#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 -0.73 0.00 0.00 -1.08 -1.26 -5.05 116.67 108.55 1kx7 s ASP -2 Ca 0.00 1.04 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 1kx7 s ASP -2 Cb 0.00 1.71 0.00 0.00 -1.46 0.00 0.00 42.92 43.17 1kx7 s ASP -2 CO 0.00 -0.15 1.37 0.00 0.52 0.00 0.00 175.17 176.91 1kx7 n LEU -1 N 4.79 3.69 -0.05 -1.34 -0.00 -1.26 -4.05 117.00 118.78 1kx7 n LEU -1 Ca -0.12 -1.68 -0.02 0.00 -0.00 0.00 0.00 56.01 54.19 1kx7 n LEU -1 Cb 0.53 -0.77 -0.15 0.00 -0.00 0.00 0.00 43.42 43.03 1kx7 n LEU -1 CO -0.03 0.69 -0.92 0.00 -0.00 0.00 0.00 177.39 177.14 1kx7 n GLN 1 N 1.52 0.67 -3.74 1.47 1.13 -1.26 -4.86 117.38 112.31 1kx7 n GLN 1 Ca 0.00 -0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.86 1kx7 n GLN 1 Cb 0.36 -1.56 -0.16 0.00 0.11 0.00 0.00 30.24 29.00 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 -5.22 0.26 0.34 1.08 2.15 -1.26 -5.04 116.67 108.99 1kx7 s ASP 2 Ca -0.08 0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.06 1kx7 s ASP 2 Cb 0.09 0.02 0.61 0.00 -0.30 0.00 0.00 42.92 43.34 1kx7 s ASP 2 CO 0.85 -0.17 1.97 0.00 -0.17 0.00 0.00 175.17 177.66 1kx7 h ALA 3 N 7.57 1.56 -0.14 3.66 0.00 -1.89 0.16 119.26 130.19 1kx7 h ALA 3 Ca -0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1kx7 h ALA 3 Cb 1.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1kx7 h ALA 3 CO 0.38 0.37 0.07 1.49 0.00 0.00 0.00 179.25 181.56 1kx7 h GLU 4 N 0.91 0.20 -0.06 0.00 4.81 -1.92 -1.16 114.58 117.36 1kx7 h GLU 4 Ca 0.29 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1kx7 h GLU 4 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1kx7 h GLU 4 CO -0.08 0.23 -0.27 0.00 -0.73 0.00 0.00 179.01 178.16 1kx7 h ALA 5 N 0.96 1.43 0.20 2.92 0.00 -1.76 0.23 119.26 123.24 1kx7 h ALA 5 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1kx7 h ALA 5 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kx7 h ALA 5 CO -0.01 0.41 -0.10 0.82 0.00 0.00 0.00 179.25 180.38 1kx7 h ILE 6 N 0.10 0.89 -0.47 0.00 1.08 -0.51 0.28 117.51 118.88 1kx7 h ILE 6 Ca 0.02 -0.57 -0.13 0.00 -0.39 0.00 0.00 64.86 63.78 1kx7 h ILE 6 Cb 0.54 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1kx7 h ILE 6 CO 0.04 0.13 -0.22 0.10 -0.69 0.00 0.00 178.15 177.50 1kx7 h TYR 7 N -0.56 1.11 0.00 1.37 -0.00 -0.48 0.26 116.97 118.67 1kx7 h TYR 7 Ca -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 58.73 58.41 1kx7 h TYR 7 Cb 0.42 -0.26 -0.00 0.00 0.00 0.00 0.00 36.73 36.88 1kx7 h TYR 7 CO 0.02 1.08 -0.11 -0.97 -0.00 0.00 0.00 178.16 178.18 1kx7 h ASN 8 N 0.83 0.00 0.26 0.10 -1.24 -0.59 0.24 115.58 115.18 1kx7 h ASN 8 Ca 0.11 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.88 1kx7 h ASN 8 Cb 0.79 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.80 1kx7 h ASN 8 CO 0.07 0.11 -1.96 1.17 -1.29 0.00 0.00 177.43 175.53 1kx7 n LYS 9 N -3.29 0.66 0.00 6.67 3.00 0.09 -4.73 118.16 120.55 1kx7 n LYS 9 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1kx7 n LYS 9 Cb 0.34 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.73 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 -2.54 0.73 -0.50 3.14 0.00 0.89 -4.68 120.51 117.55 1kx7 n ALA 10 Ca -0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 1kx7 n ALA 10 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 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 1.79 0.00 -0.11 0.00 5.66 -1.13 -4.16 114.28 116.33 1kx7 n THR 