#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 s ASP -2 N 0.00 -1.18 0.00 0.00 2.15 -1.26 -5.00 116.67 111.38 1kx7 s ASP -2 Ca 0.00 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 51.80 1kx7 s ASP -2 Cb 0.00 1.53 0.00 0.00 -0.30 0.00 0.00 42.92 44.15 1kx7 s ASP -2 CO 0.00 -0.07 1.38 0.00 -0.17 0.00 0.00 175.17 176.32 1kx7 n LEU -1 N 3.22 3.81 -0.06 -1.34 -0.00 -1.26 -3.67 117.00 117.70 1kx7 n LEU -1 Ca 0.15 -1.77 -0.02 0.00 -0.00 0.00 0.00 56.01 54.37 1kx7 n LEU -1 Cb 0.58 -0.76 -0.16 0.00 -0.00 0.00 0.00 43.42 43.08 1kx7 n LEU -1 CO -0.04 0.70 -0.98 0.00 -0.00 0.00 0.00 177.39 177.07 1kx7 n GLN 1 N 1.18 0.68 -3.68 1.47 1.13 -1.26 -4.87 117.38 112.02 1kx7 n GLN 1 Ca 0.00 -0.06 -0.20 0.00 -1.94 0.00 0.00 57.00 54.80 1kx7 n GLN 1 Cb 0.43 -1.54 -0.18 0.00 0.11 0.00 0.00 30.24 29.06 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1kx7 s ASP 2 N -5.18 1.14 0.39 1.08 -1.08 -1.24 -5.03 116.67 106.75 1kx7 s ASP 2 Ca -0.09 0.07 0.17 0.00 -0.52 0.00 0.00 52.55 52.17 1kx7 s ASP 2 Cb 0.09 -0.16 1.05 0.00 -1.46 0.00 0.00 42.92 42.44 1kx7 s ASP 2 CO 0.86 -0.24 1.80 0.00 0.52 0.00 0.00 175.17 178.10 1kx7 h ALA 3 N 8.39 2.16 -0.45 3.66 0.00 -1.86 0.34 119.26 131.50 1kx7 h ALA 3 Ca -0.14 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1kx7 h ALA 3 Cb 1.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1kx7 h ALA 3 CO 0.17 -0.52 0.29 1.49 0.00 0.00 0.00 179.25 180.67 1kx7 h GLU 4 N 0.44 0.57 -0.10 0.00 4.81 -1.92 -1.39 114.58 116.99 1kx7 h GLU 4 Ca 0.55 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.65 1kx7 h GLU 4 Cb 1.33 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1kx7 h GLU 4 CO -0.27 0.37 -0.36 0.00 -0.73 0.00 0.00 179.01 178.03 1kx7 h ALA 5 N 1.18 1.21 0.13 2.92 0.00 -0.80 0.16 119.26 124.05 1kx7 h ALA 5 Ca 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1kx7 h ALA 5 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1kx7 h ALA 5 CO -0.05 0.54 -0.06 0.82 0.00 0.00 0.00 179.25 180.49 1kx7 h ILE 6 N 0.17 1.00 -0.33 0.00 1.08 -0.43 0.14 117.51 119.15 1kx7 h ILE 6 Ca 0.02 -0.56 -0.12 0.00 -0.39 0.00 0.00 64.86 63.81 1kx7 h ILE 6 Cb 0.73 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1kx7 h ILE 6 CO 0.05 0.13 -0.25 0.10 -0.69 0.00 0.00 178.15 177.50 1kx7 h TYR 7 N -0.44 0.89 0.00 1.37 -0.00 -1.04 0.91 116.97 118.65 1kx7 h TYR 7 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 58.73 58.45 1kx7 h TYR 7 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 36.89 1kx7 h TYR 7 CO 0.01 0.99 -0.09 -0.97 -0.00 0.00 0.00 178.16 178.11 1kx7 h ASN 8 N 0.52 0.00 0.43 0.10 -1.24 -0.69 0.23 115.58 114.94 1kx7 h ASN 8 Ca 0.06 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.79 1kx7 h ASN 8 Cb 0.81 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.81 1kx7 h ASN 8 CO 0.07 0.09 -1.78 1.17 -1.29 0.00 0.00 177.43 175.68 1kx7 n LYS 9 N -3.27 0.64 -0.01 6.67 4.81 0.50 -4.70 118.16 122.81 1kx7 n LYS 9 Ca -0.00 0.22 -0.02 0.00 -0.87 0.00 0.00 58.31 57.64 1kx7 n LYS 9 Cb 0.31 -1.74 -0.01 0.00 0.02 0.00 0.00 35.03 33.61 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kx7 n ALA 10 N -2.56 1.84 -0.41 3.14 0.00 0.30 -4.68 120.51 118.14 1kx7 n ALA 10 Ca -0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 1kx7 n ALA 10 Cb 1.03 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.54 