#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 2.05 -0.53 5.98 0.20 -1.26 -5.10 118.68 120.02 2kum s LEU 2 Ca 0.00 -0.46 -0.23 0.00 0.69 0.00 0.00 54.13 54.13 2kum s LEU 2 Cb 0.00 -1.30 0.04 0.00 -0.43 0.00 0.00 46.19 44.50 2kum s LEU 2 CO 0.00 0.30 0.88 -0.76 -0.29 0.00 0.00 176.35 176.47 2kum s LEU 3 N -0.53 4.25 0.64 -0.68 2.01 -1.26 -5.03 118.68 118.08 2kum s LEU 3 Ca 0.08 -0.40 -0.17 0.00 0.01 0.00 0.00 54.13 53.65 2kum s LEU 3 Cb -0.10 -2.80 -0.01 0.00 0.01 0.00 0.00 46.19 43.29 2kum s LEU 3 CO -0.00 -1.14 1.17 -2.84 1.01 0.00 0.00 176.35 174.56 2kum s PRO 4 N 3.67 2.73 -0.01 1.29 0.02 -1.25 -3.86 135.00 137.59 2kum s PRO 4 Ca 0.28 1.68 -0.34 0.00 0.02 0.00 0.00 61.00 62.64 2kum s PRO 4 Cb -0.13 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 2kum s PRO 4 CO 0.19 -1.36 1.77 -2.30 -0.33 0.00 0.00 177.00 174.97 2kum n PRO 5 N -2.08 2.11 -1.02 5.54 -0.02 -1.26 -0.83 135.00 137.44 2kum n PRO 5 Ca 0.13 0.77 -0.01 0.00 -2.02 0.00 0.00 63.50 62.37 2kum n PRO 5 Cb 0.50 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2kum n PRO 5 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kum n SER 6 N 5.48 -4.22 -3.92 2.55 2.88 -1.26 -4.95 113.62 110.18 2kum n SER 6 Ca 0.21 0.02 -0.30 0.00 -1.33 0.00 0.00 58.87 57.47 2kum n SER 6 Cb 0.28 -1.79 -0.14 0.00 -0.75 0.00 0.00 64.21 61.81 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 -1.65 2.40 -0.37 2.46 2.01 -0.01 -5.02 115.64 115.46 2kum s THR 7 Ca 0.00 -3.16 0.01 0.00 0.31 0.00 0.00 61.69 58.85 2kum s THR 7 Cb 0.00 -2.67 0.15 0.00 0.01 0.00 0.00 72.50 69.99 2kum s THR 7 CO 0.00 -0.80 0.26 0.00 -0.69 0.00 0.00 174.62 173.38 2kum s ALA 8 N -0.14 1.03 -0.80 7.40 0.00 -1.26 -3.76 121.76 124.23 2kum s ALA 8 Ca 0.17 -2.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.02 2kum s ALA 8 Cb -0.25 -1.61 0.21 0.00 0.00 0.00 0.00 23.12 21.47 2kum s ALA 8 CO -0.00 -2.07 0.70 0.00 0.00 0.00 0.00 175.76 174.39 2kum n THR 11 N 5.76 1.16 -3.50 0.00 -2.24 -1.26 -4.94 114.28 109.26 2kum n THR 11 Ca 0.17 -0.96 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 2kum n THR 11 Cb 0.44 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.34 1.29 -0.01 -0.78 1.03 -1.26 -5.17 119.66 113.41 2kum s GLN 12 Ca 0.46 -0.56 0.01 0.00 0.04 0.00 0.00 55.36 55.31 2kum s GLN 12 Cb 0.26 0.57 0.00 0.00 0.03 0.00 0.00 33.01 33.87 2kum s GLN 12 CO 0.28 -0.56 -0.04 -0.51 -2.54 0.00 0.00 175.29 171.92 2kum s LEU 13 N -2.78 1.80 0.13 2.60 1.43 -1.26 -4.83 118.68 115.77 2kum s LEU 13 Ca 0.02 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 2kum s LEU 13 Cb -0.01 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 2kum s LEU 13 CO -0.11 0.02 1.60 0.22 0.23 0.00 0.00 176.35 178.31 2kum h TYR 14 N 6.35 0.74 0.00 0.29 3.20 -1.72 -3.46 116.97 122.38 2kum h TYR 14 Ca -0.31 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2kum h TYR 14 Cb 1.18 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2kum h TYR 14 CO 0.43 0.73 0.00 0.54 -1.64 0.00 0.00 178.16 178.23 2kum n ARG 15 N -4.49 0.00 -3.51 1.82 1.74 -1.26 -4.94 116.66 106.02 2kum n ARG 15 Ca -0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.88 