#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 -0.84 -1.08 0.00 -1.08 -1.26 -5.06 116.67 107.34 1kx7 s ASP -2 Ca 0.00 1.27 -0.17 0.00 -0.52 0.00 0.00 52.55 53.13 1kx7 s ASP -2 Cb 0.00 1.59 -0.07 0.00 -1.46 0.00 0.00 42.92 42.97 1kx7 s ASP -2 CO 0.00 -0.19 2.10 -0.11 0.52 0.00 0.00 175.17 177.49 1kx7 n LEU -1 N 4.50 5.41 -0.00 -1.34 -0.00 -1.26 -4.26 117.00 120.05 1kx7 n LEU -1 Ca -0.17 -3.43 0.03 0.00 -0.00 0.00 0.00 56.01 52.44 1kx7 n LEU -1 Cb 0.56 -1.34 -0.05 0.00 -0.00 0.00 0.00 43.42 42.59 1kx7 n LEU -1 CO -0.02 0.37 -0.57 1.67 -0.00 0.00 0.00 177.39 178.84 1kx7 n GLN 1 N 6.33 0.24 0.00 1.96 7.27 -1.26 -5.07 117.38 126.85 1kx7 n GLN 1 Ca 0.51 -0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.53 1kx7 n GLN 1 Cb 0.37 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 31.88 1kx7 n GLN 1 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1kx7 n ASP 2 N -1.72 0.00 0.00 1.69 2.03 -1.26 -5.10 116.55 112.19 1kx7 n ASP 2 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1kx7 n ASP 2 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1kx7 n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx7 n ALA 3 N -3.00 2.04 -0.14 -1.67 0.00 -1.26 -4.56 120.51 111.91 1kx7 n ALA 3 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1kx7 n ALA 3 Cb 0.00 0.30 0.04 0.00 0.00 0.00 0.00 19.45 19.80 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 0.36 -0.09 0.00 4.81 -1.93 -0.50 114.58 117.23 1kx7 h GLU 4 Ca 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1kx7 h GLU 4 Cb 0.61 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1kx7 h GLU 4 CO 0.00 0.24 -0.31 0.00 -0.73 0.00 0.00 179.01 178.21 1kx7 h ALA 5 N 1.28 1.33 0.13 2.92 0.00 -1.92 0.75 119.26 123.74 1kx7 h ALA 5 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1kx7 h ALA 5 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kx7 h ALA 5 CO -0.19 0.47 -0.06 0.82 0.00 0.00 0.00 179.25 180.29 1kx7 h ILE 6 N 0.14 1.05 -0.46 0.00 5.03 -1.63 0.10 117.51 121.75 1kx7 h ILE 6 Ca 0.02 -0.95 -0.13 0.00 -0.12 0.00 0.00 64.86 63.68 1kx7 h ILE 6 Cb 0.62 1.62 -0.01 0.00 -3.03 0.00 0.00 36.82 36.02 1kx7 h ILE 6 CO 0.05 0.22 -0.23 0.10 -0.68 0.00 0.00 178.15 177.60 1kx7 h TYR 7 N -0.64 1.10 0.00 1.37 -0.00 -0.90 0.26 116.97 118.16 1kx7 h TYR 7 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 58.73 58.42 1kx7 h TYR 7 Cb 0.49 -0.25 -0.00 0.00 0.00 0.00 0.00 36.73 36.96 1kx7 h TYR 7 CO 0.07 1.08 -0.13 -0.97 -0.00 0.00 0.00 178.16 178.21 1kx7 h ASN 8 N 0.82 0.00 0.39 0.10 -1.24 -0.86 0.65 115.58 115.43 1kx7 h ASN 8 Ca 0.10 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.80 1kx7 h ASN 8 Cb 0.80 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.80 1kx7 h ASN 8 CO 0.07 0.13 -1.83 1.17 -1.29 0.00 0.00 177.43 175.68 1kx7 n LYS 9 N -3.34 0.65 -0.01 6.67 3.00 0.35 -4.71 118.16 120.77 1kx7 n LYS 9 Ca -0.00 0.25 -0.02 0.00 -0.00 0.00 0.00 58.31 58.54 1kx7 n LYS 9 Cb 0.34 -1.75 -0.01 0.00 0.00 0.00 0.00 35.03 33.62 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 -2.63 1.73 -0.44 3.14 0.00 0.89 -4.63 120.51 118.56 1kx7 n ALA 10 Ca -0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 1kx7 n ALA 10 Cb 1.07 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.57 