#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 n ASP -2 N 0.00 -0.74 -3.63 0.00 -0.08 -1.26 -5.01 116.55 105.83 1kx7 n ASP -2 Ca 0.00 -1.69 -0.41 0.00 -1.51 0.00 0.00 54.79 51.18 1kx7 n ASP -2 Cb 0.00 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.69 1kx7 n ASP -2 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1kx7 n LEU -1 N 0.00 7.52 -0.03 -2.67 7.99 -1.26 -4.28 117.00 124.28 1kx7 n LEU -1 Ca -0.21 -4.99 -0.01 0.00 -0.01 0.00 0.00 56.01 50.79 1kx7 n LEU -1 Cb 0.63 -1.33 -0.07 0.00 -0.11 0.00 0.00 43.42 42.55 1kx7 n LEU -1 CO -0.10 1.91 -0.71 0.00 -1.51 0.00 0.00 177.39 176.98 1kx7 n GLN 1 N 1.65 1.77 -3.51 3.23 3.00 -1.26 -4.99 117.38 117.27 1kx7 n GLN 1 Ca 0.52 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 57.39 1kx7 n GLN 1 Cb 0.28 -1.21 -0.09 0.00 0.00 0.00 0.00 30.24 29.21 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1kx7 s ASP 2 N -3.66 0.00 0.31 1.08 -1.08 -1.26 -5.04 116.67 107.03 1kx7 s ASP 2 Ca -0.04 0.61 0.09 0.00 -0.52 0.00 0.00 52.55 52.69 1kx7 s ASP 2 Cb 0.04 1.21 0.93 0.00 -1.46 0.00 0.00 42.92 43.64 1kx7 s ASP 2 CO 0.35 -0.26 1.45 0.00 0.52 0.00 0.00 175.17 177.23 1kx7 n ALA 3 N 5.38 0.67 -0.04 3.66 0.00 -1.26 -0.10 120.51 128.81 1kx7 n ALA 3 Ca -0.06 0.97 -0.10 0.00 0.00 0.00 0.00 53.44 54.24 1kx7 n ALA 3 Cb 0.50 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1kx7 n ALA 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1kx7 h GLU 4 N 0.00 0.25 -0.05 0.00 4.81 -1.91 -0.72 114.58 116.96 1kx7 h GLU 4 Ca 0.65 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.79 1kx7 h GLU 4 Cb 1.54 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1kx7 h GLU 4 CO -0.80 0.21 -0.30 0.00 -0.73 0.00 0.00 179.01 177.38 1kx7 h ALA 5 N 1.03 1.40 0.20 2.92 0.00 -0.88 0.20 119.26 124.12 1kx7 h ALA 5 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1kx7 h ALA 5 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1kx7 h ALA 5 CO -0.01 0.44 -0.10 0.82 0.00 0.00 0.00 179.25 180.40 1kx7 h ILE 6 N 0.09 0.89 -0.41 0.00 1.08 -0.44 0.86 117.51 119.58 1kx7 h ILE 6 Ca 0.01 -0.56 -0.14 0.00 -0.39 0.00 0.00 64.86 63.78 1kx7 h ILE 6 Cb 0.59 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1kx7 h ILE 6 CO 0.04 0.12 -0.30 0.10 -0.69 0.00 0.00 178.15 177.42 1kx7 h TYR 7 N -0.55 1.09 0.00 1.37 -0.00 -0.81 0.19 116.97 118.26 1kx7 h TYR 7 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 58.73 58.38 1kx7 h TYR 7 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 1kx7 h TYR 7 CO 0.02 1.12 -0.08 -0.97 -0.00 0.00 0.00 178.16 178.24 1kx7 h ASN 8 N 0.75 0.00 0.07 0.10 -1.24 -0.58 0.18 115.58 114.86 1kx7 h ASN 8 Ca 0.08 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.83 1kx7 h ASN 8 Cb 0.89 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.89 1kx7 h ASN 8 CO 0.08 0.08 -2.19 1.17 -1.29 0.00 0.00 177.43 175.28 1kx7 n LYS 9 N -3.27 0.67 -0.01 6.67 0.00 0.29 -4.67 118.16 117.84 1kx7 n LYS 9 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 58.31 58.27 1kx7 n LYS 9 Cb 0.31 -1.55 -0.01 0.00 0.00 0.00 0.00 35.03 33.78 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kx7 n ALA 10 N -2.60 0.68 -0.26 3.14 0.00 0.65 -4.62 120.51 117.51 1kx7 n ALA 10 Ca -0.24 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1kx7 n ALA 10 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1kx7 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kx7 n THR 12 N 1.46 0.00 -0.13 0.00 5.66 -1.10 -3.99 114.28 116.19 1kx7 n THR 12 Ca 0.00 -0.49 -0.19 0.00 -3.05 0.00 0.00 64.05 60.32 1kx7 n THR 12 Cb 0.41 1.01 -0.12 0.00 -1.55 0.00 0.00 70.33 70.09 1kx7 n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1kx7 n VAL 13 N -0.46 1.49 -0.08 1.08 0.31 -1.25 -4.35 118.33 115.06 1kx7 n VAL 13 Ca 0.00 -0.55 -0.08 0.00 -0.01 0.00 0.00 64.34 63.70 1kx7 n VAL 13 Cb 0.00 -1.46 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 h HIS 15 N -0.87 0.00 0.23 0.00 3.86 -1.81 0.28 115.15 116.84 1kx7 h HIS 15 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1kx7 h HIS 15 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1kx7 h HIS 15 CO -0.37 0.19 -0.11 1.03 0.86 0.00 0.00 177.93 179.53 1kx7 h SER 16 N 0.00 -0.26 0.00 2.45 0.87 -1.76 -2.14 113.55 112.70 1kx7 h SER 16 Ca -0.00 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1kx7 h SER 16 Cb 0.82 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1kx7 h SER 16 CO 0.02 -0.12 -2.02 0.80 -0.53 0.00 0.00 176.83 174.99 1kx7 n MET 17 N -5.19 0.69 -1.02 2.24 0.00 -1.22 -4.68 117.12 107.94 1kx7 n MET 17 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.46 1kx7 n MET 17 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.91 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kx7 n GLY 18 N 1.46 0.59 3.95 -5.12 0.00 0.76 -5.05 105.19 101.79 1kx7 n GLY 18 Ca -0.10 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1kx7 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kx7 s VAL 19 N -2.22 5.13 -1.85 1.61 1.01 0.15 -4.35 120.40 119.87 1kx7 s VAL 19 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1kx7 s VAL 19 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1kx7 s VAL 19 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 175.10 174.64 1kx7 n ALA 20 N -1.64 -0.27 -0.89 5.51 0.00 -1.26 -0.69 120.51 121.26 1kx7 n ALA 20 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1kx7 n ALA 20 Cb 0.57 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1kx7 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kx7 n GLY 21 N -0.29 0.79 3.69 0.00 0.00 -1.26 -5.03 105.19 103.09 1kx7 n GLY 21 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1kx7 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kx7 n ALA 22 N 0.68 1.06 -1.52 4.61 0.00 0.13 -4.97 120.51 120.50 1kx7 n ALA 22 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 1kx7 n ALA 22 Cb 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.24 1kx7 n ALA 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kx7 s PRO 23 N -2.67 2.85 0.31 0.00 0.04 -1.26 -4.53 135.00 129.74 1kx7 s PRO 23 Ca 0.70 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1kx7 s PRO 23 Cb -0.44 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1kx7 s PRO 23 CO 0.51 -1.20 1.25 0.15 0.04 0.00 0.00 177.00 177.75 1kx7 s LYS 24 N -4.15 4.43 0.20 4.56 1.02 -1.26 -4.57 119.74 119.96 1kx7 s LYS 24 Ca 0.66 2.10 0.03 0.00 0.02 0.00 0.00 55.97 58.79 1kx7 s LYS 24 Cb -0.20 -3.11 0.54 0.00 -0.52 0.00 0.00 37.83 34.54 1kx7 s LYS 24 CO 0.42 -0.09 0.96 0.45 -0.92 0.00 0.00 175.35 176.17 1kx7 n SER 25 N 1.00 -0.02 -3.57 2.83 2.88 -0.80 -3.25 113.62 112.69 1kx7 n SER 25 Ca 0.00 1.04 -0.28 0.00 -1.33 0.00 0.00 58.87 58.29 1kx7 n SER 25 Cb 0.43 -0.40 -0.15 0.00 -0.75 0.00 0.00 64.21 63.33 1kx7 n SER 25 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1kx7 s HIS 26 N -5.38 0.41 0.24 0.66 -3.43 -1.26 -4.74 