2kum n ARG 15 Cb 0.25 -0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 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 3.02 -0.11 5.56 -0.14 -1.26 -4.44 119.74 122.37 2kum s LYS 16 Ca 0.00 -1.09 -0.30 0.00 -1.36 0.00 0.00 55.97 53.23 2kum s LYS 16 Cb 0.00 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 2kum s LYS 16 CO 0.00 0.04 1.40 -2.14 -0.76 0.00 0.00 175.35 173.89 2kum s PRO 17 N -4.15 4.23 0.62 -1.68 0.02 -1.26 -4.27 135.00 128.51 2kum s PRO 17 Ca 0.45 1.86 -0.14 0.00 0.02 0.00 0.00 61.00 63.19 2kum s PRO 17 Cb -0.09 -3.80 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 2kum s PRO 17 CO 0.30 -0.72 1.05 -0.51 -0.33 0.00 0.00 177.00 176.79 2kum s LEU 18 N 3.47 3.37 0.16 -5.54 1.02 -1.26 -4.97 118.68 114.93 2kum s LEU 18 Ca 0.62 1.70 -0.32 0.00 0.02 0.00 0.00 54.13 56.15 2kum s LEU 18 Cb -0.27 -4.51 -0.10 0.00 0.02 0.00 0.00 46.19 41.33 2kum s LEU 18 CO 0.21 -1.18 1.56 -0.44 0.02 0.00 0.00 176.35 176.52 2kum s SER 19 N -3.24 6.60 0.52 2.29 0.01 -1.26 -4.88 113.70 113.75 2kum s SER 19 Ca 0.61 2.59 0.20 0.00 1.31 0.00 0.00 55.95 60.66 2kum s SER 19 Cb -0.14 -2.59 1.36 0.00 0.21 0.00 0.00 66.02 64.86 2kum s SER 19 CO 0.43 -0.81 2.13 -0.78 0.41 0.00 0.00 173.24 174.62 2kum h ASP 20 N 6.84 0.00 -0.34 2.44 3.58 -1.98 -1.06 116.42 125.90 2kum h ASP 20 Ca -0.43 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.06 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 0.91 0.05 0.14 0.11 -2.88 0.00 0.00 179.24 177.57 2kum h LYS 21 N 0.00 0.29 0.00 0.28 1.57 -2.01 -0.95 116.57 115.75 2kum h LYS 21 Ca -0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2kum h LYS 21 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2kum h LYS 21 CO 0.01 0.19 -0.59 1.37 -0.57 0.00 0.00 179.45 179.85 2kum h LEU 22 N 0.30 0.00 -0.26 2.94 8.10 -1.73 -3.30 115.31 121.35 2kum h LEU 22 Ca 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.14 2kum h LEU 22 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 2kum h LEU 22 CO -0.14 0.59 0.16 -0.07 -4.11 0.00 0.00 178.44 174.87 2kum h LEU 23 N 0.00 0.31 0.00 0.17 3.38 -0.33 -1.61 115.31 117.23 2kum h LEU 23 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kum h LEU 23 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kum h LEU 23 CO 0.08 0.27 0.00 -2.11 0.09 0.00 0.00 178.44 176.76 2kum n ARG 24 N -4.88 0.12 -0.01 1.13 1.85 -0.45 -0.22 116.66 114.20 2kum n ARG 24 Ca -0.02 0.08 0.06 0.00 -1.00 0.00 0.00 57.85 56.97 2kum n ARG 24 Cb 0.05 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.10 0.71 -2.38 2.89 5.02 -0.62 -4.40 118.16 118.29 2kum n LYS 25 Ca 0.03 -1.23 -0.42 0.00 -2.02 0.00 0.00 58.31 54.67 2kum n LYS 25 Cb 0.02 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 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 -0.98 3.84 0.24 -0.18 1.01 0.69 -4.54 120.40 120.47 2kum s VAL 26 Ca 0.14 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 2kum s VAL 26 Cb 0.10 -4.34 0.05 0.00 0.00 0.00 0.00 36.38 32.19 2kum s VAL 26 CO 0.15 -0.99 1.67 0.16 0.00 0.00 0.00 175.10 176.08 2kum h ILE 27 N 6.42 1.27 -3.16 2.22 3.07 -1.81 -3.46 117.51 122.06 2kum h ILE 27 Ca -0.27 -1.31 -0.05 0.00 1.55 0.00 0.00 64.86 64.79 2kum h ILE 27 Cb 1.10 1.25 -0.14 0.00 -0.27 0.00 0.00 36.82 38.77 2kum h ILE 27 CO 1.14 0.43 0.01 -1.10 -1.05 0.00 0.00 178.15 177.58 2kum s GLN 28 N -4.57 1.10 0.11 0.16 -1.52 -1.07 -5.01 119.66 108.85 2kum s GLN 28 Ca -0.08 -0.54 0.04 0.00 -1.95 0.00 0.00 55.36 52.83 2kum s GLN 28 Cb 0.13 0.49 -0.04 0.00 -0.22 0.00 0.00 33.01 33.38 2kum s GLN 28 CO 0.82 -0.44 0.06 0.14 -0.25 0.00 0.00 175.29 175.62 2kum s VAL 29 N -3.44 4.30 -0.02 1.09 -7.23 -1.26 -1.25 120.40 112.58 2kum s VAL 29 Ca 0.00 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2kum s VAL 29 Cb 0.01 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.86 2kum s VAL 29 CO -0.10 0.06 -0.06 -1.83 -0.31 0.00 0.00 175.10 172.87 2kum s GLU 30 N -2.54 0.69 -0.41 4.82 -1.05 -0.31 -4.91 118.70 114.99 2kum s GLU 30 Ca 0.28 -0.19 -0.17 0.00 -0.15 0.00 0.00 54.97 54.74 2kum s GLU 30 Cb -0.11 -0.68 0.02 0.00 -0.44 0.00 0.00 34.13 32.91 2kum s GLU 30 CO 0.21 0.05 0.45 -1.17 0.95 0.00 0.00 175.26 175.75 2kum s LEU 31 N 0.30 4.74 -0.54 1.83 2.96 -1.26 -0.86 118.68 125.85 2kum s LEU 31 Ca -0.04 -0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 53.07 2kum s LEU 31 Cb -0.08 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.22 2kum s LEU 31 CO -0.00 -0.56 1.03 -1.58 -1.32 0.00 0.00 176.35 173.92 2kum s GLN 32 N 2.20 3.45 0.70 1.98 -0.44 0.13 -4.97 119.66 122.70 2kum s GLN 32 Ca 0.13 0.02 -0.15 0.00 -2.50 0.00 0.00 55.36 52.86 2kum s GLN 32 Cb -0.17 -4.01 0.02 0.00 -1.64 0.00 0.00 33.01 27.21 2kum s GLN 32 CO 0.14 -1.50 1.18 -1.21 0.50 0.00 0.00 175.29 174.40 2kum s GLU 33 N 4.26 2.41 0.00 1.67 2.02 -1.26 -0.68 118.70 127.12 2kum s GLU 33 Ca 0.36 1.65 0.00 0.00 0.02 0.00 0.00 54.97 57.01 2kum s GLU 33 Cb -0.10 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2kum s GLU 33 CO 0.23 -1.61 0.51 0.00 0.02 0.00 0.00 175.26 174.42 2kum n ALA 34 N -2.53 2.27 0.00 5.21 0.00 -1.26 -2.76 120.51 121.46 2kum n ALA 34 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kum n ALA 34 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.20 0.00 -0.02 0.00 5.75 -0.76 -4.04 116.55 117.67 2kum n ASP 35 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.93 2kum n ASP 35 Cb 0.26 0.00 0.80 0.00 -1.03 0.00 0.00 41.12 41.15 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 -1.13 0.30 6.12 0.00 -1.11 -4.57 105.19 104.79 2kum n GLY 36 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kum n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kum n ASP 37 N -1.13 0.00 -4.33 1.61 2.03 -1.26 -4.90 116.55 108.57 2kum n ASP 37 Ca 0.17 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.31 2kum n ASP 37 Cb 0.21 0.07 -0.10 0.00 -0.72 0.00 0.00 41.12 40.58 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kum n HIS 39 N -0.36 0.00 -4.19 0.00 1.44 -1.26 -1.84 115.22 109.01 2kum n HIS 39 Ca -0.08 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.46 2kum n HIS 39 Cb 0.61 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.60 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 -1.50 2.37 -0.04 2.39 0.05 -1.26 -4.68 118.68 116.01 2kum s