#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 2.44 -0.30 -2.13 0.05 -1.26 -4.92 118.68 112.55 2kum s LEU 2 Ca 0.00 -0.49 -0.29 0.00 0.05 0.00 0.00 54.13 53.40 2kum s LEU 2 Cb 0.00 -1.42 -0.00 0.00 -2.05 0.00 0.00 46.19 42.71 2kum s LEU 2 CO 0.00 0.26 1.37 -0.76 -0.55 0.00 0.00 176.35 176.67 2kum s LEU 3 N -1.36 3.83 0.41 1.48 2.01 -1.26 -4.97 118.68 118.81 2kum s LEU 3 Ca 0.13 1.22 -0.25 0.00 0.01 0.00 0.00 54.13 55.24 2kum s LEU 3 Cb -0.10 -3.54 -0.11 0.00 0.01 0.00 0.00 46.19 42.45 2kum s LEU 3 CO 0.04 -1.17 1.11 -2.65 1.01 0.00 0.00 176.35 174.69 2kum n PRO 4 N 7.50 1.56 -1.68 1.29 -0.02 -1.26 -4.79 135.00 137.60 2kum n PRO 4 Ca 0.16 0.56 -0.49 0.00 -2.02 0.00 0.00 63.50 61.71 2kum n PRO 4 Cb 0.47 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 2kum n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kum n PRO 5 N 0.15 2.01 -2.33 0.52 -0.02 -1.26 -0.50 135.00 133.57 2kum n PRO 5 Ca 0.08 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.10 2kum n PRO 5 Cb 0.39 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 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 5.56 -5.69 -1.69 2.55 7.64 -1.26 -4.80 113.62 115.93 2kum n SER 6 Ca 0.22 0.05 0.01 0.00 1.01 0.00 0.00 58.87 60.16 2kum n SER 6 Cb 0.27 -4.76 0.02 0.00 -1.01 0.00 0.00 64.21 58.72 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 -3.81 0.21 -2.75 0.44 -1.04 0.35 -5.04 114.28 102.64 2kum n THR 7 Ca -0.23 -1.16 -0.43 0.00 -2.04 0.00 0.00 64.05 60.19 2kum n THR 7 Cb 0.68 0.97 -0.02 0.00 -1.82 0.00 0.00 70.33 70.14 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 -0.62 3.20 -0.83 2.41 0.00 -1.16 -4.21 121.76 120.55 2kum s ALA 8 Ca 0.27 -2.68 -0.09 0.00 0.00 0.00 0.00 51.96 49.46 2kum s ALA 8 Cb 0.32 -4.32 0.21 0.00 0.00 0.00 0.00 23.12 19.34 2kum s ALA 8 CO -0.12 -3.23 0.74 0.00 0.00 0.00 0.00 175.76 173.15 2kum h THR 11 N 5.59 0.91 -3.41 0.00 1.35 -2.00 -3.47 112.91 111.87 2kum h THR 11 Ca -0.25 -2.51 -0.48 0.00 -0.55 0.00 0.00 66.41 62.62 2kum h THR 11 Cb 1.10 2.72 0.04 0.00 -1.73 0.00 0.00 68.15 70.29 2kum h THR 11 CO 0.86 0.86 0.09 0.00 -0.25 0.00 0.00 175.52 177.08 2kum s GLN 12 N -2.58 3.10 -0.02 4.72 1.03 -1.26 -5.11 119.66 119.55 2kum s GLN 12 Ca -0.16 -0.08 -0.02 0.00 0.04 0.00 0.00 55.36 55.15 2kum s GLN 12 Cb 0.06 -2.37 0.00 0.00 0.03 0.00 0.00 33.01 30.73 2kum s GLN 12 CO 0.84 -0.47 0.04 -0.51 -2.54 0.00 0.00 175.29 172.65 2kum s LEU 13 N -4.82 1.84 -0.04 2.60 1.43 -1.26 -4.82 118.68 113.61 2kum s LEU 13 Ca 0.51 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.53 2kum s LEU 13 Cb -0.10 0.16 -0.32 0.00 0.03 0.00 0.00 46.19 45.96 2kum s LEU 13 CO 0.43 -0.03 0.76 0.22 0.23 0.00 0.00 176.35 177.96 2kum h TYR 14 N 6.00 0.73 -3.48 0.29 3.20 -1.02 -3.48 116.97 119.21 2kum h TYR 14 Ca -0.25 -0.53 -0.17 0.00 3.14 0.00 0.00 58.73 60.92 2kum h TYR 14 Cb 1.21 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 2kum h TYR 14 CO 0.42 1.59 -0.20 2.89 -1.64 0.00 0.00 178.16 181.22 2kum n ARG 15 N -3.74 -2.12 -4.48 1.82 1.85 -1.23 -4.93 116.66 103.83 2kum n ARG 15 Ca -0.22 0.44 -0.26 0.00 -1.00 0.00 0.00 57.85 56.81 2kum n ARG 15 Cb 1.03 -4.90 -0.13 0.00 -1.05 0.00 0.00 32.46 27.40 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2kum s LYS 16 N -4.40 1.34 0.03 2.89 1.02 -1.26 -5.03 119.74 114.33 2kum s LYS 16 Ca 0.00 -1.14 -0.34 0.00 0.02 0.00 0.00 55.97 54.52 2kum s LYS 16 Cb 0.00 -1.61 -0.12 0.00 -0.52 0.00 0.00 37.83 35.58 2kum s LYS 16 CO 0.00 0.39 1.76 -2.30 -0.92 0.00 0.00 175.35 174.28 2kum n PRO 17 N 1.34 2.24 -3.55 -1.68 -0.02 -1.26 -4.89 135.00 127.17 2kum n PRO 17 Ca -0.18 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 2kum n PRO 17 Cb 0.53 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 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 2.72 4.27 0.28 2.45 1.43 -1.26 -5.07 118.68 123.51 2kum s LEU 18 Ca 0.86 0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 54.63 2kum s LEU 18 Cb -0.66 -3.31 -0.07 0.00 0.03 0.00 0.00 46.19 42.17 2kum s LEU 18 CO 0.45 0.06 0.62 -0.44 0.23 0.00 0.00 176.35 177.27 2kum s SER 19 N -2.17 6.62 0.53 2.29 0.01 -1.26 -4.94 113.70 114.78 2kum s SER 19 Ca 0.40 1.00 0.19 0.00 1.31 0.00 0.00 55.95 58.86 2kum s SER 19 Cb -0.13 -2.26 1.36 0.00 0.21 0.00 0.00 66.02 65.21 2kum s SER 19 CO 0.21 -0.16 2.15 0.44 0.41 0.00 0.00 173.24 176.29 2kum h ASP 20 N 2.19 0.00 -0.31 2.44 3.32 -1.98 0.87 116.42 122.95 2kum h ASP 20 Ca -0.47 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2kum h ASP 20 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 2kum h ASP 20 CO 0.67 0.00 0.02 0.11 -1.72 0.00 0.00 179.24 178.32 2kum h LYS 21 N 0.00 0.12 0.03 3.56 1.57 -2.01 -0.18 116.57 119.65 2kum h LYS 21 Ca 0.03 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.58 2kum h LYS 21 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2kum h LYS 21 CO -0.00 0.08 -0.98 1.37 -0.57 0.00 0.00 179.45 179.35 2kum h LEU 22 N 0.12 0.34 -1.14 2.94 8.10 -1.80 -3.36 115.31 120.51 2kum h LEU 22 Ca 0.15 -0.30 -0.05 0.00 0.11 0.00 0.00 57.88 57.79 2kum h LEU 22 Cb 0.19 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 40.28 2kum h LEU 22 CO -0.23 1.13 0.09 0.25 -4.11 0.00 0.00 178.44 175.57 2kum h LEU 23 N 0.12 0.64 -0.46 0.17 5.85 -0.03 -0.95 115.31 120.66 2kum h LEU 23 Ca -0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kum h LEU 23 Cb 1.64 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2kum h LEU 23 CO 0.16 0.66 0.00 -2.11 -0.34 0.00 0.00 178.44 176.80 2kum n