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 1.67 0.00 -0.09 0.00 5.66 -1.15 -4.03 114.28 116.34 1kx7 n THR 12 Ca 0.02 -0.33 -0.19 0.00 -3.05 0.00 0.00 64.05 60.50 1kx7 n THR 12 Cb 0.41 1.20 -0.12 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.27 1.57 -0.05 1.08 0.31 -1.25 -4.44 118.33 115.28 1kx7 n VAL 13 Ca 0.00 -0.58 -0.06 0.00 -0.01 0.00 0.00 64.34 63.69 1kx7 n VAL 13 Cb 0.05 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 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 -0.71 0.00 -0.20 0.00 3.86 -1.83 0.53 115.15 116.80 1kx7 h HIS 15 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1kx7 h HIS 15 Cb 0.71 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1kx7 h HIS 15 CO -0.31 0.00 -0.20 0.77 0.86 0.00 0.00 177.93 179.06 1kx7 h SER 16 N 0.00 0.52 0.00 2.45 0.02 -1.78 -2.23 113.55 112.52 1kx7 h SER 16 Ca 0.00 -0.48 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 1kx7 h SER 16 Cb 0.60 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1kx7 h SER 16 CO 0.00 0.89 -1.35 0.80 -1.14 0.00 0.00 176.83 176.03 1kx7 n MET 17 N -4.45 2.98 -1.17 3.45 1.56 -1.18 -4.87 117.12 113.44 1kx7 n MET 17 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.38 1kx7 n MET 17 Cb 0.40 -1.13 0.00 0.00 2.15 0.00 0.00 33.22 34.64 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kx7 n GLY 18 N 2.72 0.78 0.06 -5.12 0.00 0.19 -5.03 105.19 98.80 1kx7 n GLY 18 Ca -0.08 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 1kx7 n GLY 18 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kx7 h VAL 19 N 0.00 0.47 -0.19 1.61 2.07 -1.83 -3.32 116.25 115.07 1kx7 h VAL 19 Ca 0.00 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.03 1kx7 h VAL 19 Cb 0.78 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1kx7 h VAL 19 CO 0.00 0.16 0.15 0.00 0.02 0.00 0.00 177.57 177.90 1kx7 n ALA 20 N -2.88 3.82 -2.18 1.67 0.00 -1.26 -4.73 120.51 114.94 1kx7 n ALA 20 Ca -0.05 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.59 1kx7 n ALA 20 Cb 0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 0.65 0.13 3.76 0.00 0.00 -1.25 -4.95 105.19 103.53 1kx7 n GLY 21 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1kx7 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kx7 s ALA 22 N -2.89 3.55 0.55 4.61 0.00 -1.26 -4.97 121.76 121.34 1kx7 s ALA 22 Ca 0.00 1.33 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 1kx7 s ALA 22 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1kx7 s ALA 22 CO 0.00 -0.73 1.15 -1.25 0.00 0.00 0.00 175.76 174.93 1kx7 s PRO 23 N -1.32 3.30 0.26 0.00 0.04 -1.26 -4.51 135.00 131.51 1kx7 s PRO 23 Ca 0.53 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 1kx7 s PRO 23 Cb -0.41 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1kx7 s PRO 23 CO 0.51 -0.91 1.24 0.15 0.04 0.00 0.00 177.00 178.04 1kx7 s LYS 24 N -3.25 4.45 0.60 4.56 1.02 -1.26 -4.66 119.74 121.20 1kx7 s LYS 24 Ca 0.73 2.02 0.29 0.00 0.02 0.00 0.00 55.97 59.03 1kx7 s LYS 24 Cb -0.26 -3.16 1.45 0.00 -0.52 0.00 0.00 37.83 35.34 1kx7 s LYS 24 CO 0.29 -0.10 1.86 0.77 -0.92 0.00 0.00 175.35 177.25 1kx7 h SER 25 N 4.35 0.00 -2.40 2.83 0.02 -1.73 -3.30 113.55 113.32 1kx7 h SER 25 Ca -0.46 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.98 1kx7 h SER 25 Cb 1.22 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.39 