115.29 101.80 1kx7 s HIS 26 Ca -0.07 -0.83 0.11 0.00 -0.80 0.00 0.00 55.06 53.46 1kx7 s HIS 26 Cb 0.19 -0.92 -0.05 0.00 -1.43 0.00 0.00 32.58 30.37 1kx7 s HIS 26 CO 0.48 -0.77 -0.16 -0.80 -2.00 0.00 0.00 174.74 171.49 1kx7 s ASN 27 N 2.07 3.81 -0.19 7.38 0.01 -1.20 -5.07 114.94 121.75 1kx7 s ASN 27 Ca 0.07 -0.87 0.07 0.00 -0.71 0.00 0.00 52.86 51.43 1kx7 s ASN 27 Cb -0.16 -0.44 -0.17 0.00 0.41 0.00 0.00 41.25 40.89 1kx7 s ASN 27 CO -0.30 0.06 -0.08 0.41 -1.51 0.00 0.00 177.10 175.68 1kx7 n THR 28 N -0.38 1.17 0.14 1.60 -1.04 -1.26 -4.13 114.28 110.39 1kx7 n THR 28 Ca -0.08 -0.57 0.05 0.00 -2.04 0.00 0.00 64.05 61.41 1kx7 n THR 28 Cb 0.58 -0.94 0.04 0.00 -1.82 0.00 0.00 70.33 68.20 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kx7 h ALA 29 N 0.37 0.73 0.00 2.41 0.00 -1.99 0.17 119.26 120.95 1kx7 h ALA 29 Ca -0.46 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.02 1kx7 h ALA 29 Cb 1.86 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1kx7 h ALA 29 CO -0.03 0.48 -0.94 0.22 0.00 0.00 0.00 179.25 178.98 1kx7 h ASP 30 N 0.00 0.00 0.14 0.00 1.82 -1.99 -3.36 116.42 113.02 1kx7 h ASP 30 Ca -0.02 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.26 1kx7 h ASP 30 Cb 1.30 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.25 1kx7 h ASP 30 CO 0.04 0.23 -2.17 0.79 -1.61 0.00 0.00 179.24 176.52 1kx7 n TRP 31 N -2.86 0.54 -0.41 0.28 7.02 -1.19 -4.50 117.44 116.32 1kx7 n TRP 31 Ca -0.02 0.15 -0.10 0.00 -1.02 0.00 0.00 57.50 56.50 1kx7 n TRP 31 Cb 0.66 -1.08 -0.09 0.00 -2.42 0.00 0.00 31.31 28.37 1kx7 n TRP 31 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1kx7 h GLU 32 N 0.02 -0.01 -0.45 -0.99 5.08 -0.80 0.10 114.58 117.53 1kx7 h GLU 32 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1kx7 h GLU 32 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1kx7 h GLU 32 CO 0.02 -0.01 0.00 -0.35 -1.00 0.00 0.00 179.01 177.67 1kx7 n PRO 33 N -5.27 0.60 0.00 2.33 -0.04 -1.26 -2.14 135.00 129.22 1kx7 n PRO 33 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1kx7 n PRO 33 Cb 0.27 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1kx7 n PRO 33 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kx7 n ARG 34 N 0.02 0.00 0.10 0.54 3.00 0.09 -4.73 116.66 115.69 1kx7 n ARG 34 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.91 1kx7 n ARG 34 Cb 0.11 -0.78 0.35 0.00 0.00 0.00 0.00 32.46 32.15 1kx7 n ARG 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1kx7 n LEU 35 N -2.60 0.34 0.02 0.55 0.00 0.13 -0.71 117.00 114.74 1kx7 n LEU 35 Ca 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 56.01 56.57 1kx7 n LEU 35 Cb 0.45 -0.68 -0.13 0.00 0.00 0.00 0.00 43.42 43.06 1kx7 n LEU 35 CO 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 177.39 176.43 1kx7 h ALA 36 N 1.91 0.53 0.03 1.96 0.00 -1.72 -3.36 119.26 118.62 1kx7 h ALA 36 Ca 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 54.91 53.73 1kx7 h ALA 36 Cb 0.06 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kx7 h ALA 36 CO 0.00 1.39 -0.02 0.87 0.00 0.00 0.00 179.25 181.49 1kx7 h LYS 37 N 0.01 -0.04 0.00 0.00 1.57 -1.21 -3.51 116.57 113.39 1kx7 h LYS 37 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1kx7 h LYS 37 Cb 1.90 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1kx7 h LYS 37 CO 0.11 0.63 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 1kx7 n GLY 38 N 1.22 -0.52 2.07 3.86 0.00 -0.81 -5.01 105.19 106.00 