ARG 24 N -4.29 0.08 -0.19 1.25 1.85 -0.16 -1.67 116.66 113.54 2kum n ARG 24 Ca 0.03 0.42 0.11 0.00 -1.00 0.00 0.00 57.85 57.41 2kum n ARG 24 Cb 0.22 -1.69 0.26 0.00 -1.05 0.00 0.00 32.46 30.20 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 -1.85 2.33 -2.43 2.89 5.02 -0.36 -4.54 118.16 119.22 2kum n LYS 25 Ca 0.01 -2.01 -0.42 0.00 -2.02 0.00 0.00 58.31 53.87 2kum n LYS 25 Cb 0.13 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.50 4.03 -0.11 -0.18 1.01 -0.67 -1.85 120.40 121.14 2kum s VAL 26 Ca 0.38 1.47 0.14 0.00 0.00 0.00 0.00 61.98 63.97 2kum s VAL 26 Cb 0.21 -3.94 -0.20 0.00 0.00 0.00 0.00 36.38 32.45 2kum s VAL 26 CO 0.30 0.12 0.13 2.30 0.00 0.00 0.00 175.10 177.95 2kum n ILE 27 N 3.87 0.74 -3.97 2.22 -5.35 0.88 -4.91 119.36 112.84 2kum n ILE 27 Ca 0.09 -0.56 -0.16 0.00 -0.27 0.00 0.00 62.75 61.85 2kum n ILE 27 Cb 0.46 -0.40 -0.15 0.00 -1.74 0.00 0.00 39.64 37.81 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 -2.57 0.27 -0.29 6.28 -1.52 -1.06 -4.61 119.66 116.16 2kum s GLN 28 Ca -0.07 -0.00 -0.07 0.00 -1.95 0.00 0.00 55.36 53.27 2kum s GLN 28 Cb 0.06 -0.37 0.00 0.00 -0.22 0.00 0.00 33.01 32.49 2kum s GLN 28 CO 0.63 -0.05 0.08 0.08 -0.25 0.00 0.00 175.29 175.77 2kum s VAL 29 N 0.55 4.02 0.08 1.09 1.01 -1.26 -1.80 120.40 124.08 2kum s VAL 29 Ca -0.05 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2kum s VAL 29 Cb -0.08 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2kum s VAL 29 CO -0.01 0.13 -0.20 -1.83 0.00 0.00 0.00 175.10 173.18 2kum s GLU 30 N 1.52 1.20 -0.34 2.72 -1.05 -0.99 -4.92 118.70 116.85 2kum s GLU 30 Ca 0.03 -1.06 -0.05 0.00 -0.15 0.00 0.00 54.97 53.75 2kum s GLU 30 Cb -0.17 -1.39 0.05 0.00 -0.44 0.00 0.00 34.13 32.18 2kum s GLU 30 CO 0.03 0.34 0.09 -1.17 0.95 0.00 0.00 175.26 175.49 2kum s LEU 31 N -1.60 4.33 0.05 1.83 2.96 -1.26 -1.03 118.68 123.96 2kum s LEU 31 Ca 0.06 -1.27 -0.31 0.00 -0.22 0.00 0.00 54.13 52.39 2kum s LEU 31 Cb -0.09 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2kum s LEU 31 CO 0.03 -0.34 1.28 -1.58 -1.32 0.00 0.00 176.35 174.42 2kum s GLN 32 N 1.34 4.37 0.22 1.98 0.74 0.14 -4.91 119.66 123.53 2kum s GLN 32 Ca -0.02 1.87 0.04 0.00 0.05 0.00 0.00 55.36 57.30 2kum s GLN 32 Cb -0.20 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 2kum s GLN 32 CO 0.01 -0.38 0.35 -1.21 -0.55 0.00 0.00 175.29 173.51 2kum s GLU 33 N 1.47 3.45 0.10 1.67 2.02 -1.23 -1.36 118.70 124.82 2kum s GLU 33 Ca 0.61 -0.66 0.15 0.00 0.02 0.00 0.00 54.97 55.09 2kum s GLU 33 Cb -0.31 -2.89 0.67 0.00 0.10 0.00 0.00 34.13 31.69 2kum s GLU 33 CO 0.28 0.44 1.47 0.00 0.02 0.00 0.00 175.26 177.47 2kum n ALA 34 N -1.13 1.48 -0.45 5.21 0.00 -1.25 -2.79 120.51 121.58 2kum n ALA 34 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kum