LEU 40 Ca 0.18 -0.76 -0.19 0.00 0.05 0.00 0.00 54.13 53.41 2kum s LEU 40 Cb 0.08 -0.43 -0.05 0.00 -2.05 0.00 0.00 46.19 43.74 2kum s LEU 40 CO 0.14 -0.18 0.53 -1.58 -0.55 0.00 0.00 176.35 174.71 2kum s GLN 41 N -2.48 4.26 0.01 1.48 0.74 -1.26 -3.98 119.66 118.42 2kum s GLN 41 Ca 0.05 0.59 -0.10 0.00 0.05 0.00 0.00 55.36 55.95 2kum s GLN 41 Cb -0.05 -3.35 0.01 0.00 1.10 0.00 0.00 33.01 30.71 2kum s GLN 41 CO 0.02 0.36 0.19 0.00 -0.55 0.00 0.00 175.29 175.31 2kum s ALA 42 N -0.10 -0.44 -0.46 1.58 0.00 0.14 -4.46 121.76 118.02 2kum s ALA 42 Ca 0.28 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 2kum s ALA 42 Cb -0.17 0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.20 2kum s ALA 42 CO 0.14 -0.26 0.32 -0.06 0.00 0.00 0.00 175.76 175.91 2kum s PHE 43 N -1.66 3.42 -0.13 0.00 0.08 0.13 0.19 117.98 120.01 2kum s PHE 43 Ca -0.12 -1.85 -0.14 0.00 0.12 0.00 0.00 56.93 54.94 2kum s PHE 43 Cb -0.05 -3.38 -0.05 0.00 -0.57 0.00 0.00 43.02 38.97 2kum s PHE 43 CO 0.01 -0.97 0.31 0.08 -0.10 0.00 0.00 175.22 174.56 2kum s VAL 44 N 1.36 5.27 -0.31 -0.44 1.01 -0.04 -2.25 120.40 125.00 2kum s VAL 44 Ca 0.05 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 2kum s VAL 44 Cb -0.25 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2kum s VAL 44 CO -0.00 0.42 0.52 -0.76 0.00 0.00 0.00 175.10 175.28 2kum s LEU 45 N 0.19 4.21 -0.42 3.92 1.43 0.48 -1.17 118.68 127.32 2kum s LEU 45 Ca 0.18 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 2kum s LEU 45 Cb -0.14 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.50 2kum s LEU 45 CO 0.06 -0.40 0.29 -2.28 0.23 0.00 0.00 176.35 174.24 2kum s HIS 46 N 2.38 3.26 0.45 0.29 2.46 -0.38 -1.56 115.29 122.18 2kum s HIS 46 Ca 0.20 -0.93 0.06 0.00 0.47 0.00 0.00 55.06 54.86 2kum s HIS 46 Cb -0.15 -2.73 0.02 0.00 -0.13 0.00 0.00 32.58 29.58 2kum s HIS 46 CO 0.12 -0.70 0.62 -0.51 -2.47 0.00 0.00 174.74 171.80 2kum s LEU 47 N 1.59 3.57 0.00 8.88 1.02 0.80 -2.58 118.68 131.96 2kum s LEU 47 Ca 0.03 -0.32 0.28 0.00 0.02 0.00 0.00 54.13 54.14 2kum s LEU 47 Cb -0.21 -2.71 1.67 0.00 0.02 0.00 0.00 46.19 44.96 2kum s LEU 47 CO 0.07 -0.85 2.04 0.00 0.02 0.00 0.00 176.35 177.63 2kum n ALA 48 N -1.97 2.60 -0.09 4.21 0.00 -1.26 -2.86 120.51 121.14 2kum n ALA 48 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kum n ALA 48 Cb 0.59 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.96 2.45 -3.64 0.00 3.00 -1.26 -5.12 117.38 111.85 2kum n GLN 49 Ca 0.21 -0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 57.14 2kum n GLN 49 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 30.24 30.03 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 -0.36 0.69 -0.04 -1.09 1.70 -1.14 -5.00 118.95 113.72 2kum s ARG 50 Ca 0.00 -0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 54.90 2kum s ARG 50 Cb 0.00 0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2kum s ARG 50 CO 0.00 -0.31 0.03 -1.12 -1.08 0.00 0.00 175.30 172.82 2kum s SER 51 N -2.75 0.86 -0.13 -2.89 0.01 -1.25 -0.14 113.70 107.40 2kum s SER 51 Ca 0.11 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.32 2kum s SER 51 Cb 0.01 