1kx7 n GLY 38 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1kx7 n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kx7 n VAL 39 N 0.00 0.00 0.59 1.61 0.24 -1.26 -4.21 118.33 115.30 1kx7 n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1kx7 n VAL 39 Cb 0.00 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1kx7 n ASP 40 N -3.08 1.63 -0.10 -1.34 9.92 -1.26 -2.65 116.55 119.68 1kx7 n ASP 40 Ca 0.00 -1.18 -0.15 0.00 -0.53 0.00 0.00 54.79 52.93 1kx7 n ASP 40 Cb 0.00 -0.29 -0.05 0.00 -0.64 0.00 0.00 41.12 40.13 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1kx7 n ASN 41 N 0.65 1.85 0.09 -2.24 3.02 -1.26 -4.44 115.26 112.94 1kx7 n ASN 41 Ca 0.00 0.31 -0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1kx7 n ASN 41 Cb 0.28 -0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1kx7 n ASN 41 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1kx7 h LEU 42 N -0.92 0.00 -2.43 3.41 4.07 -1.81 -2.60 115.31 115.03 1kx7 h LEU 42 Ca -0.24 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.74 1kx7 h LEU 42 Cb 1.16 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1kx7 h LEU 42 CO -0.15 0.64 0.16 1.62 -1.08 0.00 0.00 178.44 179.63 1kx7 h VAL 43 N 0.00 0.22 0.21 1.22 3.04 -1.83 0.23 116.25 119.34 1kx7 h VAL 43 Ca -0.05 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.32 1kx7 h VAL 43 Cb 1.53 0.86 0.02 0.00 -2.01 0.00 0.00 31.29 31.70 1kx7 h VAL 43 CO 0.07 0.00 -1.44 0.11 -1.01 0.00 0.00 177.57 175.31 1kx7 h LYS 44 N 0.00 0.44 -0.10 4.17 1.79 -1.68 -3.14 116.57 118.04 1kx7 h LYS 44 Ca 0.03 -0.75 -0.21 0.00 -2.18 0.00 0.00 60.65 57.54 1kx7 h LYS 44 Cb 0.35 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1kx7 h LYS 44 CO -0.00 1.36 -0.79 1.03 -1.08 0.00 0.00 179.45 179.96 1kx7 h SER 45 N 0.12 0.73 -0.68 0.86 0.87 -0.74 -0.22 113.55 114.51 1kx7 h SER 45 Ca -0.23 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 59.82 1kx7 h SER 45 Cb 2.10 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.81 1kx7 h SER 45 CO 0.24 1.27 0.36 1.62 -0.53 0.00 0.00 176.83 179.80 1kx7 h VAL 46 N 0.41 1.21 -0.25 2.23 3.04 -0.84 0.31 116.25 122.37 1kx7 h VAL 46 Ca -0.05 -0.56 -0.13 0.00 -1.01 0.00 0.00 66.70 64.95 1kx7 h VAL 46 Cb 1.41 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 1kx7 h VAL 46 CO 0.15 0.24 -0.38 0.07 -1.01 0.00 0.00 177.57 176.64 1kx7 h LYS 47 N 0.93 0.57 -0.08 4.17 5.09 -1.47 0.34 116.57 126.12 1kx7 h LYS 47 Ca 0.24 -0.28 -0.17 0.00 0.09 0.00 0.00 60.65 60.53 1kx7 h LYS 47 Cb 0.06 -0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.38 1kx7 h LYS 47 CO -0.04 0.86 -0.69 1.15 -2.09 0.00 0.00 179.45 178.64 1kx7 h THR 48 N 0.47 1.38 -0.03 0.07 2.02 -0.68 -0.43 112.91 115.71 1kx7 h THR 48 Ca 0.05 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1kx7 h THR 48 Cb 0.87 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1kx7 h THR 48 CO 0.07 0.63 0.00 0.61 0.37 0.00 0.00 175.52 177.20 1kx7 n GLY 49 N 0.48 0.99 0.00 2.16 0.00 0.11 -4.30 105.19 104.62 1kx7 n GLY 49 Ca -0.04 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1kx7 n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kx7 n LEU 50 N 0.00 0.00 -0.05 0.99 7.94 -1.21 -4.90 117.00 119.77 1kx7 n LEU 50 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1kx7 n LEU 50 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1kx7 n LEU 50 CO 0.00 -0.01 -0.05 0.78 -1.11 0.00 0.00 177.39 177.00 1kx7 h ASN 51 N 