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 1.73 0.01 -0.12 0.00 5.66 -1.14 -4.02 114.28 116.40 1kx7 n THR 12 Ca 0.04 -0.29 -0.25 0.00 -3.05 0.00 0.00 64.05 60.50 1kx7 n THR 12 Cb 0.43 1.42 -0.08 0.00 -1.55 0.00 0.00 70.33 70.55 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 -0.01 1.39 -0.04 1.08 0.31 -1.25 -4.48 118.33 115.34 1kx7 n VAL 13 Ca 0.00 -0.29 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1kx7 n VAL 13 Cb 0.12 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.15 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 n HIS 15 N -3.65 0.22 0.04 0.00 8.25 -1.26 0.31 115.22 119.13 1kx7 n HIS 15 Ca -0.04 0.08 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1kx7 n HIS 15 Cb 0.13 -0.62 -0.02 0.00 1.12 0.00 0.00 29.99 30.59 1kx7 n HIS 15 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1kx7 h SER 16 N 0.00 0.63 0.00 0.41 0.02 -1.79 -1.94 113.55 110.89 1kx7 h SER 16 Ca 0.00 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1kx7 h SER 16 Cb 0.38 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1kx7 h SER 16 CO 0.00 1.22 -0.74 0.80 -1.14 0.00 0.00 176.83 176.97 1kx7 n MET 17 N -3.83 0.76 -0.65 3.45 0.00 -1.11 -4.93 117.12 110.81 1kx7 n MET 17 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1kx7 n MET 17 Cb 0.77 -0.87 0.00 0.00 0.00 0.00 0.00 33.22 33.12 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 2.81 0.67 0.07 -5.12 0.00 0.15 -5.03 105.19 98.75 1kx7 n GLY 18 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 0.46 -0.15 1.61 2.07 -1.84 -3.35 116.25 115.05 1kx7 h VAL 19 Ca 0.00 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.01 1kx7 h VAL 19 Cb 0.43 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1kx7 h VAL 19 CO 0.00 0.16 0.11 0.00 0.02 0.00 0.00 177.57 177.86 1kx7 n ALA 20 N -3.11 3.43 -1.65 1.67 0.00 -1.26 -4.73 120.51 114.86 1kx7 n ALA 20 Ca -0.09 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.70 1kx7 n ALA 20 Cb 0.27 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 0.53 1.34 3.76 0.00 0.00 -1.25 -4.96 105.19 104.61 1kx7 n GLY 21 Ca 0.09 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.68 3.60 0.22 4.61 0.00 -1.26 -4.95 121.76 121.30 1kx7 s ALA 22 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1kx7 s ALA 22 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1kx7 s ALA 22 CO 0.00 -0.88 1.28 -1.25 0.00 0.00 0.00 175.76 174.90 1kx7 s PRO 23 N -1.34 4.42 0.21 0.00 0.04 -1.26 -4.53 135.00 132.54 1kx7 s PRO 23 Ca 0.55 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.30 1kx7 s PRO 23 Cb -0.44 -3.19 -0.14 0.00 0.04 0.00 0.00 34.50 30.77 1kx7 s PRO 23 CO 0.54 -0.19 1.40 1.63 0.04 0.00 0.00 177.00 180.42 1kx7 n LYS 24 N 2.29 1.88 0.14 4.56 5.02 -1.26 -4.71 118.16 126.08 1kx7 n LYS 24 Ca 0.05 0.67 0.08 0.00 -2.02 0.00 0.00 58.31 57.08 1kx7 n LYS 24 Cb 0.43 -2.32 0.40 0.00 -0.02 0.00 0.00 35.03 33.52 1kx7 n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1kx7 n SER 25 N 2.37 0.38 -2.72 4.39 3.41 -0.73 -2.58 113.62 118.14 1kx7 n SER 25 Ca 0.13 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.31 1kx7 n SER 25 Cb 0.29 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.69 1kx7 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kx7 n HIS 26 N -2.04 