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2kum s SER 51 CO -0.03 -0.18 0.10 -0.63 0.41 0.00 0.00 173.24 172.91 2kum s ILE 52 N 1.65 5.12 -0.15 1.44 1.09 -0.60 -4.45 121.20 125.30 2kum s ILE 52 Ca -0.01 0.07 -0.07 0.00 -1.10 0.00 0.00 60.65 59.53 2kum s ILE 52 Cb -0.13 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.99 2kum s ILE 52 CO -0.03 0.57 0.12 0.00 -0.10 0.00 0.00 174.94 175.49 2kum s ILE 54 N -0.49 0.66 0.22 0.00 1.01 -0.95 -1.74 121.20 119.91 2kum s ILE 54 Ca 0.12 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 2kum s ILE 54 Cb -0.12 -0.61 -0.09 0.00 0.01 0.00 0.00 42.46 41.65 2kum s ILE 54 CO 0.02 -0.02 1.30 -2.28 0.00 0.00 0.00 174.94 173.96 2kum s HIS 55 N -0.62 3.25 0.27 3.97 5.65 -1.26 0.20 115.29 126.75 2kum s HIS 55 Ca -0.01 1.26 -0.03 0.00 0.25 0.00 0.00 55.06 56.54 2kum s HIS 55 Cb -0.06 -3.59 0.56 0.00 -1.18 0.00 0.00 32.58 28.31 2kum s HIS 55 CO 0.00 -1.81 1.64 -1.35 -0.65 0.00 0.00 174.74 172.57 2kum h PRO 56 N 5.10 0.14 -5.14 2.88 0.11 -1.90 -1.83 132.00 131.36 2kum h PRO 56 Ca -0.45 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 64.94 2kum h PRO 56 Cb 1.22 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 2kum h PRO 56 CO 0.76 0.09 1.42 -0.65 -0.21 0.00 0.00 178.00 179.41 2kum s GLN 57 N -6.04 3.93 -0.04 1.05 -1.52 -1.26 -4.80 119.66 110.98 2kum s GLN 57 Ca -0.13 -2.17 0.02 0.00 -1.95 0.00 0.00 55.36 51.13 2kum s GLN 57 Cb 0.24 -5.15 0.01 0.00 -0.22 0.00 0.00 33.01 27.89 2kum s GLN 57 CO 0.76 -1.90 -0.08 1.21 -0.25 0.00 0.00 175.29 175.03 2kum s ASN 58 N 3.45 1.20 0.55 5.90 2.47 -0.69 -5.03 114.94 122.80 2kum s ASN 58 Ca 0.43 -0.19 0.26 0.00 0.42 0.00 0.00 52.86 53.79 2kum s ASN 58 Cb -0.02 -0.42 1.47 0.00 -1.45 0.00 0.00 41.25 40.84 2kum s ASN 58 CO -0.01 0.03 2.02 -0.65 -3.72 0.00 0.00 177.10 174.77 2kum h PRO 59 N 6.65 0.00 0.04 0.43 0.11 -1.88 -0.69 132.00 136.66 2kum h PRO 59 Ca -0.34 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.54 2kum h PRO 59 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kum h PRO 59 CO 0.48 0.00 -1.02 1.03 -0.21 0.00 0.00 178.00 178.29 2kum h SER 60 N 0.00 0.35 0.01 -2.05 0.87 -1.86 -3.32 113.55 107.55 2kum h SER 60 Ca 0.19 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2kum h SER 60 Cb 0.84 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2kum h SER 60 CO -0.00 1.17 -0.18 0.25 -0.53 0.00 0.00 176.83 177.54 2kum h LEU 61 N 0.12 0.13 -0.01 2.23 7.12 -1.47 0.05 115.31 123.48 2kum h LEU 61 Ca -0.08 -0.85 0.00 0.00 0.13 0.00 0.00 57.88 57.08 2kum h LEU 61 Cb 1.69 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.78 2kum h LEU 61 CO 0.16 0.97 -0.00 -1.28 -0.13 0.00 0.00 178.44 178.16 2kum h SER 62 N -0.69 -0.01 -0.09 1.25 0.87 -1.71 -0.38 113.55 112.79 2kum h SER 62 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2kum h SER 62 Cb 1.