#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx5 n ARG 2 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.99 116.66 110.41 1kx5 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1kx5 n ARG 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1kx5 n ARG 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1kx5 n THR 3 N 0.00 0.00 0.00 8.89 5.66 -1.26 -5.12 114.28 122.45 1kx5 n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kx5 n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kx5 n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1kx5 n LYS 4 N 0.00 3.32 0.00 1.09 5.02 -1.26 -3.47 118.16 122.85 1kx5 n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1kx5 n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1kx5 n LYS 4 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1kx5 n GLN 5 N 0.00 0.00 0.00 1.97 1.13 -1.26 -3.30 117.38 115.92 1kx5 n GLN 5 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1kx5 n GLN 5 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1kx5 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1kx5 n THR 6 N 0.00 0.00 -1.10 5.09 -1.04 -1.26 -4.82 114.28 111.15 1kx5 n THR 6 Ca 0.00 0.11 -0.08 0.00 -2.04 0.00 0.00 64.05 62.04 1kx5 n THR 6 Cb 0.00 -0.41 -0.04 0.00 -1.82 0.00 0.00 70.33 68.07 1kx5 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kx5 n ALA 7 N -0.92 -0.12 -0.89 2.41 0.00 -1.21 -4.72 120.51 115.07 1kx5 n ALA 7 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1kx5 n ALA 7 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1kx5 n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1kx5 n ARG 8 N -0.84 1.79 0.00 0.00 0.63 -1.26 -4.91 116.66 112.07 1kx5 n ARG 8 Ca -0.08 -1.59 0.00 0.00 -0.92 0.00 0.00 57.85 55.26 1kx5 n ARG 8 Cb 0.41 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.69 1kx5 n ARG 8 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1kx5 n LYS 9 N 5.37 0.00 0.00 -0.14 4.01 -1.26 -4.63 118.16 121.52 1kx5 n LYS 9 Ca 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.25 1kx5 n LYS 9 Cb 0.24 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.76 1kx5 n LYS 9 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1kx5 n SER 10 N -2.40 1.06 -0.24 4.39 7.64 -1.26 -5.12 113.62 117.69 1kx5 n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1kx5 n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1kx5 n SER 10 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1kx5 n THR 11 N -2.75 0.00 -0.39 0.44 5.66 -1.26 -5.14 114.28 110.84 1kx5 n THR 11 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kx5 n THR 11 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1kx5 n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1kx5 n GLY 12 N 0.71 -1.74 0.96 1.09 0.00 -1.26 -4.94 105.19 100.02 1kx5 n GLY 12 Ca 0.00 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1kx5 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx5 n GLY 13 N 1.10 1.02 3.74 -0.02 0.00 -1.26 -4.96 105.19 104.82 1kx5 n GLY 13 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1kx5 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kx5 s LYS 14 N -1.96 4.13 -0.13 1.61 -0.14 -1.26 -4.71 119.74 117.27 1kx5 s LYS 14 Ca 0.28 2.56 -0.16 0.00 -1.36 0.00 0.00 55.97 57.30 1kx5 s LYS 14 Cb 0.20 -3.04 -0.25 0.00 -1.68 0.00 0.00 37.83 33.06 1kx5 s LYS 14 CO 0.30 -0.64 0.44 0.00 -0.76 0.00 0.00 175.35 174.69 1kx5 h ALA 15 N 5.25 0.24 -1.28 5.17 0.00 -1.88 -3.36 119.26 123.41 1kx5 h ALA 15 Ca -0.46 -1.16 0.37 0.00 0.00 0.00 0.00 54.91 53.66 1kx5 h ALA 15 Cb 1.22 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 1kx5 h ALA 15 CO 0.82 0.87 0.90 -1.35 0.00 0.00 0.00 179.25 180.49 1kx5 h PRO 16 N -0.42 0.08 0.00 0.00 0.11 -1.88 -3.47 132.00 126.42 1kx5 h PRO 16 Ca -0.33 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.81 1kx5 h PRO 16 Cb 1.68 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.76 1kx5 h PRO 16 CO -0.00 0.05 -0.05 0.54 -0.21 0.00 0.00 178.00 178.33 1kx5 n ARG 17 N -4.28 -0.25 -0.41 1.05 5.12 -1.26 -4.47 116.66 112.17 1kx5 n ARG 17 Ca 0.29 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 56.29 1kx5 n ARG 17 Cb 1.30 -0.31 -0.04 0.00 -1.16 0.00 0.00 32.46 32.25 1kx5 n ARG 17 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1kx5 n LYS 18 N -1.24 0.98 0.00 5.56 0.00 -1.26 -4.49 118.16 117.71 1kx5 n LYS 18 Ca 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 58.31 57.62 1kx5 n LYS 18 Cb 0.06 -1.95 0.00 0.00 -0.00 0.00 0.00 35.03 33.14 1kx5 n LYS 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1kx5 n GLN 19 N 3.57 0.00 -0.89 -1.58 7.27 -1.26 -5.16 117.38 119.32 1kx5 n GLN 19 Ca 0.21 