n ALA 34 Cb 0.56 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.78 0.00 -4.54 0.00 2.03 -1.20 -3.43 116.55 107.62 2kum n ASP 35 Ca 0.02 -0.30 -0.43 0.00 0.52 0.00 0.00 54.79 54.60 2kum n ASP 35 Cb 0.14 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.00 1.53 0.00 0.27 0.00 -1.12 -4.43 107.32 103.58 2kum s GLY 36 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2kum s GLY 36 CO 0.00 1.90 0.00 1.34 0.00 0.00 0.00 173.10 176.34 2kum n ASP 37 N 6.95 0.00 -1.17 1.64 -0.08 -1.26 -3.52 116.55 119.12 2kum n ASP 37 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2kum n ASP 37 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 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 -0.08 0.00 -3.48 0.00 1.44 -1.26 -3.27 115.22 108.56 2kum n HIS 39 Ca 0.00 -1.20 -0.15 0.00 -2.01 0.00 0.00 57.72 54.37 2kum n HIS 39 Cb 0.00 -0.21 -0.04 0.00 0.12 0.00 0.00 29.99 29.86 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 -2.47 -0.52 -0.12 2.39 0.05 -1.18 -4.72 118.68 112.11 2kum s LEU 40 Ca 0.35 0.30 -0.16 0.00 0.05 0.00 0.00 54.13 54.67 2kum s LEU 40 Cb 0.35 2.50 -0.05 0.00 -2.05 0.00 0.00 46.19 46.94 2kum s LEU 40 CO -0.07 -0.79 0.39 -1.58 -0.55 0.00 0.00 176.35 173.74 2kum s GLN 41 N -2.59 4.23 -0.27 1.48 0.74 -1.25 -3.75 119.66 118.25 2kum s GLN 41 Ca -0.04 0.30 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 2kum s GLN 41 Cb -0.01 -3.40 0.07 0.00 1.10 0.00 0.00 33.01 30.78 2kum s GLN 41 CO -0.03 0.28 0.70 0.00 -0.55 0.00 0.00 175.29 175.69 2kum s ALA 42 N 0.28 -1.82 -0.62 1.58 0.00 -0.46 -4.36 121.76 116.36 2kum s ALA 42 Ca 0.22 2.22 -0.25 0.00 0.00 0.00 0.00 51.96 54.15 2kum s ALA 42 Cb -0.14 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.72 2kum s ALA 42 CO 0.08 -0.36 1.04 -0.06 0.00 0.00 0.00 175.76 176.46 2kum s PHE 43 N 1.04 2.64 -0.16 0.00 0.40 0.12 0.24 117.98 122.26 2kum s PHE 43 Ca -0.05 -0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.07 2kum s PHE 43 Cb -0.05 -4.29 -0.05 0.00 0.51 0.00 0.00 43.02 39.14 2kum s PHE 43 CO -0.10 -1.60 0.14 0.08 0.70 0.00 0.00 175.22 174.44 2kum s VAL 44 N 4.44 5.45 -0.26 -0.44 1.01 -0.19 -2.68 120.40 127.72 2kum s VAL 44 Ca 0.30 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 2kum s VAL 44 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2kum s VAL 44 CO 0.17 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 175.12 2kum s LEU 45 N -0.32 3.55 -0.37 3.92 1.43 -0.28 -2.34 118.68 124.28 2kum s LEU 45 Ca 0.12 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 2kum s LEU 45 Cb -0.12 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.20 2kum s LEU 45 CO 0.01 -0.05 0.18 -2.28 0.23 0.00 0.00 176.35 174.44 2kum s HIS 46 N 1.63 3.27 0.54 0.29 2.46 -0.74 -1.60 115.29 121.12 2kum s HIS 46 Ca 0.06 -1.24 -0.05 0.00 0.47 0.00 0.00 55.06 54.30 2kum s HIS 46 Cb -0.15 -2.47 -0.01 0.00 -0.13 0.00 0.00 32.58 29.81 2kum s HIS 46 CO 0.04 -0.72 0.84 -0.51 -2.47 0.00 0.00 174.74 171.93 2kum s LEU 47 N 1.47 3.41 0.59 8.88 1.02 0.46 -0.08 118.68 134.43 2kum s LEU 47 Ca 0.01 0.75 0.29 0.00 0.02 0.00 0.00 54.13 55.20 2kum s LEU 47 Cb -0.20 -3.63 1.72 0.00 0.02 0.00 0.00 46.19 44.10 2kum s LEU 47 CO 0.04 -0.86 2.16 0.00 0.02 0.00 0.00 176.35 177.71 2kum h ALA 48 N 0.01 1.70 0.00 4.21 0.00 -1.72 -3.00 119.26 120.46 2kum h ALA 48 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kum h ALA 48 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kum h ALA 48 CO 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2kum n GLN 49 N -3.82 0.31 -3.76 0.00 0.00 -1.26 -5.09 117.38 103.76 2kum n GLN 49 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 57.00 56.39 2kum n GLN 49 Cb 0.23 -0.78 -0.01 0.00 0.00 0.00 0.00 30.24 29.68 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 -0.22 1.16 -0.01 2.61 1.70 -1.13 -5.10 118.95 117.95 2kum s ARG 50 Ca 0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 2kum s ARG 50 Cb 0.00 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 2kum s ARG 50 CO 0.00 -0.53 0.01 -1.12 -1.08 0.00 0.00 175.30 172.58 2kum s SER 51 N -2.99 0.05 -0.09 -2.89 0.01 -1.26 -0.40 113.70 106.13 2kum s SER 51 Ca 0.13 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.44 2kum s SER 51 Cb -0.01 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2kum s SER 51 CO 0.02 -0.06 -0.17 -0.63 0.41 0.00 0.00 173.24 172.81 2kum s ILE 52 N 0.52 1.55 -0.26 1.44 1.01 -0.63 -4.81 121.20 120.02 2kum s ILE 52 Ca -0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2kum s ILE 52 Cb -0.06 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2kum s ILE 52 CO -0.01 0.45 0.14 0.00 0.00 0.00 0.00 174.94 175.52 2kum s ILE 54 N 1.51 1.80 0.45 0.00 1.01 -1.09 -0.27 121.20 124.60 2kum s ILE 54 Ca 0.07 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 2kum s ILE 54 Cb -0.15 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 2kum s ILE 54 CO 0.07 0.51 0.79 -1.38 0.00 0.00 0.00 174.94 174.93 2kum s HIS 55 N -0.43 3.52 0.73 3.97 -3.43 -1.26 0.13 115.29 118.51 2kum s HIS 55 Ca 0.06 0.97 -0.16 0.00 -0.80 0.00 0.00 55.06 55.13 2kum s HIS 55 Cb -0.10 -2.41 0.03 0.00 -1.43 0.00 0.00 32.58 28.68 2kum s HIS 55 CO 0.00 -0.21 1.17 -0.35 -2.00 0.00 0.00 174.74 173.35 2kum n PRO 56 N -1.75 0.59 -2.67 -0.38 -0.04 -1.26 -3.93 135.00 125.55 2kum n PRO 56 Ca 0.02 0.26 -0.06 0.00 -0.04 0.00 0.00 63.50 63.69 2kum n PRO 56 Cb 0.54 -2.41 0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2kum n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kum