0.18 -1.66 7.33 -0.00 -1.26 -4.78 115.22 112.99 1kx7 n HIS 26 Ca -0.01 -2.31 -0.29 0.00 -0.00 0.00 0.00 57.72 55.11 1kx7 n HIS 26 Cb 0.18 0.24 0.10 0.00 -0.00 0.00 0.00 29.99 30.51 1kx7 n HIS 26 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1kx7 s ASN 27 N -2.76 4.21 -0.13 4.39 3.84 -1.07 -5.03 114.94 118.39 1kx7 s ASN 27 Ca 0.24 1.04 0.05 0.00 0.21 0.00 0.00 52.86 54.39 1kx7 s ASN 27 Cb 0.41 -1.66 -0.11 0.00 -0.55 0.00 0.00 41.25 39.33 1kx7 s ASN 27 CO -0.03 -2.12 -0.05 1.07 -2.79 0.00 0.00 177.10 173.18 1kx7 n THR 28 N -3.49 0.78 0.22 -5.21 5.66 -1.26 -4.52 114.28 106.46 1kx7 n THR 28 Ca 0.07 -0.38 0.11 0.00 -3.05 0.00 0.00 64.05 60.80 1kx7 n THR 28 Cb 0.59 -0.87 0.25 0.00 -1.55 0.00 0.00 70.33 68.74 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kx7 h ALA 29 N 0.24 0.95 0.00 1.79 0.00 -2.00 0.26 119.26 120.50 1kx7 h ALA 29 Ca -0.31 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 1kx7 h ALA 29 Cb 1.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1kx7 h ALA 29 CO -0.02 0.13 -0.89 0.22 0.00 0.00 0.00 179.25 178.69 1kx7 h ASP 30 N 0.00 0.00 0.15 0.00 1.82 -1.96 -3.37 116.42 113.06 1kx7 h ASP 30 Ca -0.00 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.28 1kx7 h ASP 30 Cb 0.97 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.93 1kx7 h ASP 30 CO 0.01 0.67 -2.13 0.79 -1.61 0.00 0.00 179.24 176.97 1kx7 n TRP 31 N -3.17 0.66 -0.19 0.28 7.02 -0.87 -4.45 117.44 116.71 1kx7 n TRP 31 Ca -0.02 0.17 -0.09 0.00 -1.02 0.00 0.00 57.50 56.54 1kx7 n TRP 31 Cb 0.83 -1.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.58 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 -0.24 -0.88 -0.99 5.08 -0.66 0.23 114.58 117.15 1kx7 h GLU 32 Ca -0.46 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1kx7 h GLU 32 Cb 2.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1kx7 h GLU 32 CO 0.03 -0.16 0.00 -0.35 -1.00 0.00 0.00 179.01 177.53 1kx7 n PRO 33 N -5.40 0.82 0.00 2.33 -0.04 -1.26 -2.66 135.00 128.79 1kx7 n PRO 33 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1kx7 n PRO 33 Cb 0.35 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.17 0.00 0.33 0.54 5.12 0.07 -4.74 116.66 118.15 1kx7 n ARG 34 Ca 0.00 0.00 0.21 0.00 -1.93 0.00 0.00 57.85 56.13 1kx7 n ARG 34 Cb 0.24 -0.47 1.14 0.00 -1.16 0.00 0.00 32.46 32.21 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 0.00 0.00 0.00 0.55 6.46 -0.57 -1.05 115.31 120.70 1kx7 h LEU 35 Ca 0.00 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.58 1kx7 h LEU 35 Cb 0.73 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1kx7 h LEU 35 CO 0.00 0.00 -0.88 0.00 -0.62 0.00 0.00 178.44 176.94 1kx7 h ALA 36 N 1.92 0.46 0.03 1.25 0.00 -1.75 -3.29 119.26 117.89 1kx7 h ALA 36 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1kx7 h ALA 36 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1kx7 h ALA 36 CO 0.00 1.07 -0.02 0.87 0.00 0.00 0.00 179.25 181.17 1kx7 h LYS 37 N 0.00 -0.04 0.00 0.00 1.79 -1.49 -3.51 116.57 113.32 1kx7 h LYS 37 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1kx7 h LYS 37 Cb 1.66 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1kx7 h LYS 37 CO 0.11 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.51 1kx7 n GLY 38 N 0.92 -0.54 2.03 3.86 