1kx7 h SER 25 CO 0.71 0.00 -0.79 -1.38 -1.14 0.00 0.00 176.83 174.22 1kx7 s HIS 26 N -4.57 0.36 0.34 3.45 0.00 -1.26 -4.74 115.29 108.86 1kx7 s HIS 26 Ca -0.04 -1.29 0.04 0.00 -3.00 0.00 0.00 55.06 50.77 1kx7 s HIS 26 Cb 0.15 -0.75 -0.06 0.00 -4.00 0.00 0.00 32.58 27.92 1kx7 s HIS 26 CO 0.53 -0.87 0.07 1.21 -1.00 0.00 0.00 174.74 174.67 1kx7 s ASN 27 N 1.29 2.47 -0.16 7.38 3.84 -1.24 -5.07 114.94 123.45 1kx7 s ASN 27 Ca 0.17 -1.42 0.09 0.00 0.21 0.00 0.00 52.86 51.91 1kx7 s ASN 27 Cb -0.20 -0.00 -0.16 0.00 -0.55 0.00 0.00 41.25 40.34 1kx7 s ASN 27 CO -0.04 -0.65 -0.02 0.41 -2.79 0.00 0.00 177.10 174.01 1kx7 n THR 28 N -0.73 1.04 0.03 -5.21 -1.04 -1.26 -4.50 114.28 102.61 1kx7 n THR 28 Ca -0.03 -0.56 -0.17 0.00 -2.04 0.00 0.00 64.05 61.25 1kx7 n THR 28 Cb 0.66 -0.79 -0.07 0.00 -1.82 0.00 0.00 70.33 68.31 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 0.49 0.28 -0.06 2.41 0.00 -2.00 0.33 119.26 120.71 1kx7 h ALA 29 Ca -0.41 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 53.76 1kx7 h ALA 29 Cb 1.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1kx7 h ALA 29 CO -0.01 0.72 -0.31 -0.44 0.00 0.00 0.00 179.25 179.21 1kx7 h ASP 30 N 0.40 0.11 0.28 0.00 3.32 -1.95 -3.28 116.42 115.30 1kx7 h ASP 30 Ca -0.09 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.60 1kx7 h ASP 30 Cb 1.55 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 41.03 1kx7 h ASP 30 CO 0.18 0.42 -1.93 0.79 -1.72 0.00 0.00 179.24 176.98 1kx7 n TRP 31 N -4.14 0.94 -0.29 4.55 7.02 -1.12 -4.48 117.44 119.92 1kx7 n TRP 31 Ca -0.02 0.27 -0.09 0.00 -1.02 0.00 0.00 57.50 56.64 1kx7 n TRP 31 Cb 0.38 -1.15 -0.08 0.00 -2.42 0.00 0.00 31.31 28.04 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 0.03 -0.06 0.00 -0.99 5.08 -0.41 0.15 114.58 118.38 1kx7 h GLU 32 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1kx7 h GLU 32 Cb 2.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1kx7 h GLU 32 CO 0.07 -0.04 0.00 -0.35 -1.00 0.00 0.00 179.01 177.69 1kx7 n PRO 33 N -4.81 0.56 -0.04 2.33 -0.04 -1.26 -1.62 135.00 130.11 1kx7 n PRO 33 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 1kx7 n PRO 33 Cb 0.22 -1.06 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.56 0.19 0.30 0.54 5.12 0.08 -4.42 116.66 117.91 1kx7 n ARG 34 Ca 0.02 0.08 0.18 0.00 -1.93 0.00 0.00 57.85 56.20 1kx7 n ARG 34 Cb 0.01 -0.83 0.92 0.00 -1.16 0.00 0.00 32.46 31.40 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1kx7 h LEU 35 N -0.33 0.00 -0.04 0.55 6.46 -0.72 -2.04 115.31 119.19 1kx7 h LEU 35 Ca -0.20 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.39 1kx7 h LEU 35 Cb 1.08 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1kx7 h LEU 35 CO -0.12 0.04 -0.78 0.00 -0.62 0.00 0.00 178.44 176.95 1kx7 h ALA 36 N 1.96 0.51 0.08 1.25 0.00 -1.53 -3.30 119.26 118.24 1kx7 h ALA 36 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1kx7 h ALA 36 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kx7 h ALA 36 CO 0.00 0.98 -0.04 0.87 0.00 0.00 0.00 179.25 181.06 1kx7 h LYS 37 N 0.00 -0.11 0.00 0.00 1.79 -1.61 -3.51 116.57 113.13 1kx7 h LYS 37 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1kx7 h LYS 37 Cb 1.58 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 1kx7 h LYS 37 CO 0.10 0.39 0.00 0.41 -1.08 0.00 0.00 179.45 179.27 1kx7 n GLY 38 N 1.14 -0.74 