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.39 1kx5 n GLN 19 Cb 0.22 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.84 1kx5 n GLN 19 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1kx5 n LEU 20 N 0.00 -0.43 -1.72 1.69 4.32 -1.26 -5.01 117.00 114.60 1kx5 n LEU 20 Ca 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1kx5 n LEU 20 Cb 0.00 -2.89 0.00 0.00 -1.62 0.00 0.00 43.42 38.91 1kx5 n LEU 20 CO 0.00 -1.96 -0.46 0.00 -1.22 0.00 0.00 177.39 173.75 1kx5 n ALA 21 N -1.98 -2.03 -2.95 -1.18 0.00 -1.26 -4.69 120.51 106.41 1kx5 n ALA 21 Ca -0.01 0.46 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1kx5 n ALA 21 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1kx5 n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kx5 n THR 22 N -0.06 -0.26 -2.36 0.00 -2.24 -1.26 -4.67 114.28 103.42 1kx5 n THR 22 Ca 0.00 -2.74 -0.26 0.00 -2.27 0.00 0.00 64.05 58.78 1kx5 n THR 22 Cb 0.00 0.09 0.14 0.00 -2.10 0.00 0.00 70.33 68.45 1kx5 n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kx5 s LYS 23 N -0.39 1.27 -0.36 -0.78 1.02 -1.26 -4.98 119.74 114.27 1kx5 s LYS 23 Ca 0.33 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1kx5 s LYS 23 Cb 0.23 -2.16 0.36 0.00 -0.52 0.00 0.00 37.83 35.75 1kx5 s LYS 23 CO -0.15 -1.82 1.80 0.00 -0.92 0.00 0.00 175.35 174.26 1kx5 n ALA 24 N -3.18 4.99 -1.91 5.17 0.00 -1.26 -4.82 120.51 119.50 1kx5 n ALA 24 Ca 0.15 -2.05 -0.32 0.00 0.00 0.00 0.00 53.44 51.23 1kx5 n ALA 24 Cb 0.60 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1kx5 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kx5 s ALA 25 N -2.29 3.12 0.42 0.00 0.00 -1.26 -4.96 121.76 116.80 1kx5 s ALA 25 Ca 0.39 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1kx5 s ALA 25 Cb 0.32 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1kx5 s ALA 25 CO 0.03 -0.07 0.00 2.89 0.00 0.00 0.00 175.76 178.61 1kx5 n ARG 26 N -1.23 0.00 -2.65 0.00 1.85 -1.26 -3.80 116.66 109.57 1kx5 n ARG 26 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.88 1kx5 n ARG 26 Cb 0.54 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.96 1kx5 n ARG 26 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1kx5 n LYS 27 N -3.48 0.05 0.00 2.89 0.00 -1.26 -4.88 118.16 111.48 1kx5 n LYS 27 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 58.31 57.76 1kx5 n LYS 27 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.02 1kx5 n LYS 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1kx5 n SER 28 N -0.22 0.00 -3.27 3.14 3.41 -1.26 -5.10 113.62 110.31 1kx5 n SER 28 Ca -0.24 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.16 1kx5 n SER 28 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1kx5 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx5 s ALA 29 N -1.78 0.20 -0.96 7.33 0.00 -1.26 -4.97 121.76 120.34 1kx5 s ALA 29 Ca 0.00 -1.62 0.09 0.00 0.00 0.00 0.00 51.96 50.43 1kx5 s ALA 29 Cb 0.00 -1.93 0.39 0.00 0.00 0.00 0.00 23.12 21.59 1kx5 s ALA 29 CO 0.00 -2.08 1.29 -0.35 0.00 0.00 0.00 175.76 174.61 1kx5 n PRO 30 N 3.36 0.01 0.00 0.00 -0.04 -1.26 -4.60 135.00 132.47 1kx5 n PRO 30 Ca 0.21 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1kx5 n PRO 30 Cb 0.48 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1kx5 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kx5 n ALA 31 N -1.52 0.00 -3.33 0.55 0.00 -1.26 -5.03 120.51 109.91 1kx5 n ALA 31 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1kx5 n ALA 31 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1kx5 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kx5 s THR 32 N 1.36 -0.48 0.00 0.00 -4.23 -1.26 -5.04 115.64 105.98 1kx5 s THR 32 Ca 0.00 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1kx5 s THR 32 Cb 0.00 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1kx5 s THR 32 CO 0.00 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1kx5 n GLY 33 N 4.60 -2.07 0.00 3.99 0.00 -1.26 -5.17 105.19 105.28 1kx5 n GLY 33 Ca 0.08 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1kx5 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx5 n GLY 34 N 0.00 2.39 0.00 -0.02 0.00 -1.26 -5.10 105.19 101.20 1kx5 n GLY 34 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1kx5 n GLY 34 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1kx5 n VAL 35 N 0.00 0.00 -0.86 1.61 3.14 -1.26 -4.95 118.33 116.01 1kx5 n VAL 35 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kx5 n VAL 35 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1kx5 n VAL 35 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1kx5 n LYS 36 N -0.82 0.00 -2.46 1.45 3.00 -1.26 -4.78 118.16 113.29 1kx5 n LYS 36 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1kx5 