0.00 -1.05 -5.01 105.19 105.40 1kx7 n GLY 38 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.54 1.61 0.24 -1.26 -4.25 118.33 115.21 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 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -3.16 0.30 -0.01 -1.34 9.92 -1.26 -1.99 116.55 119.00 1kx7 n ASP 40 Ca 0.00 -0.85 0.05 0.00 -0.53 0.00 0.00 54.79 53.46 1kx7 n ASP 40 Cb 0.00 -0.15 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 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 0.06 0.18 -0.10 -2.24 3.02 -1.26 -4.09 115.26 110.83 1kx7 n ASN 41 Ca 0.00 0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.46 1kx7 n ASN 41 Cb 0.08 1.40 -0.09 0.00 -0.61 0.00 0.00 39.78 40.56 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 -2.49 2.53 -0.13 3.41 7.99 -0.84 -4.02 117.00 123.45 1kx7 n LEU 42 Ca -0.11 0.01 0.17 0.00 -0.01 0.00 0.00 56.01 56.06 1kx7 n LEU 42 Cb 0.74 -0.69 0.55 0.00 -0.11 0.00 0.00 43.42 43.91 1kx7 n LEU 42 CO 0.44 0.72 1.20 1.62 -1.51 0.00 0.00 177.39 179.87 1kx7 h VAL 43 N -0.24 0.78 -0.51 4.08 3.04 -1.81 0.96 116.25 122.55 1kx7 h VAL 43 Ca -0.48 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 1kx7 h VAL 43 Cb 1.63 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.32 1kx7 h VAL 43 CO -0.15 0.06 0.18 0.07 -1.01 0.00 0.00 177.57 176.71 1kx7 h LYS 44 N 0.32 0.78 -0.26 4.17 2.10 -1.75 -1.91 116.57 120.01 1kx7 h LYS 44 Ca 0.34 -0.16 -0.08 0.00 -2.00 0.00 0.00 60.65 58.76 1kx7 h LYS 44 Cb 0.90 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.10 1kx7 h LYS 44 CO -0.09 0.71 -0.18 0.77 -2.00 0.00 0.00 179.45 178.66 1kx7 h SER 45 N 0.69 0.44 0.26 7.07 0.02 -1.05 -1.82 113.55 119.16 1kx7 h SER 45 Ca 0.17 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1kx7 h SER 45 Cb 0.24 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1kx7 h SER 45 CO -0.01 0.64 -0.27 0.58 -1.14 0.00 0.00 176.83 176.64 1kx7 h VAL 46 N 0.41 0.43 -0.66 2.27 2.07 -0.69 0.57 116.25 120.66 1kx7 h VAL 46 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1kx7 h VAL 46 Cb 0.55 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1kx7 h VAL 46 CO 0.04 0.00 0.43 0.07 0.02 0.00 0.00 177.57 178.13 1kx7 h LYS 47 N -0.56 0.58 -0.17 1.57 2.10 -1.16 0.36 116.57 119.29 1kx7 h LYS 47 Ca -0.01 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1kx7 h LYS 47 Cb 0.52 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1kx7 h LYS 47 CO -0.06 0.38 -0.58 1.15 -2.00 0.00 0.00 179.45 178.34 1kx7 h THR 48 N 0.59 1.33 -2.48 0.07 2.02 -0.75 -2.92 112.91 110.77 1kx7 h THR 48 Ca 0.29 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1kx7 h THR 48 Cb 0.38 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1kx7 h THR 48 CO -0.09 0.57 0.00 0.61 0.37 0.00 0.00 175.52 176.98 1kx7 n GLY 49 N 0.31 -2.38 3.47 2.16 0.00 0.14 -4.68 105.19 104.20 1kx7 n GLY 49 Ca -0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.71 0.14 0.99 2.96 -1.15 -4.82 118.68 117.51 1kx7 s LEU 50 Ca 0.00 1.55 -0.27 0.00 -0.22 0.00 0.00 54.13 55.19 1kx7 s LEU 50 Cb 0.00 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1kx7 s LEU 50 CO 0.00 -4.36 1.59 0.78 -1.32 0.00 0.00 176.35 173.04 1kx7 h ASN 51 N -2.73 -1.16 -0.46 3.68 2.35 -1.98 0.97 115.58 116.26 1kx7 h ASN 51 Ca -0.63 