1.31 5.21 0.00 -1.26 -3.35 120.51 121.08 2kum n ALA 34 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kum n ALA 34 Cb 0.54 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.43 0.00 0.00 0.00 5.75 -1.08 -3.09 116.55 116.70 2kum n ASP 35 Ca 0.08 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2kum n ASP 35 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kum n GLY 36 N 0.00 0.98 0.74 6.12 0.00 -1.21 -4.65 105.19 107.17 2kum n GLY 36 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2kum n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kum n ASP 37 N -0.15 2.82 -3.55 1.61 8.00 -1.26 -4.98 116.55 119.04 2kum n ASP 37 Ca 0.00 -1.84 -0.14 0.00 0.71 0.00 0.00 54.79 53.52 2kum n ASP 37 Cb 0.00 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kum n HIS 39 N 0.36 2.02 -3.66 0.00 1.44 -1.26 -2.63 115.22 111.49 2kum n HIS 39 Ca -0.18 -2.12 -0.13 0.00 -2.01 0.00 0.00 57.72 53.28 2kum n HIS 39 Cb 0.61 -1.03 -0.08 0.00 0.12 0.00 0.00 29.99 29.60 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 -2.35 -0.48 -0.15 2.39 0.20 -1.18 -4.91 118.68 112.20 2kum s LEU 40 Ca 0.40 1.29 -0.15 0.00 0.69 0.00 0.00 54.13 56.36 2kum s LEU 40 Cb 0.32 2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 48.20 2kum s LEU 40 CO 0.01 -0.22 0.36 -1.58 -0.29 0.00 0.00 176.35 174.63 2kum s GLN 41 N 0.57 4.28 0.01 1.98 0.74 -1.26 -4.00 119.66 121.98 2kum s GLN 41 Ca -0.02 0.22 -0.10 0.00 0.05 0.00 0.00 55.36 55.52 2kum s GLN 41 Cb -0.05 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.63 2kum s GLN 41 CO -0.03 0.18 0.19 0.00 -0.55 0.00 0.00 175.29 175.09 2kum s ALA 42 N 0.61 -0.42 -0.42 1.58 0.00 -0.79 -4.56 121.76 117.77 2kum s ALA 42 Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 2kum s ALA 42 Cb -0.14 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.25 2kum s ALA 42 CO 0.06 -0.28 0.23 -0.06 0.00 0.00 0.00 175.76 175.72 2kum s PHE 43 N -1.86 3.44 -0.13 0.00 0.40 0.30 -0.34 117.98 119.80 2kum s PHE 43 Ca -0.11 -1.97 -0.13 0.00 -0.60 0.00 0.00 56.93 54.13 2kum s PHE 43 Cb -0.04 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 2kum s PHE 43 CO -0.00 -0.92 0.29 0.08 0.70 0.00 0.00 175.22 175.36 2kum s VAL 44 N 1.29 5.29 -0.25 -0.44 1.01 -0.21 -1.28 120.40 125.80 2kum s VAL 44 Ca 0.05 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 2kum s VAL 44 Cb -0.23 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2kum s VAL 44 CO -0.01 0.46 0.16 -0.76 0.00 0.00 0.00 175.10 174.95 2kum s LEU 45 N -0.03 4.00 -0.73 3.92 1.43 0.75 -0.60 118.68 127.42 2kum s LEU 45 Ca 0.17 0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 2kum s LEU 45 Cb -0.13 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.12 2kum s LEU 45 CO 0.05 0.02 0.87 -2.28 0.23 0.00 0.00 176.35 175.25 2kum s HIS 46 N 1.33 3.08 0.81 0.29 5.65 0.50 -0.88 115.29 126.07 2kum s HIS 46 Ca 0.07 -1.15 -0.12 0.00 0.25 0.00 0.00 55.06 54.12 2kum s HIS 46 Cb -0.15 -4.11 0.08 0.00 -1.18 0.00 0.00 32.58 27.22 2kum s HIS 46 CO 0.07 -1.37 1.12 -0.51 -0.65 0.00 0.00 174.74 173.40 2kum s LEU 47 N 2.59 2.48 0.47 8.88 1.02 0.24 0.03 118.68 134.39 2kum s LEU 47 Ca 0.20 1.10 0.32 0.00 0.02 0.00 0.00 54.13 55.76 2kum s LEU 47 Cb -0.16 -3.65 1.43 0.00 0.02 0.00 0.00 46.19 43.83 2kum s LEU 47 CO 0.01 -2.00 1.95 0.00 0.02 0.00 0.00 176.35 176.32 2kum h ALA 48 N -1.11 1.00 0.00 4.21 0.00 -1.06 -2.96 119.26 119.34 2kum h ALA 48 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kum h ALA 48 