n LYS 36 Cb 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 35.03 34.04 1kx5 n LYS 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1kx5 n LYS 37 N -0.59 -1.49 -0.90 1.64 4.76 -1.26 -5.01 118.16 115.30 1kx5 n LYS 37 Ca 0.00 1.53 -0.29 0.00 -2.87 0.00 0.00 58.31 56.68 1kx5 n LYS 37 Cb 0.24 -4.40 0.23 0.00 -1.84 0.00 0.00 35.03 29.27 1kx5 n LYS 37 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1kx5 s PRO 38 N -2.30 -1.05 0.10 1.97 0.02 -1.26 -4.96 135.00 127.51 1kx5 s PRO 38 Ca 0.14 0.26 -0.27 0.00 0.02 0.00 0.00 61.00 61.14 1kx5 s PRO 38 Cb -0.04 -1.59 -0.06 0.00 0.02 0.00 0.00 34.50 32.83 1kx5 s PRO 38 CO 0.53 -3.67 0.84 -1.58 -0.33 0.00 0.00 177.00 172.79 1kx5 s HIS 39 N -2.79 3.80 -0.06 6.54 2.46 -1.26 -5.05 115.29 118.94 1kx5 s HIS 39 Ca 0.69 1.63 -0.02 0.00 0.47 0.00 0.00 55.06 57.83 1kx5 s HIS 39 Cb -0.15 -2.90 0.04 0.00 -0.13 0.00 0.00 32.58 29.44 1kx5 s HIS 39 CO 0.58 0.30 0.12 1.03 -2.47 0.00 0.00 174.74 174.30 1kx5 s ARG 40 N -0.28 0.06 0.44 2.88 0.52 -1.26 -5.14 118.95 116.16 1kx5 s ARG 40 Ca 0.41 0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 55.76 1kx5 s ARG 40 Cb -0.22 -0.20 -0.10 0.00 0.52 0.00 0.00 34.95 34.95 1kx5 s ARG 40 CO 0.26 -0.17 0.93 0.71 0.02 0.00 0.00 175.30 177.05 1kx5 s TYR 41 N 1.20 3.35 0.66 -0.53 1.51 -1.26 -5.03 117.35 117.25 1kx5 s TYR 41 Ca -0.09 1.52 -0.14 0.00 -1.01 0.00 0.00 57.07 57.35 1kx5 s TYR 41 Cb -0.12 -2.79 -0.00 0.00 -0.11 0.00 0.00 41.96 38.94 1kx5 s TYR 41 CO -0.05 -0.15 1.09 1.03 -1.11 0.00 0.00 175.55 176.36 1kx5 s ARG 42 N -3.39 2.90 0.13 -0.62 1.81 -1.26 -4.93 118.95 113.59 1kx5 s ARG 42 Ca 0.60 1.26 -0.31 0.00 -1.72 0.00 0.00 55.73 55.56 1kx5 s ARG 42 Cb -0.09 -1.97 -0.10 0.00 -0.45 0.00 0.00 34.95 32.33 1kx5 s ARG 42 CO 0.18 -1.15 1.79 -2.14 -0.68 0.00 0.00 175.30 173.30 1kx5 s PRO 43 N -4.30 4.14 0.00 3.54 0.02 -1.26 -1.67 135.00 135.47 1kx5 s PRO 43 Ca 0.64 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1kx5 s PRO 43 Cb -0.18 -3.50 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1kx5 s PRO 43 CO 0.43 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1kx5 n GLY 44 N 4.16 1.76 0.24 0.52 0.00 -1.26 -4.92 105.19 105.70 1kx5 n GLY 44 Ca 0.17 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1kx5 n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kx5 h THR 45 N 0.00 1.26 0.03 2.61 2.02 -1.68 -1.29 112.91 115.86 1kx5 h THR 45 Ca 0.00 -0.99 -0.21 0.00 0.77 0.00 0.00 66.41 65.98 1kx5 h THR 45 Cb 0.00 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1kx5 h THR 45 CO 0.00 0.35 -0.96 0.58 0.37 0.00 0.00 175.52 175.85 1kx5 h VAL 46 N 0.65 1.55 -0.21 3.16 2.07 -1.92 -2.36 116.25 119.19 1kx5 h VAL 46 Ca 0.14 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.77 1kx5 h VAL 46 Cb 0.45 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1kx5 h VAL 46 CO 0.02 0.84 0.13 0.00 0.02 0.00 0.00 177.57 178.58 1kx5 h ALA 47 N 0.93 0.27 -0.66 1.67 0.00 -1.89 -0.18 119.26 119.40 1kx5 h ALA 47 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kx5 h ALA 47 Cb 1.64 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1kx5 h ALA 47 CO 0.14 -0.25 0.40 -0.07 0.00 0.00 0.00 179.25 179.47 1kx5 h LEU 48 N 0.27 0.78 -0.52 0.00 4.07 -1.20 -0.25 115.31 118.45 1kx5 h LEU 48 Ca 0.08 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1kx5 h LEU 48 Cb -0.01 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1kx5 h LEU 48 CO -0.02 0.60 0.09 -0.09 -1.08 0.00 0.00 178.44 177.94 1kx5 h ARG 49 N 0.90 0.86 -0.46 1.13 2.43 -0.90 -2.13 114.38 116.21 1kx5 h ARG 49 Ca 0.24 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1kx5 h ARG 49 Cb -0.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1kx5 h ARG 49 CO -0.04 0.84 0.12 0.93 -1.51 0.00 0.00 179.97 180.31 1kx5 h GLU 50 N 0.74 0.73 -0.36 0.20 5.08 -0.13 -0.61 114.58 120.22 1kx5 h GLU 50 Ca 0.16 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1kx5 h GLU 50 Cb 0.40 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1kx5 h GLU 50 CO 0.01 0.72 -0.00 0.82 -1.00 0.00 0.00 179.01 179.56 1kx5 h ILE 51 N 0.62 0.72 -0.78 3.13 2.04 -0.98 0.76 117.51 123.03 1kx5 h ILE 51 Ca 0.15 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1kx5 h ILE 51 Cb 0.31 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1kx5 h ILE 51 CO 0.00 0.02 0.36 0.03 0.00 0.00 0.00 178.15 178.56 1kx5 h ARG 52 N 0.10 1.14 -0.11 2.37 3.08 -1.14 -0.85 114.38 118.96 1kx5 h ARG 52 Ca 0.18 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1kx5 h ARG 52 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1kx5 h ARG 52 CO -0.30 0.90 0.06 -0.09 -1.07 0.00 0.00 179.97 179.46 1kx5 