0.00 0.00 0.54 1.96 2.35 -1.98 -3.37 115.58 115.07 1kx7 h ASN 51 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kx7 h ASN 51 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1kx7 h ASN 51 CO 0.00 0.50 -0.18 0.00 -1.65 0.00 0.00 177.43 176.10 1kx7 n ALA 52 N -2.85 2.86 -2.54 -0.83 0.00 -1.26 -4.87 120.51 111.02 1kx7 n ALA 52 Ca -0.01 -0.25 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 1kx7 n ALA 52 Cb 0.04 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 1kx7 n ALA 52 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kx7 s MET 53 N -2.72 3.83 0.51 0.00 -1.94 -1.26 -5.09 119.30 112.63 1kx7 s MET 53 Ca 0.21 0.29 -0.21 0.00 -1.71 0.00 0.00 55.69 54.27 1kx7 s MET 53 Cb 0.19 -3.10 -0.06 0.00 2.01 0.00 0.00 34.83 33.87 1kx7 s MET 53 CO 0.54 0.62 1.17 -1.25 -0.01 0.00 0.00 175.02 176.10 1kx7 s PRO 54 N -1.50 3.50 -0.30 2.03 0.04 -1.26 -3.75 135.00 133.75 1kx7 s PRO 54 Ca 0.28 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 1kx7 s PRO 54 Cb -0.15 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1kx7 s PRO 54 CO 0.16 -0.76 1.86 -1.25 0.04 0.00 0.00 177.00 177.04 1kx7 s PRO 55 N -2.98 3.33 0.00 0.56 0.04 -1.26 -2.12 135.00 132.57 1kx7 s PRO 55 Ca 0.69 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1kx7 s PRO 55 Cb -0.28 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1kx7 s PRO 55 CO 0.33 -1.86 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1kx7 n GLY 56 N 5.44 1.12 2.77 0.56 0.00 -0.17 -4.34 105.19 110.57 1kx7 n GLY 56 Ca 0.24 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1kx7 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx7 n GLY 57 N -0.53 -0.18 3.93 -0.02 0.00 0.09 -0.07 105.19 108.41 1kx7 n GLY 57 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1kx7 n GLY 57 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1kx7 n MET 58 N -2.03 0.00 -0.04 1.61 1.56 -1.26 -4.76 117.12 112.20 1kx7 n MET 58 Ca 0.05 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.41 1kx7 n MET 58 Cb 0.20 -4.17 -0.14 0.00 2.15 0.00 0.00 33.22 31.26 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 n THR 60 N -2.89 0.00 -1.12 0.00 -1.04 -0.08 -4.39 114.28 104.76 1kx7 n THR 60 Ca -0.21 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.56 1kx7 n THR 60 Cb 1.04 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.45 1kx7 n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1kx7 n ASP 61 N 1.24 6.72 -4.58 8.00 2.03 -1.26 -4.90 116.55 123.80 1kx7 n ASP 61 Ca 0.00 -2.51 -0.40 0.00 0.52 0.00 0.00 54.79 52.40 1kx7 n ASP 61 Cb 0.00 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 38.86 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx7 s THR 63 N 2.28 2.67 0.31 0.00 2.01 -1.26 -4.97 115.64 116.68 1kx7 s THR 63 Ca 0.18 -0.79 0.15 0.00 0.31 0.00 0.00 61.69 61.53 1kx7 s THR 63 Cb -0.16 -2.10 0.32 0.00 0.01 0.00 0.00 72.50 70.58 1kx7 s THR 63 CO 0.11 0.53 1.37 0.47 -0.69 0.00 0.00 174.62 176.42 1kx7 n ASP 64 N 3.63 0.21 -0.31 3.53 8.00 -1.26 -0.55 116.55 129.80 1kx7 n ASP 64 Ca -0.19 1.45 -0.05 0.00 0.71 0.00 0.00 54.79 56.71 1kx7 n ASP 64 Cb 0.53 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kx7 n GLU 65 N -5.03 -0.27 -0.03 -1.24 1.02 -1.26 -0.18 120.64 113.66 1kx7 n GLU 65 Ca 0.30 1.17 -0.15 0.00 -0.02 0.00 0.00 57.16 58.47 1kx7 n GLU 65 Cb 1.02 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 30.57 1kx7 n GLU 65 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1kx7 