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kum h ALA 48 CO 0.62 0.00 -1.08 1.04 0.00 0.00 0.00 179.25 179.83 2kum n GLN 49 N -2.77 0.61 -3.83 0.00 3.00 -1.26 -5.10 117.38 108.02 2kum n GLN 49 Ca 0.00 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 56.90 2kum n GLN 49 Cb 0.22 -1.05 0.02 0.00 0.00 0.00 0.00 30.24 29.43 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 -2.17 1.88 -0.01 -1.09 1.70 -1.12 -5.02 118.95 113.12 2kum s ARG 50 Ca -0.01 -1.19 0.03 0.00 -0.47 0.00 0.00 55.73 54.08 2kum s ARG 50 Cb 0.02 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.93 2kum s ARG 50 CO 0.15 -0.88 -0.10 -1.12 -1.08 0.00 0.00 175.30 172.28 2kum s SER 51 N -3.17 1.15 0.01 -2.89 0.01 -1.22 0.79 113.70 108.39 2kum s SER 51 Ca 0.17 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.32 2kum s SER 51 Cb -0.04 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 2kum s SER 51 CO 0.09 0.11 -0.18 -0.63 0.41 0.00 0.00 173.24 173.04 2kum s ILE 52 N -0.15 2.77 -0.26 1.44 1.01 -0.06 -4.06 121.20 121.89 2kum s ILE 52 Ca 0.03 -1.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 2kum s ILE 52 Cb -0.05 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2kum s ILE 52 CO -0.00 0.44 0.14 0.00 0.00 0.00 0.00 174.94 175.52 2kum s ILE 54 N 1.59 2.76 0.10 0.00 1.01 -0.41 -0.83 121.20 125.43 2kum s ILE 54 Ca 0.07 -1.17 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 2kum s ILE 54 Cb -0.15 -2.15 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 2kum s ILE 54 CO 0.08 0.36 1.05 -2.28 0.00 0.00 0.00 174.94 174.14 2kum s HIS 55 N -0.90 3.65 0.67 3.97 5.65 -1.26 -0.54 115.29 126.52 2kum s HIS 55 Ca 0.14 1.63 -0.17 0.00 0.25 0.00 0.00 55.06 56.91 2kum s HIS 55 Cb -0.10 -3.20 -0.03 0.00 -1.18 0.00 0.00 32.58 28.06 2kum s HIS 55 CO 0.05 -0.36 0.81 -2.30 -0.65 0.00 0.00 174.74 172.29 2kum n PRO 56 N 3.08 0.58 -0.76 2.88 -0.02 -1.26 -2.38 135.00 137.11 2kum n PRO 56 Ca 0.04 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2kum n PRO 56 Cb 0.48 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.13 0.00 -2.43 -0.52 1.13 -1.26 -5.00 117.38 108.17 2kum n GLN 57 Ca 0.13 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.76 2kum n GLN 57 Cb 0.49 -2.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.16 2kum n GLN 57 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2kum s ASN 58 N -2.99 7.00 0.58 1.08 -0.87 -1.00 -4.90 114.94 113.84 2kum s ASN 58 Ca 0.00 1.81 0.28 0.00 -1.57 0.00 0.00 52.86 53.39 2kum s ASN 58 Cb 0.00 -2.55 1.55 0.00 -0.02 0.00 0.00 41.25 40.22 2kum s ASN 58 CO 0.00 -0.64 2.00 1.55 -2.57 0.00 0.00 177.10 177.44 2kum h PRO 59 N 7.69 0.00 -0.03 -0.60 0.13 -1.94 -0.30 132.00 136.94 2kum h PRO 59 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kum h PRO 59 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kum h PRO 59 CO 0.90 0.00 -0.00 1.03 -0.23 0.00 0.00 178.00 179.70 2kum h SER 60 N 0.00 0.04 0.00 1.44 0.87 -1.94 0.54 113.55 114.50 2kum h SER 60 Ca 0.16 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2kum h SER 60 Cb 0.83 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2kum h SER 60 CO -0.00 0.05 -0.04 0.25 -0.53 0.00 0.00 176.83 176.56 2kum h LEU 61 N 0.04 0.00 -0.40 2.23 7.12 -1.41 -2.70 115.31 120.19 2kum h LEU 61 Ca 0.01 -0.52 0.00 0.00 0.13 0.00 0.00 57.88 57.50 2kum h LEU 61 Cb 0.04 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 2kum h LEU 61 CO 0.00 0.79 0.25 0.28 -0.13 0.00 0.00 178.44 179.63 