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.27 1kx7 h ASN 51 Cb 1.34 0.49 -0.01 0.00 0.05 0.00 0.00 38.32 40.19 1kx7 h ASN 51 CO 0.50 -0.39 0.02 0.00 -1.65 0.00 0.00 177.43 175.91 1kx7 n ALA 52 N -2.91 3.63 -3.41 -0.83 0.00 -1.26 -4.91 120.51 110.82 1kx7 n ALA 52 Ca -0.03 -1.50 -0.24 0.00 0.00 0.00 0.00 53.44 51.66 1kx7 n ALA 52 Cb 0.34 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.37 1.62 0.79 0.00 0.00 0.34 -5.04 119.30 114.64 1kx7 s MET 53 Ca 0.42 -0.40 -0.12 0.00 0.00 0.00 0.00 55.69 55.59 1kx7 s MET 53 Cb 0.32 -1.35 0.08 0.00 0.00 0.00 0.00 34.83 33.87 1kx7 s MET 53 CO 0.12 0.04 1.15 -1.25 0.00 0.00 0.00 175.02 175.08 1kx7 s PRO 54 N 0.61 1.85 0.33 4.11 0.04 -1.26 -2.93 135.00 137.74 1kx7 s PRO 54 Ca -0.13 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1kx7 s PRO 54 Cb -0.15 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1kx7 s PRO 54 CO 0.03 -2.01 1.57 -1.25 0.04 0.00 0.00 177.00 175.38 1kx7 s PRO 55 N -4.39 4.10 -1.69 0.56 0.04 -1.26 -1.39 135.00 130.98 1kx7 s PRO 55 Ca 0.68 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.32 1kx7 s PRO 55 Cb -0.24 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1kx7 s PRO 55 CO 0.51 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1kx7 n GLY 56 N 1.50 0.06 3.11 0.56 0.00 0.12 -2.84 105.19 107.71 1kx7 n GLY 56 Ca 0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.95 -0.49 2.23 -0.02 0.00 -0.49 -0.94 105.19 104.54 1kx7 n GLY 57 Ca -0.22 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.38 -3.20 0.02 1.61 1.56 -1.13 -4.30 117.12 108.30 1kx7 n MET 58 Ca -0.03 0.37 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 1kx7 n MET 58 Cb 0.55 -3.99 0.00 0.00 2.15 0.00 0.00 33.22 31.92 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 -3.03 0.00 -1.39 0.00 -1.04 -1.25 -4.44 114.28 103.13 1kx7 n THR 60 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1kx7 n THR 60 Cb 0.27 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.71 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 2.04 7.12 -4.47 8.00 2.03 -1.26 -4.87 116.55 125.15 1kx7 n ASP 61 Ca 0.00 -2.78 -0.32 0.00 0.52 0.00 0.00 54.79 52.20 1kx7 n ASP 61 Cb 0.00 -1.41 -0.13 0.00 -0.72 0.00 0.00 41.12 38.85 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 -0.75 5.14 0.36 0.00 2.01 -1.26 -4.89 115.64 116.26 1kx7 s THR 63 Ca 0.12 -0.30 0.19 0.00 0.31 0.00 0.00 61.69 62.00 1kx7 s THR 63 Cb -0.11 -3.40 0.35 0.00 0.01 0.00 0.00 72.50 69.35 1kx7 s THR 63 CO 0.01 0.30 1.61 0.44 -0.69 0.00 0.00 174.62 176.29 1kx7 h ASP 64 N 3.80 0.39 -0.47 3.53 3.32 -2.01 0.19 116.42 125.18 1kx7 h ASP 64 Ca -0.48 0.23 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1kx7 h ASP 64 Cb 1.18 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 1kx7 h ASP 64 CO 0.67 -0.31 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.18 1kx7 h GLU 65 N 0.13 -0.11 -0.13 3.56 4.39 -1.98 0.30 114.58 120.73 1kx7 h GLU 65 Ca 0.80 0.01 -0.23 0.00 0.34 0.00 0.00 59.36 60.28 1kx7 h GLU 65 Cb 2.04 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 30.73 1kx7 h GLU 65 CO -0.69 -0.08 -0.82 -0.44 -1.16 0.00 0.00 179.01 175.82 1kx7 h ASP 66 N -0.12 0.95 0.77 1.42 5.19 -1.20 -0.88 116.42 122.54 1kx7 h ASP 66 Ca 0.08 -0.65 -0.03 0.00 -0.62 0.00 0.00 57.03 55.81 1kx7 h ASP 66 Cb 0.32 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1kx7 h ASP 66 CO -0.50 1.44 -0.46 1.88 -3.12 0.00 0.00 179.24 178.49 1kx7 h TYR 67 N 0.52 -1.21 -0.40 4.55 0.05 -0.63 0.25 116.97 120.09 1kx7 h TYR 67 Ca -0.06 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.72 1kx7 h TYR 67 Cb 1.45 0.43 -0.03 0.00 1.01 0.00 0.00 36.73 39.59 1kx7 h TYR 67 CO 0.09 -0.69 0.24 1.57 -1.05 0.00 0.00 178.16 178.32 1kx7 h LYS 68 N -1.14 0.47 -0.32 4.88 2.10 -0.47 0.12 116.57 122.21 1kx7 h LYS 68 Ca -0.10 -0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.61 1kx7 h LYS 68 Cb 0.91 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1kx7 h LYS 68 CO 0.11 0.31 0.32 0.00 -2.00 0.00 0.00 179.45 178.20 1kx7 h ALA 69 N 1.17 2.04 -0.00 0.07 0.00 -1.00 0.24 119.26 121.78 1kx7 h ALA 69 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1kx7 h ALA 69 Cb -0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kx7 h ALA 69 CO -0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 179.25 178.40 1kx7 n ALA 70 N -2.39 3.13 -0.08 0.00 0.00 0.40 -1.56 120.51 120.01 1kx7 n ALA 70 Ca 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1kx7 n ALA 70 Cb 0.48 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1kx7 n ALA 70 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1kx7 n ILE 71 N -0.98 0.93 -0.35 0.00 0.00 -0.68 -4.64 119.36 113.65 1kx7 n ILE 71 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 62.75 62.53 1kx7 n ILE 71 Cb 0.33 -1.09 0.17 0.00 0.00 0.00 0.00 39.64 39.05 1kx7 n ILE 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1kx7 h GLU 72 N -0.02 1.04 -0.92 9.51 -0.00 -0.63 -1.50 114.58 122.07 1kx7 h GLU 72 Ca -0.36 -0.06 0.18 0.00 -0.00 0.00 0.00 59.36 59.11 1kx7 h GLU 72 Cb 1.56 -0.23 -0.08 0.00 -0.00 0.00 0.00 28.75 30.00 1kx7 h GLU 72 CO -0.06 0.69 0.59 0.35 -0.00 0.00 0.00 179.01 180.58 1kx7 h PHE 73 N 1.07 0.75 0.10 2.06 3.57 -1.50 -2.89 116.94 120.09 1kx7 h PHE 73 Ca 0.42 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 1kx7 h PHE 73 Cb 0.22 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1kx7 h PHE 73 CO -0.02 0.22 -0.05 0.52 -2.23 0.00 0.00 178.31 176.76 1kx7 h MET 74 N 0.59 -0.12 0.00 1.11 2.86 -1.55 -3.47 114.93 114.35 1kx7 h MET 74 Ca 0.48 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 58.03 1kx7 h MET 74 Cb 0.94 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.54 1kx7 h MET 74 CO -0.23 -0.08 -0.19 0.45 1.06 0.00 0.00 176.91 177.92 1kx7 n SER 75 N -3.19 -0.84 -4.07 1.22 2.88 -0.99 -4.98 113.62 103.65 1kx7 n SER 75 Ca -0.02 -1.60 -0.29 0.00 -1.33 0.00 0.00 58.87 55.63 1kx7 n SER 75 Cb 0.05 0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.56 -0.84 0.00 -1.46 2.85 -1.11 -4.81 118.16 112.23 1kx7 n LYS 76 Ca -0.15 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1kx7 n LYS 76 Cb 0.66 -2.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.13 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 -4.18 1.60 0.30 0.58 0.00 -1.26 -4.62 120.51 112.93 1kx7 n ALA 77 Ca -0.25 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.22 1kx7 n ALA 77 Cb 0.59 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.07 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86