h ARG 53 N 1.11 0.16 0.00 0.04 2.43 -0.45 -2.85 114.38 114.82 1kx5 h ARG 53 Ca 0.27 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1kx5 h ARG 53 Cb 0.15 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1kx5 h ARG 53 CO -0.03 0.21 -0.38 1.88 -1.51 0.00 0.00 179.97 180.14 1kx5 h TYR 54 N 0.06 0.00 0.00 2.20 -1.99 -0.73 -2.72 116.97 113.79 1kx5 h TYR 54 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1kx5 h TYR 54 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1kx5 h TYR 54 CO -0.04 0.38 0.00 1.04 -0.00 0.00 0.00 178.16 179.55 1kx5 n GLN 55 N -3.43 0.19 0.04 4.88 6.02 -0.34 -3.01 117.38 121.73 1kx5 n GLN 55 Ca 0.00 0.19 0.04 0.00 -0.01 0.00 0.00 57.00 57.23 1kx5 n GLN 55 Cb 0.55 -1.74 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 1kx5 n GLN 55 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1kx5 n LYS 56 N -2.07 0.62 -3.22 -1.09 4.81 -1.04 -4.95 118.16 111.22 1kx5 n LYS 56 Ca 0.05 0.13 -0.18 0.00 -0.87 0.00 0.00 58.31 57.45 1kx5 n LYS 56 Cb 0.38 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1kx5 n LYS 56 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1kx5 s SER 57 N -5.49 5.67 0.00 3.14 1.04 -1.13 -5.05 113.70 111.88 1kx5 s SER 57 Ca -0.03 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1kx5 s SER 57 Cb 0.09 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1kx5 s SER 57 CO 0.82 -0.65 0.42 0.35 0.98 0.00 0.00 173.24 175.16 1kx5 n THR 58 N -1.74 0.04 -1.90 2.02 -2.24 -1.26 -4.94 114.28 104.25 1kx5 n THR 58 Ca 0.05 -0.41 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 1kx5 n THR 58 Cb 0.59 1.19 0.03 0.00 -2.10 0.00 0.00 70.33 70.04 1kx5 n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1kx5 s GLU 59 N -0.04 3.28 0.46 -0.78 1.03 -1.26 -4.94 118.70 116.45 1kx5 s GLU 59 Ca 0.00 2.12 -0.24 0.00 0.03 0.00 0.00 54.97 56.87 1kx5 s GLU 59 Cb 0.00 -2.28 -0.07 0.00 -0.80 0.00 0.00 34.13 30.97 1kx5 s GLU 59 CO 0.00 -1.04 1.36 -0.51 -1.33 0.00 0.00 175.26 173.74 1kx5 s LEU 60 N -3.42 4.07 -0.01 1.83 1.43 -1.26 -4.94 118.68 116.38 1kx5 s LEU 60 Ca 0.70 2.78 0.20 0.00 -1.03 0.00 0.00 54.13 56.77 1kx5 s LEU 60 Cb -0.37 -4.03 -0.25 0.00 0.03 0.00 0.00 46.19 41.56 1kx5 s LEU 60 CO 0.44 -1.18 0.66 0.18 0.23 0.00 0.00 176.35 176.69 1kx5 n LEU 61 N -0.34 0.53 -4.88 1.79 4.77 -1.26 -4.93 117.00 112.68 1kx5 n LEU 61 Ca 0.06 -0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 1kx5 n LEU 61 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1kx5 n LEU 61 CO 0.56 0.13 -0.03 -0.63 -1.33 0.00 0.00 177.39 176.10 1kx5 s ILE 62 N -3.07 5.25 0.32 -0.08 1.01 -1.26 -5.06 121.20 118.31 1kx5 s ILE 62 Ca 0.01 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1kx5 s ILE 62 Cb 0.14 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 1kx5 s ILE 62 CO 0.81 0.34 1.26 -0.13 0.00 0.00 0.00 174.94 177.22 1kx5 s ARG 63 N -1.81 4.42 0.10 2.79 0.52 -1.26 -4.96 118.95 118.75 1kx5 s ARG 63 Ca 0.29 2.12 -0.30 0.00 -0.52 0.00 0.00 55.73 57.32 1kx5 s ARG 63 Cb -0.13 -3.10 -0.13 0.00 0.52 0.00 0.00 34.95 32.11 1kx5 s ARG 63 CO 0.17 -0.10 1.62 -0.22 0.02 0.00 0.00 175.30 176.79 1kx5 h LYS 64 N 3.53 -0.65 -0.33 3.54 3.64 -1.97 -2.52 116.57 121.81 1kx5 h LYS 64 Ca -0.48 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1kx5 h LYS 64 Cb 1.22 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1kx5 h LYS 64 CO 0.66 -0.43 0.18 1.25 -2.27 0.00 0.00 179.45 178.84 1kx5 h LEU 65 N -0.67 0.42 -1.57 5.20 5.85 -1.99 0.86 115.31 123.41 1kx5 h LEU 65 Ca -0.02 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1kx5 h LEU 65 Cb 0.61 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1kx5 h LEU 65 CO -0.07 0.40 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.77 1kx5 h PRO 66 N 0.41 0.26 -0.13 5.25 0.11 -1.97 -1.01 132.00 134.93 1kx5 h PRO 66 Ca 0.12 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1kx5 h PRO 66 Cb 0.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1kx5 h PRO 66 CO -0.02 0.30 -0.24 0.35 -0.21 0.00 0.00 178.00 178.18 1kx5 h PHE 67 N 0.26 0.48 -0.84 0.65 3.57 -0.98 -2.52 116.94 117.55 1kx5 h PHE 67 Ca 0.06 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.45 1kx5 h PHE 67 Cb 0.20 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1kx5 h PHE 67 CO 0.00 0.85 0.52 0.37 -2.23 0.00 0.00 178.31 177.82 1kx5 h GLN 68 N -0.03 0.92 -0.60 1.11 4.15 -0.45 -1.31 115.11 118.90 1kx5 h GLN 68 Ca 0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1kx5 h GLN 68 Cb 0.82 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1kx5 h GLN 68 CO 0.05 0.61 0.35 0.00 -1.93 0.00 0.00 178.83 177.90 1kx5 h ARG 69 N 0.94 0.83 -0.10 1.69 3.08 -1.13 -1.60 114.38 118.10 