n GLN 57 N -2.42 -1.29 -3.76 0.54 1.13 -1.26 -5.04 117.38 105.28 2kum n GLN 57 Ca 0.14 0.88 -0.14 0.00 -1.94 0.00 0.00 57.00 55.94 2kum n GLN 57 Cb 0.49 -4.53 -0.15 0.00 0.11 0.00 0.00 30.24 26.16 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 -3.01 -0.01 0.50 1.08 3.84 -1.25 -5.04 114.94 111.04 2kum s ASN 58 Ca 0.18 0.15 0.27 0.00 0.21 0.00 0.00 52.86 53.67 2kum s ASN 58 Cb -0.02 0.04 1.35 0.00 -0.55 0.00 0.00 41.25 42.07 2kum s ASN 58 CO 0.52 -0.14 1.87 1.55 -2.79 0.00 0.00 177.10 178.12 2kum h PRO 59 N 7.26 0.13 -0.24 0.43 0.13 -1.96 -1.59 132.00 136.17 2kum h PRO 59 Ca -0.44 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2kum h PRO 59 Cb 1.13 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kum h PRO 59 CO 0.46 0.09 -0.33 1.03 -0.23 0.00 0.00 178.00 179.02 2kum h SER 60 N 0.13 0.70 -0.27 1.44 0.87 -1.95 -2.25 113.55 112.23 2kum h SER 60 Ca 0.45 -0.51 -0.15 0.00 -1.23 0.00 0.00 61.79 60.36 2kum h SER 60 Cb 1.56 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2kum h SER 60 CO -0.07 1.07 -0.40 0.25 -0.53 0.00 0.00 176.83 177.14 2kum h LEU 61 N 0.35 0.82 -0.21 2.23 7.12 -1.68 -0.19 115.31 123.75 2kum h LEU 61 Ca 0.03 -0.51 0.02 0.00 0.13 0.00 0.00 57.88 57.54 2kum h LEU 61 Cb 0.91 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.78 2kum h LEU 61 CO 0.08 1.17 0.08 -1.28 -0.13 0.00 0.00 178.44 178.36 2kum h SER 62 N 0.49 0.11 -0.69 1.25 0.87 -1.49 -0.63 113.55 113.45 2kum h SER 62 Ca 0.03 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2kum h SER 62 Cb 1.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 2kum h SER 62 CO 0.09 0.09 0.44 1.56 -0.53 0.00 0.00 176.83 178.49 2kum h GLN 63 N 0.19 0.93 0.00 2.24 4.20 -1.30 -2.28 115.11 119.09 2kum h GLN 63 Ca 0.09 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2kum h GLN 63 Cb 0.05 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2kum h GLN 63 CO -0.08 0.63 -0.37 2.35 -0.67 0.00 0.00 178.83 180.69 2kum h TRP 64 N 0.95 0.00 0.07 2.96 -0.00 0.07 0.48 115.95 120.47 2kum h TRP 64 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.14 2kum h TRP 64 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.08 2kum h TRP 64 CO 0.00 0.37 -0.03 0.74 -0.00 0.00 0.00 178.44 179.52 2kum h PHE 65 N 0.00 -0.08 -0.31 2.65 0.04 -0.55 0.66 116.94 119.34 2kum h PHE 65 Ca -0.00 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2kum h PHE 65 Cb 0.73 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 2kum h PHE 65 CO 0.00 0.02 0.09 0.93 -0.60 0.00 0.00 178.31 178.74 2kum h GLU 66 N -0.16 0.49 -0.42 1.51 5.08 -1.35 -3.00 114.58 116.73 2kum h GLU 66 Ca -0.01 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 2kum h GLU 66 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2kum