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2kum h SER 62 CO 0.03 -0.01 0.03 1.56 -0.53 0.00 0.00 176.83 177.92 2kum h GLN 63 N -0.01 0.19 -0.39 2.24 4.20 -1.66 -2.26 115.11 117.43 2kum h GLN 63 Ca 0.00 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 2kum h GLN 63 Cb 0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2kum h GLN 63 CO -0.01 0.19 -0.11 2.35 -0.67 0.00 0.00 178.83 180.58 2kum h TRP 64 N 0.19 0.76 -0.96 2.96 -0.00 0.60 0.31 115.95 119.81 2kum h TRP 64 Ca 0.05 -0.13 0.04 0.00 -0.00 0.00 0.00 58.89 58.85 2kum h TRP 64 Cb 0.09 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.16 28.99 2kum h TRP 64 CO 0.00 0.77 0.63 0.74 -0.00 0.00 0.00 178.44 180.58 2kum h PHE 65 N 0.63 1.17 -0.02 2.65 -1.00 -0.56 0.72 116.94 120.53 2kum h PHE 65 Ca 0.11 0.03 -0.25 0.00 2.81 0.00 0.00 57.97 60.67 2kum h PHE 65 Cb 0.56 -0.39 0.02 0.00 3.61 0.00 0.00 35.95 39.74 2kum h PHE 65 CO 0.03 0.66 -0.99 0.93 -1.61 0.00 0.00 178.31 177.33 2kum h GLU 66 N 1.20 0.67 -0.41 1.51 4.39 -1.31 -2.70 114.58 117.92 2kum h GLU 66 Ca 0.39 -0.69 -0.11 0.00 0.34 0.00 0.00 59.36 59.28 2kum h GLU 66 Cb 0.04 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2kum h GLU 66 CO -0.13 1.28 -0.19 0.45 -1.16 0.00 0.00 179.01 179.27 2kum h HIS 67 N 0.39 0.97 0.00 4.33 3.86 0.16 -2.65 115.15 122.22 2kum h HIS 67 Ca -0.11 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 58.81 2kum h HIS 67 Cb 1.64 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 2kum h HIS 67 CO 0.09 1.01 -0.22 -0.56 0.86 0.00 0.00 177.93 179.11 2kum h GLN 68 N 0.66 0.00 -0.33 2.45 3.07 0.36 -1.16 115.11 120.17 2kum h GLN 68 Ca 0.09 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.86 2kum h GLN 68 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.29 2kum h GLN 68 CO 0.06 0.22 0.22 1.49 0.09 0.00 0.00 178.83 180.91 2kum h GLU 69 N 0.00 0.34 -0.19 0.06 4.57 -1.12 -2.39 114.58 115.85 2kum h GLU 69 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2kum h GLU 69 Cb 0.60 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2kum h GLU 69 CO 0.03 0.22 0.00 2.89 -1.18 0.00 0.00 179.01 180.97 2kum n ARG 70 N -4.49 2.48 -1.80 1.92 1.85 -0.53 -4.65 116.66 111.45 2kum n ARG 70 Ca 0.03 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 54.12 2kum n ARG 70 Cb 0.14 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 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 -0.75 0.00 -2.93 2.89 5.02 -0.66 -4.96 118.16 116.76 2kum n LYS 71 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2kum n LYS 71 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.82 2kum n LYS 71 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kum n LEU 72 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -0.17 117.00 115.22 2kum n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kum n LEU 72 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kum n LEU 72 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 178.96 2kum n HIS 73 N -0.72 0.00 -2.53 1.47 -0.00 -1.26 -3.25 115.22 108.92 2kum n HIS 73 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2kum n HIS 73 Cb 0.00 -0.41 0.01 0.00 -0.12 0.00 0.00 29.99 29.48 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 -1.82 0.03 3.39 1.57 0.00 0.76 -5.01 105.19 104.10 2kum n GLY 74 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.77 3.73 0.04 2.61 -4.23 -1.20 -5.01 115.64 108.80 2kum s THR 75 Ca 0.11 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2kum