1kx5 h ARG 69 Ca 0.37 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.34 1kx5 h ARG 69 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1kx5 h ARG 69 CO -0.18 0.62 0.05 1.25 -1.07 0.00 0.00 179.97 180.63 1kx5 h LEU 70 N 0.82 0.07 -0.17 3.04 5.85 -0.93 -1.20 115.31 122.79 1kx5 h LEU 70 Ca 0.21 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1kx5 h LEU 70 Cb 0.01 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1kx5 h LEU 70 CO -0.04 0.05 -0.09 0.58 -0.34 0.00 0.00 178.44 178.60 1kx5 h VAL 71 N 0.10 0.71 -0.90 1.05 2.07 -1.02 -1.10 116.25 117.16 1kx5 h VAL 71 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1kx5 h VAL 71 Cb 0.01 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1kx5 h VAL 71 CO -0.03 0.00 0.57 0.03 0.02 0.00 0.00 177.57 178.16 1kx5 h ARG 72 N -0.08 1.20 -0.22 1.57 3.08 -1.16 -0.68 114.38 118.09 1kx5 h ARG 72 Ca 0.10 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1kx5 h ARG 72 Cb 0.22 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1kx5 h ARG 72 CO -0.22 0.82 0.11 1.49 -1.07 0.00 0.00 179.97 181.10 1kx5 h GLU 73 N 1.23 0.31 -0.32 0.04 4.81 -0.86 -1.03 114.58 118.76 1kx5 h GLU 73 Ca 0.33 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1kx5 h GLU 73 Cb -0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1kx5 h GLU 73 CO -0.07 0.31 0.16 0.82 -0.73 0.00 0.00 179.01 179.50 1kx5 h ILE 74 N 0.23 1.15 -0.50 2.32 2.04 -0.84 -2.88 117.51 119.02 1kx5 h ILE 74 Ca 0.08 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1kx5 h ILE 74 Cb 0.09 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1kx5 h ILE 74 CO -0.01 0.15 0.23 0.00 0.00 0.00 0.00 178.15 178.53 1kx5 h ALA 75 N 1.03 1.47 0.00 1.87 0.00 -0.97 -2.02 119.26 120.63 1kx5 h ALA 75 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kx5 h ALA 75 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1kx5 h ALA 75 CO -0.02 0.42 -0.01 0.37 0.00 0.00 0.00 179.25 180.01 1kx5 h GLN 76 N 0.70 0.00 0.00 0.00 5.75 -0.96 0.66 115.11 121.27 1kx5 h GLN 76 Ca 0.18 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1kx5 h GLN 76 Cb 0.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1kx5 h GLN 76 CO -0.02 0.01 -0.24 -0.44 -2.65 0.00 0.00 178.83 175.49 1kx5 h ASP 77 N 0.00 0.00 0.01 -0.69 3.45 -1.37 -3.28 116.42 114.54 1kx5 h ASP 77 Ca -0.00 0.00 -0.37 0.00 0.43 0.00 0.00 57.03 57.09 1kx5 h ASP 77 Cb 0.04 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.74 1kx5 h ASP 77 CO 0.00 0.24 -2.40 0.49 -1.57 0.00 0.00 179.24 176.00 1kx5 n PHE 78 N -3.32 0.03 -3.65 4.55 0.99 0.10 -4.96 117.46 111.20 1kx5 n PHE 78 Ca 0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 57.45 57.43 1kx5 n PHE 78 Cb 0.48 -1.01 -0.06 0.00 -1.00 0.00 0.00 39.48 37.90 1kx5 n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1kx5 s LYS 79 N -2.50 0.59 0.66 -1.08 2.20 -0.46 -5.15 119.74 114.00 1kx5 s LYS 79 Ca -0.17 1.31 -0.11 0.00 -0.36 0.00 0.00 55.97 56.63 1kx5 s LYS 79 Cb 0.07 0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 36.90 1kx5 s LYS 79 CO 0.76 -0.18 1.06 0.95 -0.36 0.00 0.00 175.35 177.58 1kx5 s THR 80 N 2.35 4.17 -1.70 3.43 -4.23 -1.25 -4.04 115.64 114.37 1kx5 s THR 80 Ca -0.07 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1kx5 s THR 80 Cb -0.09 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1kx5 s THR 80 CO -0.18 -0.92 0.00 -0.67 -0.54 0.00 0.00 174.62 172.30 1kx5 n ASP 81 N -2.86 -5.29 -4.85 3.99 2.03 -1.26 -4.98 116.55 103.32 1kx5 n ASP 81 Ca 0.06 0.15 -0.32 0.00 0.52 0.00 0.00 54.79 55.21 1kx5 n ASP 81 Cb 0.55 -4.37 -0.03 0.00 -0.72 0.00 0.00 41.12 36.56 1kx5 n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1kx5 s LEU 82 N -4.89 3.62 0.32 -2.67 1.43 -1.26 -5.07 118.68 110.16 1kx5 s LEU 82 Ca 0.00 1.49 0.09 0.00 -1.03 0.00 0.00 54.13 54.67 1kx5 s LEU 82 Cb 0.00 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1kx5 s LEU 82 CO 0.00 -0.59 0.09 -0.13 0.23 0.00 0.00 176.35 175.95 1kx5 s ARG 83 N -4.15 2.32 -0.02 1.70 0.52 -1.26 -5.10 118.95 112.96 1kx5 s ARG 83 Ca 0.57 -1.