2kum h SER 62 N -1.00 0.47 0.07 1.25 0.02 -1.56 -0.83 113.55 111.97 2kum h SER 62 Ca -0.01 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2kum h SER 62 Cb 0.55 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2kum h SER 62 CO -0.01 0.36 -0.17 1.56 -1.14 0.00 0.00 176.83 177.44 2kum h GLN 63 N 0.53 0.20 -0.21 3.45 4.20 -1.06 -1.73 115.11 120.48 2kum h GLN 63 Ca 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2kum h GLN 63 Cb -0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2kum h GLN 63 CO -0.03 0.37 -0.17 2.35 -0.67 0.00 0.00 178.83 180.68 2kum h TRP 64 N 0.18 0.39 -0.20 2.96 -0.00 -0.86 0.32 115.95 118.75 2kum h TRP 64 Ca 0.04 -0.06 0.06 0.00 -0.00 0.00 0.00 58.89 58.92 2kum h TRP 64 Cb 0.41 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 29.40 2kum h TRP 64 CO 0.01 0.52 -0.23 0.74 -0.00 0.00 0.00 178.44 179.48 2kum h PHE 65 N 0.34 -0.60 0.04 2.65 -1.00 -0.26 0.50 116.94 118.61 2kum h PHE 65 Ca 0.06 0.03 -0.22 0.00 2.81 0.00 0.00 57.97 60.65 2kum h PHE 65 Cb 0.49 0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 2kum h PHE 65 CO 0.01 -0.30 -1.03 0.93 -1.61 0.00 0.00 178.31 176.31 2kum h GLU 66 N -0.25 0.10 -0.44 1.51 5.08 -1.32 -2.99 114.58 116.28 2kum h GLU 66 Ca 0.12 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2kum h GLU 66 Cb 0.44 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2kum h GLU 66 CO -0.35 1.04 0.17 0.45 -1.00 0.00 0.00 179.01 179.32 2kum h HIS 67 N 0.04 0.67 -0.10 4.33 3.86 0.05 -2.65 115.15 121.35 2kum h HIS 67 Ca -0.05 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 2kum h HIS 67 Cb 1.76 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 30.01 2kum h HIS 67 CO 0.02 0.58 -0.28 -0.56 0.86 0.00 0.00 177.93 178.55 2kum h GLN 68 N 0.56 0.18 -0.83 2.45 3.07 -0.06 -2.29 115.11 118.20 2kum h GLN 68 Ca 0.15 -0.06 0.13 0.00 0.09 0.00 0.00 58.65 58.96 2kum h GLN 68 Cb 0.19 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.68 2kum h GLN 68 CO -0.01 0.46 0.54 1.49 0.09 0.00 0.00 178.83 181.39 2kum h GLU 69 N 0.17 0.60 -0.62 0.06 4.81 -1.31 -1.68 114.58 116.60 2kum h GLU 69 Ca 0.02 -0.04 -0.43 0.00 -0.13 0.00 0.00 59.36 58.79 2kum h GLU 69 Cb 0.59 -0.14 -0.28 0.00 0.63 0.00 0.00 28.75 29.55 2kum h GLU 69 CO 0.04 0.40 -0.30 2.89 -0.73 0.00 0.00 179.01 181.31 2kum n ARG 70 N -4.52 2.80 0.00 1.92 1.85 -0.89 -4.83 116.66 112.98 2kum n ARG 70 Ca 0.15 -3.68 0.00 0.00 -1.00 0.00 0.00 57.85 53.32 2kum n ARG 70 Cb 0.45 -2.10 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 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 -0.90 0.00 0.00 2.89 4.81 -0.63 -4.95 118.16 119.38 2kum n LYS 71 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2kum n LYS 71 Cb 0.91 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.96 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 -1.25 117.00 121.95 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 0.08 1.57 -1.22 0.00 0.00 177.39 177.82 2kum n HIS 73 N 0.00 0.00 -1.28 -1.77 -0.00 -1.26 -4.95 115.22 105.95 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 0.06 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 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 0.65 2.54 1.57 0.00 -0.38 -5.08 105.19 104.49 2kum n GLY 74 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 2kum n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kum n THR 75 N -3.14 0.00 -0.56 2.61 -2.24 -1.26 -4.98 114.28 104.70 2kum n THR 75 Ca 0.00 -0.71 0.07 