h GLU 66 CO 0.01 0.55 -0.25 0.45 -1.00 0.00 0.00 179.01 178.77 2kum h HIS 67 N 0.35 1.07 -0.19 4.33 3.86 0.06 -2.94 115.15 121.68 2kum h HIS 67 Ca 0.10 -0.28 -0.05 0.00 -1.16 0.00 0.00 60.37 58.98 2kum h HIS 67 Cb 0.27 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2kum h HIS 67 CO 0.01 1.08 -0.10 -0.56 0.86 0.00 0.00 177.93 179.23 2kum h GLN 68 N 0.74 0.30 -0.25 2.45 3.07 0.32 0.15 115.11 121.89 2kum h GLN 68 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 2kum h GLN 68 Cb 0.83 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.33 2kum h GLN 68 CO 0.07 0.41 0.10 1.49 0.09 0.00 0.00 178.83 180.99 2kum h GLU 69 N 0.29 0.35 -0.28 0.06 4.57 -1.37 -2.57 114.58 115.63 2kum h GLU 69 Ca 0.06 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.05 2kum h GLU 69 Cb 0.36 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.78 2kum h GLU 69 CO 0.02 0.29 -0.22 2.89 -1.18 0.00 0.00 179.01 180.81 2kum n ARG 70 N -4.43 1.84 0.00 1.92 1.85 0.04 -5.00 116.66 112.87 2kum n ARG 70 Ca 0.01 -3.27 0.00 0.00 -1.00 0.00 0.00 57.85 53.58 2kum n ARG 70 Cb 0.13 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 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 -1.11 0.00 0.00 2.89 3.00 0.31 -5.00 118.16 118.24 2kum n LYS 71 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 2kum n LYS 71 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.96 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kum n LEU 72 N 0.00 0.00 0.00 3.14 7.99 -1.26 -3.71 117.00 123.16 2kum n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2kum n LEU 72 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2kum n LEU 72 CO 0.00 0.00 0.00 1.57 -1.51 0.00 0.00 177.39 177.45 2kum n HIS 73 N 0.00 0.00 0.00 -1.77 -0.00 -1.26 -4.88 115.22 107.31 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 0.00 1.16 3.55 1.57 0.00 -1.24 -5.06 105.19 105.16 2kum n GLY 74 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.45 0.05 2.61 -4.23 -1.26 -4.89 115.64 109.37 2kum s THR 75 Ca 0.00 -0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.25 2kum s THR 75 Cb 0.00 -4.10 0.06 0.00 1.34 0.00 0.00 72.50 69.79 2kum s THR 75 CO 0.00 -1.06 0.55 -0.76 -0.54 0.00 0.00 174.62 172.81 2kum s LEU 76 N 8.91 -0.22 1.04 4.79 1.43 -1.26 -4.79 118.68 128.58 2kum s LEU 76 Ca 0.64 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.78 2kum s LEU 76 Cb -0.10 2.25 0.23 0.00 0.03 0.00 0.00 46.19 48.61 2kum s LEU 76 CO 0.11 -0.75 1.27 -2.16 0.23 0.00 0.00 176.35 175.06 2kum s PRO 77 N -2.50 0.04 -1.03 1.29 0.04 -1.26 -4.91 135.00 126.67 2kum s PRO 77 Ca -0.05 -0.35 -0.23 0.00 0.04 0.00 0.00 61.00 60.40 2kum s PRO 77 Cb -0.01 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2kum s