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.27 1kx5 s ARG 83 Cb -0.10 -2.14 -0.00 0.00 0.52 0.00 0.00 34.95 33.23 1kx5 s ARG 83 CO 0.34 0.18 -0.09 -0.06 0.02 0.00 0.00 175.30 175.68 1kx5 s PHE 84 N -2.41 0.94 0.48 -0.53 0.40 -1.26 -5.13 117.98 110.46 1kx5 s PHE 84 Ca 0.36 -0.22 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 1kx5 s PHE 84 Cb -0.03 -0.65 -0.07 0.00 0.51 0.00 0.00 43.02 42.78 1kx5 s PHE 84 CO 0.21 -0.07 1.15 -0.65 0.70 0.00 0.00 175.22 176.56 1kx5 s GLN 85 N 0.06 3.69 0.27 0.44 -0.21 -1.26 -4.91 119.66 117.74 1kx5 s GLN 85 Ca -0.01 1.72 -0.02 0.00 0.02 0.00 0.00 55.36 57.07 1kx5 s GLN 85 Cb -0.07 -2.32 0.42 0.00 1.00 0.00 0.00 33.01 32.04 1kx5 s GLN 85 CO 0.00 -0.60 1.89 0.66 -2.12 0.00 0.00 175.29 175.13 1kx5 h SER 86 N 1.88 1.03 0.76 5.90 4.64 -2.01 -1.19 113.55 124.55 1kx5 h SER 86 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1kx5 h SER 86 Cb 1.25 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1kx5 h SER 86 CO 0.60 0.66 0.00 0.77 -0.87 0.00 0.00 176.83 177.99 1kx5 h SER 87 N 1.17 0.00 -0.10 4.97 4.64 -1.99 -1.99 113.55 120.24 1kx5 h SER 87 Ca 0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 1kx5 h SER 87 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1kx5 h SER 87 CO -0.16 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.53 1kx5 h ALA 88 N 2.17 0.17 -0.62 5.18 0.00 -1.58 -0.29 119.26 124.28 1kx5 h ALA 88 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1kx5 h ALA 88 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1kx5 h ALA 88 CO 0.00 0.17 0.03 0.28 0.00 0.00 0.00 179.25 179.73 1kx5 h VAL 89 N -0.08 1.26 -0.42 0.00 2.07 -1.35 -1.97 116.25 115.77 1kx5 h VAL 89 Ca -0.00 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 1kx5 h VAL 89 Cb 0.88 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1kx5 h VAL 89 CO 0.06 0.41 -0.17 0.24 0.02 0.00 0.00 177.57 178.13 1kx5 h MET 90 N 0.99 0.80 -0.61 1.57 2.86 -1.33 -0.91 114.93 118.30 1kx5 h MET 90 Ca 0.18 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1kx5 h MET 90 Cb 0.53 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1kx5 h MET 90 CO 0.03 0.91 0.25 0.00 1.06 0.00 0.00 176.91 179.15 1kx5 h ALA 91 N 1.10 0.79 -0.54 6.32 0.00 -0.86 0.75 119.26 126.82 1kx5 h ALA 91 Ca 0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1kx5 h ALA 91 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1kx5 h ALA 91 CO 0.05 0.40 0.05 -0.07 0.00 0.00 0.00 179.25 179.68 1kx5 h LEU 92 N 0.84 0.85 -0.26 0.00 3.38 -1.11 -1.17 115.31 117.84 1kx5 h LEU 92 Ca 0.20 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1kx5 h LEU 92 Cb 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1kx5 h LEU 92 CO -0.02 0.88 -0.66 -0.61 0.09 0.00 0.00 178.44 178.13 1kx5 h GLN 93 N 0.83 0.80 -0.42 1.13 4.15 -0.69 -0.05 115.11 120.87 1kx5 h GLN 93 Ca 0.17 -0.58 -0.01 0.00 0.77 0.00 0.00 58.65 59.00 1kx5 h GLN 93 Cb 0.43 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1kx5 h GLN 93 CO 0.01 1.20 0.22 0.93 -1.93 0.00 0.00 178.83 179.26 1kx5 h GLU 94 N 0.59 0.59 -0.57 1.69 4.39 -0.73 -0.35 114.58 120.20 1kx5 h GLU 94 Ca -0.02 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1kx5 h GLU 94 Cb 1.27 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1kx5 h GLU 94 CO 0.14 0.49 -0.06 0.00 -1.16 0.00 0.00 179.01 178.42 1kx5 h ALA 95 N 1.07 0.82 -0.32 3.43 0.00 -1.17 -1.75 119.26 121.35 1kx5 h ALA 95 Ca 0.15 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1kx5 h ALA 95 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1kx5 h ALA 95 CO -0.02 0.67 -0.16 0.77 0.00 0.00 0.00 179.25 180.51 1kx5 h SER 96 N 0.93 0.69 -0.44 0.00 0.02 -0.83 -1.20 113.55 112.72 1kx5 h SER 96 Ca 0.15 -0.41 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 1kx5 h SER 96 Cb 0.62 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1kx5 h SER 96 CO 0.04 0.95 -0.25 -0.33 -1.14 0.00 0.00 176.83 176.10 1kx5 h GLU 97 N 0.43 0.95 -0.80 3.45 5.08 -1.02 -0.92 114.58 121.74 1kx5 h GLU 97 Ca 0.07 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1kx5 h GLU 97 Cb 0.69 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1kx5 h GLU 97 CO 0.05 1.09 0.42 0.00 -1.00 0.00 0.00 179.01 179.58 1kx5 h ALA 98 N 0.83 1.03 -0.35 3.43 0.00 -1.26 -0.39 119.26 122.55 1kx5 h ALA 98 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1kx5 h ALA 98 Cb 0.83 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1kx5 h ALA 98 CO 0.07 0.55 0.16 -0.92 0.00 0.00 0.00 179.25 179.12 1kx5 h TYR 99 N 1.12 0.50 -0.36 0.00 3.20 -1.01 -1.73 116.97 118.69 1kx5 h TYR 99 Ca 0.28 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.98 1kx5 h TYR 99 Cb 0.06 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1kx5 h TYR 99 CO 0.01 0.44 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.53 1kx5 h LEU 100 N 0.42 0.89 -0.37 2.82 3.38 -0.78 -0.88 115.31 120.80 1kx5 h LEU 100 Ca 0.12 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1kx5 h LEU 100 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1kx5 h LEU 100 CO -0.01 1.16 0.15 0.58 0.09 0.00 0.00 178.44 180.40 1kx5 h VAL 101 N 0.70 1.19 -0.45 1.22 2.07 -1.00 0.12 116.25 120.10 1kx5 h VAL 101 Ca 0.06 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1kx5 h VAL 101 Cb 0.93 