n ASP 66 N -5.04 1.41 -0.15 1.62 8.00 0.29 -4.17 116.55 118.51 1kx7 n ASP 66 Ca 0.04 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.68 1kx7 n ASP 66 Cb 0.25 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1kx7 n ASP 66 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1kx7 h TYR 67 N 0.03 0.92 -0.60 1.24 3.20 -0.47 0.25 116.97 121.54 1kx7 h TYR 67 Ca -0.39 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.26 1kx7 h TYR 67 Cb 2.03 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 40.05 1kx7 h TYR 67 CO 0.03 0.91 0.25 1.57 -1.64 0.00 0.00 178.16 179.29 1kx7 h LYS 68 N 0.66 0.88 0.00 1.82 2.10 -0.80 -0.63 116.57 120.60 1kx7 h LYS 68 Ca 0.12 -0.15 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 1kx7 h LYS 68 Cb 0.59 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1kx7 h LYS 68 CO 0.04 0.74 -0.24 0.00 -2.00 0.00 0.00 179.45 177.99 1kx7 h ALA 69 N 1.09 1.49 -0.03 0.07 0.00 -1.57 0.23 119.26 120.55 1kx7 h ALA 69 Ca 0.20 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1kx7 h ALA 69 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kx7 h ALA 69 CO -0.02 0.30 -0.33 0.00 0.00 0.00 0.00 179.25 179.20 1kx7 h ALA 70 N 1.76 0.08 -0.31 0.00 0.00 0.10 -1.72 119.26 119.18 1kx7 h ALA 70 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1kx7 h ALA 70 Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1kx7 h ALA 70 CO 0.03 0.16 0.17 0.82 0.00 0.00 0.00 179.25 180.43 1kx7 h ILE 71 N -0.29 1.13 -0.56 0.00 5.03 -0.98 -3.11 117.51 118.72 1kx7 h ILE 71 Ca -0.03 -0.33 0.01 0.00 -0.12 0.00 0.00 64.86 64.40 1kx7 h ILE 71 Cb 1.03 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 35.57 1kx7 h ILE 71 CO 0.07 0.13 0.37 1.05 -0.68 0.00 0.00 178.15 179.08 1kx7 h GLU 72 N 0.38 0.70 -0.98 2.37 -0.00 -0.54 -2.68 114.58 113.83 1kx7 h GLU 72 Ca 0.11 -0.04 0.31 0.00 -0.00 0.00 0.00 59.36 59.73 1kx7 h GLU 72 Cb 0.05 -0.16 -0.15 0.00 -0.00 0.00 0.00 28.75 28.49 1kx7 h GLU 72 CO -0.02 0.46 0.48 0.35 -0.00 0.00 0.00 179.01 180.29 1kx7 h PHE 73 N 0.72 0.78 0.04 2.06 3.04 -1.23 -2.80 116.94 119.55 1kx7 h PHE 73 Ca 0.21 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 1kx7 h PHE 73 Cb -0.03 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.30 1kx7 h PHE 73 CO -0.00 -0.20 -0.02 0.52 -2.02 0.00 0.00 178.31 176.59 1kx7 h MET 74 N 0.28 -0.05 0.00 1.11 2.86 -1.63 -3.46 114.93 114.03 1kx7 h MET 74 Ca 0.70 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.23 1kx7 h MET 74 Cb 1.57 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 33.13 1kx7 h MET 74 CO -0.63 -0.04 -0.22 0.45 1.06 0.00 0.00 176.91 177.53 1kx7 n SER 75 N -2.73 -0.94 -4.02 1.22 2.88 -1.14 -4.92 113.62 103.97 1kx7 n SER 75 Ca -0.01 -1.74 -0.41 0.00 -1.33 0.00 0.00 58.87 55.38 1kx7 n SER 75 Cb 0.02 0.36 0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1kx7 n SER 75 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kx7 n LYS 76 N -0.47 -0.41 0.11 -1.46 2.85 -1.07 -4.78 118.16 112.93 1kx7 n LYS 76 Ca -0.19 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1kx7 n LYS 76 Cb 0.68 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 1kx7 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kx7 n ALA 77 N -4.46 1.58 -1.25 0.58 0.00 -1.26 -4.76 120.51 110.93 1kx7 n ALA 77 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1kx7 n ALA 77 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86