PRO 77 CO -0.02 -2.83 1.87 0.21 0.04 0.00 0.00 177.00 176.27 2kum s LYS 78 N -5.78 2.75 -0.51 4.56 2.20 -1.26 -4.92 119.74 116.77 2kum s LYS 78 Ca 0.74 -0.76 -0.24 0.00 -0.36 0.00 0.00 55.97 55.35 2kum s LYS 78 Cb -0.05 -5.18 0.04 0.00 -1.51 0.00 0.00 37.83 31.13 2kum s LYS 78 CO 0.54 -3.35 0.90 -0.51 -0.36 0.00 0.00 175.35 172.57 2kum s LEU 79 N 9.39 4.15 -0.05 5.43 1.43 -1.26 -4.86 118.68 132.91 2kum s LEU 79 Ca 0.66 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2kum s LEU 79 Cb -0.03 -2.90 0.12 0.00 0.03 0.00 0.00 46.19 43.40 2kum s LEU 79 CO 0.03 -1.13 0.83 -0.46 0.23 0.00 0.00 176.35 175.85 2kum n ASN 80 N 7.22 2.15 -2.32 2.29 6.94 -1.26 -4.43 115.26 125.84 2kum n ASN 80 Ca 0.02 -2.17 -0.27 0.00 -0.02 0.00 0.00 54.58 52.14 2kum n ASN 80 Cb 0.48 -0.54 0.02 0.00 -2.36 0.00 0.00 39.78 37.38 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2kum n PHE 81 N 0.14 2.11 0.05 -2.53 3.01 -1.26 -4.49 117.46 114.49 2kum n PHE 81 Ca 0.06 -2.23 -0.05 0.00 1.01 0.00 0.00 57.45 56.24 2kum n PHE 81 Cb 0.48 -1.23 0.16 0.00 -0.01 0.00 0.00 39.48 38.88 2kum n PHE 81 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2kum h GLY 82 N 2.93 0.42 1.43 1.37 0.00 -1.98 -2.94 103.07 104.29 2kum h GLY 82 Ca 0.43 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.37 2kum h GLY 82 CO 1.07 0.38 0.32 0.00 0.00 0.00 0.00 176.54 178.30 2kum h MET 83 N 0.31 0.52 -0.56 4.80 -0.00 -1.89 -0.43 114.93 117.69 2kum h MET 83 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2kum h MET 83 Cb 0.90 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 2kum h MET 83 CO 0.07 0.34 0.00 -0.11 -0.00 0.00 0.00 176.91 177.22 2kum n LEU 84 N -4.47 2.97 -3.08 -0.10 7.94 -1.11 -1.38 117.00 117.77 2kum n LEU 84 Ca 0.05 -1.49 -0.39 0.00 -1.11 0.00 0.00 56.01 53.07 2kum n LEU 84 Cb 0.14 -0.41 0.03 0.00 0.53 0.00 0.00 43.42 43.71 2kum n LEU 84 CO 0.35 0.57 1.38 0.54 -1.11 0.00 0.00 177.39 179.12 2kum n ARG 85 N 0.69 3.52 -1.60 1.96 1.74 -0.17 -4.82 116.66 117.98 2kum n ARG 85 Ca 0.16 -3.93 -0.18 0.00 -0.77 0.00 0.00 57.85 53.13 2kum n ARG 85 Cb 0.54 -2.32 -0.07 0.00 -1.02 0.00 0.00 32.46 29.59 2kum n ARG 85 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kum n LYS 86 N -0.40 -1.24 -0.00 5.56 4.76 -1.26 -4.80 118.16 120.78 2kum n LYS 86 Ca 0.50 1.09 0.02 0.00 -2.87 0.00 0.00 58.31 57.06 2kum n LYS 86 Cb 0.27 -5.36 -0.03 0.00 -1.84 0.00 0.00 35.03 28.07 2kum n LYS 86 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kum n MET 87 N -2.51 1.59 -0.49 1.97 0.00 -1.25 -5.17 117.12 111.26 2kum n MET 87 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.49 2kum n MET 87 Cb 0.59 -1.01 0.00 0.00 0.00 0.00 0.00 33.22 32.80 2kum n MET 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38