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1kx5 h VAL 101 CO 0.09 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.83 1kx5 h ALA 102 N 1.00 1.06 -0.67 1.67 0.00 -1.21 -1.77 119.26 119.34 1kx5 h ALA 102 Ca 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1kx5 h ALA 102 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1kx5 h ALA 102 CO -0.01 0.58 0.12 1.25 0.00 0.00 0.00 179.25 181.19 1kx5 h LEU 103 N 0.71 1.05 -1.54 0.00 5.85 -0.71 -2.39 115.31 118.29 1kx5 h LEU 103 Ca 0.13 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1kx5 h LEU 103 Cb 0.51 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1kx5 h LEU 103 CO 0.03 1.04 -0.18 -0.26 -0.34 0.00 0.00 178.44 178.72 1kx5 h PHE 104 N 1.02 0.07 -0.24 1.25 0.05 -0.13 0.19 116.94 119.16 1kx5 h PHE 104 Ca 0.21 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.96 1kx5 h PHE 104 Cb 0.42 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 1kx5 h PHE 104 CO 0.03 0.25 0.06 0.93 -0.18 0.00 0.00 178.31 179.40 1kx5 h GLU 105 N 0.07 0.38 -0.29 1.51 5.08 -0.89 -0.19 114.58 120.25 1kx5 h GLU 105 Ca 0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1kx5 h GLU 105 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1kx5 h GLU 105 CO 0.02 0.49 0.10 -0.44 -1.00 0.00 0.00 179.01 178.18 1kx5 h ASP 106 N 0.20 0.41 -0.97 1.42 3.32 -0.97 -2.09 116.42 117.74 1kx5 h ASP 106 Ca 0.07 -0.20 0.09 0.00 0.02 0.00 0.00 57.03 57.02 1kx5 h ASP 106 Cb 0.28 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 1kx5 h ASP 106 CO 0.00 0.50 0.61 0.74 -1.72 0.00 0.00 179.24 179.37 1kx5 h THR 107 N 0.30 0.99 -0.53 0.35 2.02 -0.53 -1.62 112.91 113.89 1kx5 h THR 107 Ca 0.09 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1kx5 h THR 107 Cb 0.23 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1kx5 h THR 107 CO -0.00 0.19 0.12 -1.13 0.37 0.00 0.00 175.52 175.06 1kx5 h ASN 108 N 1.03 0.81 -0.72 4.18 -1.24 -0.73 -0.79 115.58 118.12 1kx5 h ASN 108 Ca 0.45 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1kx5 h ASN 108 Cb 0.34 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 1kx5 h ASN 108 CO -0.22 0.84 0.44 -0.07 -1.29 0.00 0.00 177.43 177.13 1kx5 h LEU 109 N 0.75 0.87 -0.59 0.34 3.38 -0.77 -1.41 115.31 117.87 1kx5 h LEU 109 Ca 0.16 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1kx5 h LEU 109 Cb 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1kx5 h LEU 109 CO 0.00 0.67 -0.17 0.00 0.09 0.00 0.00 178.44 179.03 1kx5 h ALA 111 N 0.97 0.34 -0.23 0.00 0.00 -0.85 -2.58 119.26 116.90 1kx5 h ALA 111 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1kx5 h ALA 111 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1kx5 h ALA 111 CO 0.06 -0.01 -0.06 0.82 0.00 0.00 0.00 179.25 180.06 1kx5 h ILE 112 N 0.24 1.18 -0.36 0.00 2.04 -1.21 -0.08 117.51 119.31 1kx5 h ILE 112 Ca 0.08 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1kx5 h ILE 112 Cb 0.27 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1kx5 h ILE 112 CO 0.00 0.24 0.09 -0.74 0.00 0.00 0.00 178.15 177.74 1kx5 h HIS 113 N 0.35 0.53 -0.27 1.37 2.76 -0.78 0.09 115.15 119.20 1kx5 h HIS 113 Ca 0.07 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1kx5 h HIS 113 Cb 0.33 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1kx5 h HIS 113 CO 0.01 0.47 0.00 0.00 -1.30 0.00 0.00 177.93 177.10 1kx5 n ALA 114 N -2.48 3.02 -2.28 5.26 0.00 -0.71 -4.88 120.51 118.44 1kx5 n ALA 114 Ca 0.02 -0.82 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 1kx5 n ALA 114 Cb 0.18 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1kx5 n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kx5 n LYS 115 N 0.32 -1.36 -4.43 0.00 5.02 0.02 -5.01 118.16 112.72 1kx5 n LYS 115 Ca 0.12 0.85 -0.25 0.00 -2.02 0.00 0.00 58.31 57.01 1kx5 n LYS 115 Cb 0.61 -5.29 -0.09 0.00 -0.02 0.00 0.00 35.03 30.23 1kx5 n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1kx5 s ARG 116 N -4.77 1.98 0.00 1.97 0.52 -0.13 -4.99 118.95 113.53 1kx5 s ARG 116 Ca 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 1kx5 s ARG 116 Cb 0.00 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.65 1kx5 s ARG 116 CO 0.00 0.10 0.43 1.33 0.02 0.00 0.00 175.30 177.18 1kx5 n VAL 117 N -0.92 0.00 -3.82 3.52 0.24 -1.26 -3.14 118.33 112.95 1kx5 n VAL 117 Ca -0.04 -0.49 -0.36 0.00 -2.04 0.00 0.00 64.34 61.40 1kx5 n VAL 117 Cb 0.63 1.