2.04 3.86 0.00 -0.83 -5.03 105.19 105.64 1kx7 n GLY 38 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.39 1.61 0.24 -1.26 -4.26 118.33 115.05 1kx7 n VAL 39 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 1kx7 n VAL 39 Cb 0.00 -0.40 0.06 0.00 -1.47 0.00 0.00 33.84 32.03 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 -3.30 0.00 0.05 -1.34 9.92 -1.26 -1.97 116.55 118.66 1kx7 n ASP 40 Ca 0.00 -0.33 0.11 0.00 -0.53 0.00 0.00 54.79 54.05 1kx7 n ASP 40 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.66 0.59 -0.09 -2.24 3.02 -1.26 -3.92 115.26 110.69 1kx7 n ASN 41 Ca 0.02 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.50 1kx7 n ASN 41 Cb 0.01 0.86 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 1kx7 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kx7 n LEU 42 N -2.32 2.86 -0.24 3.41 7.99 -0.83 -4.07 117.00 123.79 1kx7 n LEU 42 Ca 0.00 -0.07 0.19 0.00 -0.01 0.00 0.00 56.01 56.12 1kx7 n LEU 42 Cb 0.51 -0.61 0.51 0.00 -0.11 0.00 0.00 43.42 43.71 1kx7 n LEU 42 CO 0.41 0.77 1.22 1.62 -1.51 0.00 0.00 177.39 179.90 1kx7 h VAL 43 N -0.05 0.69 -0.31 4.08 3.04 -1.77 0.13 116.25 122.05 1kx7 h VAL 43 Ca -0.40 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1kx7 h VAL 43 Cb 1.60 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1kx7 h VAL 43 CO -0.08 0.08 0.15 0.07 -1.01 0.00 0.00 177.57 176.78 1kx7 h LYS 44 N 0.42 0.45 -0.14 4.17 2.10 -1.76 -1.83 116.57 119.97 1kx7 h LYS 44 Ca 0.47 -0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.97 1kx7 h LYS 44 Cb 1.14 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 1kx7 h LYS 44 CO -0.18 0.42 -0.29 0.77 -2.00 0.00 0.00 179.45 178.17 1kx7 h SER 45 N 0.38 0.27 0.65 7.07 0.02 -1.00 -0.83 113.55 120.11 1kx7 h SER 45 Ca 0.11 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1kx7 h SER 45 Cb 0.11 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1kx7 h SER 45 CO -0.01 0.56 -0.41 0.58 -1.14 0.00 0.00 176.83 176.41 1kx7 h VAL 46 N 0.24 0.18 -0.46 2.27 2.07 -0.77 -0.95 116.25 118.83 1kx7 h VAL 46 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 1kx7 h VAL 46 Cb 0.64 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1kx7 h VAL 46 CO 0.05 0.00 0.32 0.07 0.02 0.00 0.00 177.57 178.03 1kx7 h LYS 47 N -1.00 0.16 -0.06 1.57 2.10 -1.09 0.33 116.57 118.58 1kx7 h LYS 47 Ca -0.08 -0.01 -0.14 0.00 -2.00 0.00 0.00 60.65 58.42 1kx7 h LYS 47 Cb 0.81 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1kx7 h LYS 47 CO 0.08 0.11 -0.59 0.00 -2.00 0.00 0.00 179.45 177.05 1kx7 h THR 48 N 0.16 1.39 -3.09 0.07 1.03 -0.73 -3.21 112.91 108.53 1kx7 h THR 48 Ca 0.22 -1.96 0.00 0.00 -0.01 0.00 0.00 66.41 64.66 1kx7 h THR 48 Cb 0.64 2.00 -0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1kx7 h THR 48 CO -0.03 0.57 -0.06 0.61 -0.01 0.00 0.00 175.52 176.61 1kx7 n GLY 49 N 0.21 -2.96 3.54 2.99 0.00 -0.40 -4.77 105.19 103.81 1kx7 n GLY 49 Ca -0.02 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1kx7 n GLY 49 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kx7 s LEU 50 N -0.05 1.10 0.14 0.99 2.96 -1.12 -4.82 118.68 117.87 1kx7 s LEU 50 Ca -0.01 1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 55.08 1kx7 s LEU 50 Cb 0.00 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1kx7 s LEU 50 CO 0.03 -3.91 1.57 0.78 -1.32 0.00 0.00 176.35 173.51 1kx7 