0.00 -2.27 0.00 0.00 64.05 61.13 2kum n THR 75 Cb 0.25 -1.57 -0.04 0.00 -2.10 0.00 0.00 70.33 66.88 2kum n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kum n LEU 76 N 0.00 -0.39 -4.60 3.22 4.77 -1.26 -4.76 117.00 113.97 2kum n LEU 76 Ca 0.11 0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 56.57 2kum n LEU 76 Cb 0.38 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2kum n LEU 76 CO 0.27 -0.90 0.93 -2.16 -1.33 0.00 0.00 177.39 174.20 2kum s PRO 77 N -3.29 3.78 -0.96 3.23 0.04 -1.26 -4.94 135.00 131.60 2kum s PRO 77 Ca 0.00 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.40 2kum s PRO 77 Cb 0.00 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.66 2kum s PRO 77 CO 0.00 -1.20 1.81 0.15 0.04 0.00 0.00 177.00 177.81 2kum s LYS 78 N 4.04 2.85 0.00 4.56 1.02 -1.26 -4.77 119.74 126.18 2kum s LYS 78 Ca 0.44 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2kum s LYS 78 Cb -0.09 -5.16 0.00 0.00 -0.52 0.00 0.00 37.83 32.05 2kum s LYS 78 CO 0.26 -3.09 0.00 1.28 -0.92 0.00 0.00 175.35 172.88 2kum n LEU 79 N 12.56 0.00 -4.09 3.17 4.77 -1.26 -5.13 117.00 127.02 2kum n LEU 79 Ca 0.39 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 56.09 2kum n LEU 79 Cb 0.48 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 2kum n LEU 79 CO 0.62 0.00 -0.50 0.54 -1.33 0.00 0.00 177.39 176.72 2kum s ASN 80 N 1.00 2.33 -0.31 -1.43 6.03 -1.26 -5.10 114.94 116.20 2kum s ASN 80 Ca 0.00 -0.41 0.03 0.00 -1.03 0.00 0.00 52.86 51.45 2kum s ASN 80 Cb 0.00 -1.07 0.20 0.00 -3.03 0.00 0.00 41.25 37.35 2kum s ASN 80 CO 0.00 0.07 0.68 0.72 -2.03 0.00 0.00 177.10 176.53 2kum s PHE 81 N 0.63 -1.60 -0.13 1.54 -0.71 -1.26 -4.19 117.98 112.25 2kum s PHE 81 Ca -0.14 0.85 0.11 0.00 -1.04 0.00 0.00 56.93 56.70 2kum s PHE 81 Cb -0.16 0.28 -0.23 0.00 -1.21 0.00 0.00 43.02 41.69 2kum s PHE 81 CO 0.04 -0.95 0.31 0.41 -1.34 0.00 0.00 175.22 173.69 2kum n GLY 82 N 5.22 -0.86 3.11 1.99 0.00 -1.26 -2.83 105.19 110.55 2kum n GLY 82 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2kum n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kum s MET 83 N -2.55 0.78 -1.68 1.61 -1.94 -1.26 -4.37 119.30 109.89 2kum s MET 83 Ca -0.13 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 2kum s MET 83 Cb 0.07 -0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.84 2kum s MET 83 CO 0.79 -1.19 0.00 1.28 -0.01 0.00 0.00 175.02 175.90 2kum n LEU 84 N 4.41 -1.71 -4.56 -0.03 4.77 -1.26 -4.86 117.00 113.75 2kum n LEU 84 Ca 0.11 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.81 2kum n LEU 84 Cb 0.54 -2.64 -0.03 0.00 -2.33 0.00 0.00 43.42 38.96 2kum n LEU 84 CO 0.02 -0.39 1.81 -0.13 -1.33 0.00 0.00 177.39 177.37 2kum s ARG 85 N -4.57 2.55 0.00 3.23 0.52 -1.26 0.34 118.95 119.76 2kum s ARG 85 Ca 0.00 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 2kum s ARG 85 Cb 0.00 -4.45 0.00 0.00 0.52 0.00 0.00 34.95 31.02 2kum s ARG 85 CO 0.00 -2.78 0.00 1.63 0.02 0.00 0.00 175.30 174.17 2kum n LYS 86 N 8.96 0.00 -0.02 3.54 4.76 -1.26 -4.43 118.16 129.71 2kum n LYS 86 Ca 0.29 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.80 2kum n LYS 86 Cb 0.52 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.57 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kum n MET 87 N -1.77 0.62 0.00 1.97 2.81 0.06 -5.21 117.12 115.61 2kum n MET 87 Ca 0.00 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2kum n MET 87 Cb 0.00 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89