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.90 1kx5 n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1kx5 s THR 118 N -0.13 4.64 0.26 3.34 2.01 -1.26 -5.00 115.64 119.50 1kx5 s THR 118 Ca 0.00 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 1kx5 s THR 118 Cb 0.00 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 1kx5 s THR 118 CO 0.00 0.36 0.94 0.27 -0.69 0.00 0.00 174.62 175.50 1kx5 s ILE 119 N 1.23 4.11 0.24 1.82 -4.36 -1.26 -4.88 121.20 118.11 1kx5 s ILE 119 Ca 0.05 2.01 0.06 0.00 -0.26 0.00 0.00 60.65 62.51 1kx5 s ILE 119 Cb -0.14 -4.23 -0.05 0.00 1.25 0.00 0.00 42.46 39.28 1kx5 s ILE 119 CO 0.04 0.39 -0.06 -0.04 0.24 0.00 0.00 174.94 175.52 1kx5 s MET 120 N -1.44 1.40 0.34 0.37 -1.94 -1.26 -5.03 119.30 111.74 1kx5 s MET 120 Ca 0.44 -1.69 0.08 0.00 -1.71 0.00 0.00 55.69 52.81 1kx5 s MET 120 Cb -0.24 -0.92 0.79 0.00 2.01 0.00 0.00 34.83 36.47 1kx5 s MET 120 CO 0.30 0.02 1.84 -1.35 -0.01 0.00 0.00 175.02 175.82 1kx5 h PRO 121 N 2.43 0.70 0.00 2.03 0.11 -2.00 0.22 132.00 135.49 1kx5 h PRO 121 Ca -0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1kx5 h PRO 121 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1kx5 h PRO 121 CO 0.65 0.46 -0.06 1.57 -0.21 0.00 0.00 178.00 180.42 1kx5 h LYS 122 N 0.72 0.00 0.03 1.05 2.10 -1.98 0.03 116.57 118.52 1kx5 h LYS 122 Ca 0.49 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.86 1kx5 h LYS 122 Cb 0.78 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.13 1kx5 h LYS 122 CO -0.25 0.06 -1.10 -0.44 -2.00 0.00 0.00 179.45 175.73 1kx5 h ASP 123 N 0.00 0.89 -0.61 7.07 3.32 -0.91 -1.12 116.42 125.06 1kx5 h ASP 123 Ca -0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 57.03 56.25 1kx5 h ASP 123 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1kx5 h ASP 123 CO 0.01 1.54 0.13 0.40 -1.72 0.00 0.00 179.24 179.60 1kx5 h ILE 124 N 0.36 1.26 -0.39 0.35 2.04 -1.10 -1.95 117.51 118.07 1kx5 h ILE 124 Ca -0.14 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.71 1kx5 h ILE 124 Cb 1.75 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1kx5 h ILE 124 CO 0.21 0.35 0.03 1.56 0.00 0.00 0.00 178.15 180.30 1kx5 h GLN 125 N 0.90 0.68 -0.35 2.37 4.20 -1.00 -0.93 115.11 120.98 1kx5 h GLN 125 Ca 0.19 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1kx5 h GLN 125 Cb 0.38 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1kx5 h GLN 125 CO 0.01 0.75 0.21 1.25 -0.67 0.00 0.00 178.83 180.38 1kx5 h LEU 126 N 0.51 0.42 -0.59 1.46 5.85 -1.13 -0.77 115.31 121.06 1kx5 h LEU 126 Ca 0.11 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1kx5 h LEU 126 Cb 0.43 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1kx5 h LEU 126 CO 0.02 0.34 0.38 0.00 -0.34 0.00 0.00 178.44 178.84 1kx5 h ALA 127 N 1.09 0.74 -0.19 1.25 0.00 -1.15 -1.45 119.26 119.55 1kx5 h ALA 127 Ca 0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1kx5 h ALA 127 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1kx5 h ALA 127 CO -0.02 0.18 -0.38 0.00 0.00 0.00 0.00 179.25 179.03 1kx5 h ARG 128 N 0.79 0.42 -0.50 0.00 3.08 -0.98 -1.00 114.38 116.19 1kx5 h ARG 128 Ca 0.21 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1kx5 h ARG 128 Cb -0.08 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1kx5 h ARG 128 CO -0.05 0.74 0.04 -0.09 -1.07 0.00 0.00 179.97 179.54 1kx5 h ARG 129 N 0.35 0.85 -0.40 0.04 9.65 -0.77 0.40 114.38 124.51 1kx5 h ARG 129 Ca 0.03 -0.25 -0.12 0.00 -1.10 0.00 0.00 59.98 58.54 1kx5 h ARG 129 Cb 0.83 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1kx5 h ARG 129 CO 0.07 0.87 -0.25 0.82 2.80 0.00 0.00 179.97 184.28 1kx5 h ILE 130 N 0.72 1.27 0.00 1.20 2.04 -1.11 -1.99 117.51 119.64 1kx5 h ILE 130 Ca 0.15 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 1kx5 h ILE 130 Cb 0.46 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1kx5 h ILE 130 CO 0.02 0.46 -0.05 0.03 0.00 0.00 0.00 178.15 178.62 1kx5 h ARG 131 N 0.71 0.00 0.00 2.37 3.08 -1.11 -3.46 114.38 115.97 1kx5 h ARG 131 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1kx5 h ARG 131 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1kx5 h ARG 131 CO 0.06 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 1kx5 n GLY 132 N -0.59 0.85 0.12 0.04 0.00 -0.75 -4.95 105.19 99.92 1kx5 n GLY 132 Ca -0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1kx5 n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kx5 h GLU 133 N 2.35 0.32 0.00 1.61 5.08 -1.15 -3.37 114.58 119.42 1kx5 h GLU 133 Ca 0.00 -0.54 -0.22 0.00 -1.00 0.00 0.00 59.36 57.60 1kx5 h GLU 133 Cb 0.00 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1kx5 h GLU 133 CO 0.00 1.21 -1.39 0.54 -1.00 0.00 0.00 179.01 178.37 1kx5 n ARG 134 N -3.52 0.54 0.00 2.33 1.74 -0.90 -4.98 116.66 111.87 1kx5 n ARG 134 Ca -0.17 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1kx5 n ARG 134 Cb 1.06 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1kx5 n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11