h ASN 51 N -2.42 -1.45 -0.52 3.68 2.35 -1.97 0.15 115.58 115.39 1kx7 h ASN 51 Ca -0.59 0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.29 1kx7 h ASN 51 Cb 1.33 0.60 -0.04 0.00 0.05 0.00 0.00 38.32 40.26 1kx7 h ASN 51 CO 0.52 -0.42 0.08 0.00 -1.65 0.00 0.00 177.43 175.96 1kx7 n ALA 52 N -3.00 3.84 -3.42 -0.83 0.00 -1.26 -4.92 120.51 110.92 1kx7 n ALA 52 Ca -0.03 -1.67 -0.26 0.00 0.00 0.00 0.00 53.44 51.47 1kx7 n ALA 52 Cb 0.36 -1.14 -0.17 0.00 0.00 0.00 0.00 19.45 18.50 1kx7 n ALA 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1kx7 s MET 53 N -2.47 2.01 0.82 0.00 0.00 0.52 -5.06 119.30 115.12 1kx7 s MET 53 Ca 0.45 -0.52 -0.12 0.00 0.00 0.00 0.00 55.69 55.50 1kx7 s MET 53 Cb 0.35 -1.62 0.09 0.00 0.00 0.00 0.00 34.83 33.65 1kx7 s MET 53 CO 0.12 0.05 1.15 -1.25 0.00 0.00 0.00 175.02 175.10 1kx7 s PRO 54 N 0.62 1.66 0.30 4.11 0.04 -1.26 -2.79 135.00 137.68 1kx7 s PRO 54 Ca -0.15 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1kx7 s PRO 54 Cb -0.16 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 1kx7 s PRO 54 CO 0.04 -2.15 1.55 -0.35 0.04 0.00 0.00 177.00 176.13 1kx7 n PRO 55 N -3.57 2.61 -1.25 0.56 -0.04 -1.26 -0.74 135.00 131.30 1kx7 n PRO 55 Ca 0.12 0.92 -0.09 0.00 -0.04 0.00 0.00 63.50 64.42 1kx7 n PRO 55 Cb 0.52 -2.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.26 1kx7 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kx7 n GLY 56 N 1.95 0.97 3.06 0.55 0.00 0.11 -2.72 105.19 109.10 1kx7 n GLY 56 Ca 0.08 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.85 -0.51 1.53 -0.02 0.00 0.08 -2.23 105.19 103.19 1kx7 n GLY 57 Ca -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.78 -0.89 -3.94 1.61 1.56 -1.10 -4.24 117.12 106.34 1kx7 n MET 58 Ca -0.09 0.10 -0.29 0.00 -0.27 0.00 0.00 57.70 57.15 1kx7 n MET 58 Cb 0.60 -2.91 -0.04 0.00 2.15 0.00 0.00 33.22 33.02 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 -0.04 0.00 -3.32 0.00 -2.24 -1.26 -4.81 114.28 102.61 1kx7 n THR 60 Ca -0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 1kx7 n THR 60 Cb 0.52 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1kx7 n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kx7 n ASP 61 N -0.24 5.21 -4.20 3.42 9.92 -1.26 -5.00 116.55 124.39 1kx7 n ASP 61 Ca 0.00 -3.26 -0.27 0.00 -0.53 0.00 0.00 54.79 50.73 1kx7 n ASP 61 Cb 0.00 -1.14 -0.16 0.00 -0.64 0.00 0.00 41.12 39.19 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kx7 s THR 63 N -0.43 3.62 0.23 0.00 2.01 -1.26 -4.91 115.64 114.91 1kx7 s THR 63 Ca 0.07 -1.37 0.05 0.00 0.31 0.00 0.00 61.69 60.74 1kx7 s THR 63 Cb -0.08 -2.78 0.29 0.00 0.01 0.00 0.00 72.50 69.94 1kx7 s THR 63 CO -0.00 -0.04 1.13 0.47 -0.69 0.00 0.00 174.62 175.49 1kx7 n ASP 64 N 0.14 -0.00 -0.35 3.53 9.92 -1.26 -0.54 116.55 127.98 1kx7 n ASP 64 Ca -0.11 1.22 -0.06 0.00 -0.53 0.00 0.00 54.79 55.31 1kx7 n ASP 64 Cb 0.54 -0.48 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1kx7 n ASP 64 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1kx7 h GLU 65 N 0.00 -0.05 0.19 -1.24 4.11 -1.99 0.27 114.58 115.87 1kx7 h GLU 65 Ca 0.48 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.67 1kx7 h GLU 65 Cb 1.07 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.37 1kx7 h GLU 65 CO -0.65 -0.04 -1.09 -0.44 0.07 0.00 0.00 179.01 176.86 1kx7 h ASP 66 N -0.06 0.62 -0.43 3.06 