s THR 75 Cb -0.05 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 2kum s THR 75 CO 0.14 0.42 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.87 2kum s LEU 76 N 1.26 2.27 0.35 4.79 1.43 -1.26 -4.96 118.68 122.57 2kum s LEU 76 Ca 0.03 -0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 52.16 2kum s LEU 76 Cb -0.15 0.23 -0.14 0.00 0.03 0.00 0.00 46.19 46.17 2kum s LEU 76 CO 0.00 -0.47 0.66 -2.65 0.23 0.00 0.00 176.35 174.12 2kum n PRO 77 N 0.80 0.67 -2.68 1.29 -0.02 -1.26 -4.90 135.00 128.90 2kum n PRO 77 Ca -0.19 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 2kum n PRO 77 Cb 0.58 -1.50 -0.03 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 -1.47 3.60 0.00 -0.52 1.02 -1.26 -4.63 119.74 116.48 2kum s LYS 78 Ca 0.62 -1.35 0.21 0.00 0.02 0.00 0.00 55.97 55.47 2kum s LYS 78 Cb -0.68 -5.21 0.34 0.00 -0.52 0.00 0.00 37.83 31.75 2kum s LYS 78 CO 0.58 -2.06 1.13 1.47 -0.92 0.00 0.00 175.35 175.55 2kum n LEU 79 N 8.10 0.66 -3.42 3.17 -0.00 -1.26 -5.03 117.00 119.22 2kum n LEU 79 Ca 0.30 -1.93 -0.13 0.00 -0.00 0.00 0.00 56.01 54.25 2kum n LEU 79 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2kum n LEU 79 CO 0.61 0.62 0.04 -0.46 -0.00 0.00 0.00 177.39 178.20 2kum n ASN 80 N 0.40 -6.33 -0.59 1.45 6.94 -1.26 -4.85 115.26 111.01 2kum n ASN 80 Ca 0.01 -0.49 0.03 0.00 -0.02 0.00 0.00 54.58 54.11 2kum n ASN 80 Cb 1.06 -3.48 0.10 0.00 -2.36 0.00 0.00 39.78 35.11 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 -2.10 0.41 1.39 -2.53 1.16 -1.26 -3.29 117.46 111.24 2kum n PHE 81 Ca -0.15 -0.17 0.14 0.00 -1.87 0.00 0.00 57.45 55.40 2kum n PHE 81 Cb 0.60 -0.08 0.74 0.00 -1.61 0.00 0.00 39.48 39.13 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 0.61 -1.25 0.00 4.97 0.00 -1.26 -3.43 105.19 104.83 2kum n GLY 82 Ca 0.08 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.28 0.14 -0.39 1.61 0.00 -1.21 -3.04 117.12 112.95 2kum n MET 83 Ca 0.14 0.12 0.07 0.00 0.00 0.00 0.00 57.70 58.03 2kum n MET 83 Cb 0.23 -1.50 0.14 0.00 0.00 0.00 0.00 33.22 32.09 2kum n MET 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kum n LEU 84 N -1.40 2.14 -4.07 3.17 4.77 -1.22 -4.64 117.00 115.75 2kum n LEU 84 Ca 0.07 -3.08 -0.43 0.00 -0.03 0.00 0.00 56.01 52.55 2kum n LEU 84 Cb 0.20 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2kum n LEU 84 CO 0.18 0.88 1.98 0.54 -1.33 0.00 0.00 177.39 179.64 2kum n ARG 85 N -1.06 3.35 -1.29 3.23 5.12 -1.17 -4.21 116.66 120.64 2kum n ARG 85 Ca 0.15 -3.38 -0.10 0.00 -1.93 0.00 0.00 57.85 52.59 2kum n ARG 85 Cb 0.70 -3.10 -0.04 0.00 -1.16 0.00 0.00 32.46 28.85 2kum n ARG 85 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2kum n LYS 86 N 5.34 -0.89 0.00 5.56 4.81 -1.26 -4.83 118.16 126.88 2kum n LYS 86 Ca 0.43 0.81 0.09 0.00 -0.87 0.00 0.00 58.31 58.78 2kum n LYS 86 Cb 0.40 -4.80 0.43 0.00 0.02 0.00 0.00 35.03 31.07 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 -2.31 0.04 0.00 1.64 2.81 -1.26 -5.18 117.12 112.87 2kum n MET 87 Ca -0.10 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2kum n MET 87 Cb 0.38 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89