5.19 -1.16 -2.90 116.42 120.74 1kx7 h ASP 66 Ca 0.24 -0.94 0.06 0.00 -0.62 0.00 0.00 57.03 55.77 1kx7 h ASP 66 Cb 0.52 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 1kx7 h ASP 66 CO -0.90 1.53 0.11 1.88 -3.12 0.00 0.00 179.24 178.74 1kx7 h TYR 67 N -0.16 0.19 0.13 4.55 0.05 -0.73 0.27 116.97 121.26 1kx7 h TYR 67 Ca -0.19 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1kx7 h TYR 67 Cb 1.86 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.58 1kx7 h TYR 67 CO 0.17 0.04 -0.06 1.57 -1.05 0.00 0.00 178.16 178.83 1kx7 h LYS 68 N 0.25 -0.17 -0.91 4.88 2.10 -0.62 -2.82 116.57 119.30 1kx7 h LYS 68 Ca 0.20 0.01 0.21 0.00 -2.00 0.00 0.00 60.65 59.08 1kx7 h LYS 68 Cb 0.23 0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 31.53 1kx7 h LYS 68 CO -0.24 0.22 0.60 0.00 -2.00 0.00 0.00 179.45 178.03 1kx7 h ALA 69 N 0.18 2.27 0.01 0.07 0.00 -1.27 0.31 119.26 120.83 1kx7 h ALA 69 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kx7 h ALA 69 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kx7 h ALA 69 CO 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 179.25 178.72 1kx7 h ALA 70 N 1.61 -0.01 -0.51 0.00 0.00 -0.34 0.26 119.26 120.27 1kx7 h ALA 70 Ca 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1kx7 h ALA 70 Cb 1.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1kx7 h ALA 70 CO -0.17 -0.40 0.25 0.82 0.00 0.00 0.00 179.25 179.75 1kx7 h ILE 71 N -0.22 1.19 -0.86 0.00 2.04 -0.92 -2.87 117.51 115.87 1kx7 h ILE 71 Ca -0.00 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1kx7 h ILE 71 Cb 0.22 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1kx7 h ILE 71 CO 0.00 0.21 0.56 -0.33 0.00 0.00 0.00 178.15 178.59 1kx7 h GLU 72 N 0.67 0.90 -0.84 2.37 5.08 -0.27 -2.55 114.58 119.94 1kx7 h GLU 72 Ca 0.18 -0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 1kx7 h GLU 72 Cb 0.11 -0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.04 1kx7 h GLU 72 CO -0.02 0.60 0.35 0.35 -1.00 0.00 0.00 179.01 179.28 1kx7 h PHE 73 N 0.93 0.59 0.01 4.33 3.04 -0.24 -3.11 116.94 122.48 1kx7 h PHE 73 Ca 0.38 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.37 1kx7 h PHE 73 Cb 0.27 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1kx7 h PHE 73 CO -0.00 0.01 -0.00 0.52 -2.02 0.00 0.00 178.31 176.81 1kx7 h MET 74 N 0.43 -0.01 0.00 1.11 2.86 -1.55 -3.47 114.93 114.30 1kx7 h MET 74 Ca 0.50 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.99 1kx7 h MET 74 Cb 0.86 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.41 1kx7 h MET 74 CO -0.48 -0.00 -0.14 0.45 1.06 0.00 0.00 176.91 177.80 1kx7 n SER 75 N -2.05 -1.36 -4.03 1.22 2.88 -1.16 -5.00 113.62 104.11 1kx7 n SER 75 Ca -0.00 -2.00 -0.41 0.00 -1.33 0.00 0.00 58.87 55.13 1kx7 n SER 75 Cb 0.00 0.82 0.02 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.71 -0.35 0.00 -1.46 2.85 -1.13 -4.73 118.16 112.63 1kx7 n LYS 76 Ca -0.13 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1kx7 n LYS 76 Cb 0.76 -2.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 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 -4.52 0.00 0.74 0.58 0.00 -1.26 -4.58 120.51 111.48 1kx7 n ALA 77 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1kx7 n ALA 77 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.03 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86