12 Ca 0.07 -0.31 -0.20 0.00 -3.05 0.00 0.00 64.05 60.56 1kx7 n THR 12 Cb 0.48 1.17 -0.08 0.00 -1.55 0.00 0.00 70.33 70.36 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 -0.34 1.51 -0.09 1.08 0.31 -1.25 -4.35 118.33 115.19 1kx7 n VAL 13 Ca 0.00 -0.10 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1kx7 n VAL 13 Cb 0.04 -2.09 -0.06 0.00 -0.91 0.00 0.00 33.84 30.82 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 -1.00 0.00 -0.03 0.00 -0.00 -1.79 0.41 115.15 112.74 1kx7 h HIS 15 Ca -0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1kx7 h HIS 15 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1kx7 h HIS 15 CO -0.13 0.00 0.01 1.03 -0.00 0.00 0.00 177.93 178.84 1kx7 h SER 16 N 0.00 0.04 0.00 2.45 0.87 -1.76 -1.06 113.55 114.09 1kx7 h SER 16 Ca 0.00 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.27 1kx7 h SER 16 Cb 0.63 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1kx7 h SER 16 CO 0.00 0.21 -1.51 0.80 -0.53 0.00 0.00 176.83 175.81 1kx7 n MET 17 N -4.97 2.01 -1.13 2.24 1.56 -1.22 -4.64 117.12 110.97 1kx7 n MET 17 Ca -0.07 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.34 1kx7 n MET 17 Cb 0.12 -1.21 0.00 0.00 2.15 0.00 0.00 33.22 34.28 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 2.37 0.85 0.06 -5.12 0.00 0.14 -5.02 105.19 98.48 1kx7 n GLY 18 Ca -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 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 0.28 -0.13 1.61 2.07 -1.81 -3.34 116.25 114.94 1kx7 h VAL 19 Ca 0.00 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1kx7 h VAL 19 Cb 0.72 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1kx7 h VAL 19 CO 0.00 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.77 1kx7 n ALA 20 N -2.97 3.18 -1.82 1.67 0.00 -1.26 -4.72 120.51 114.59 1kx7 n ALA 20 Ca -0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1kx7 n ALA 20 Cb 0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 0.47 0.91 3.77 0.00 0.00 -1.25 -4.99 105.19 104.09 1kx7 n GLY 21 Ca 0.08 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.73 3.05 0.39 4.61 0.00 -1.26 -4.99 121.76 120.82 1kx7 s ALA 22 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 1kx7 s ALA 22 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1kx7 s ALA 22 CO 0.00 -0.75 1.08 -1.25 0.00 0.00 0.00 175.76 174.84 1kx7 s PRO 23 N -2.55 4.18 0.31 0.00 0.04 -1.26 -4.32 135.00 131.41 1kx7 s PRO 23 Ca 0.62 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 1kx7 s PRO 23 Cb -0.32 -2.65 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 1kx7 s PRO 23 CO 0.40 -0.15 1.38 0.15 0.04 0.00 0.00 177.00 178.81 1kx7 s LYS 24 N -2.33 4.29 0.00 4.56 1.02 -1.26 -4.51 119.74 121.51 1kx7 s LYS 24 Ca 0.56 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.84 1kx7 s LYS 24 Cb -0.25 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1kx7 s LYS 24 CO 0.32 -0.31 0.00 0.43 -0.92 0.00 0.00 175.35 174.86 1kx7 n SER 25 N 1.27 0.00 -2.80 2.83 7.64 -0.40 -1.31 113.62 120.85 1kx7 n SER 25 Ca 0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 1kx7 n SER 25 Cb 0.41 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1kx7 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kx7 n HIS 26 N -3.92 0.04 -1.27 1.43 -0.00 -1.26 -4.66 115.22 105.58 1kx7 n HIS 26 Ca 0.00 -2.85 -0.36 0.00 -0.00 0.00 0.00 57.72 54.52 1kx7 n HIS 26 Cb 0.00 0.08 0.08 0.00 -0.00 0.00 0.00 29.99 30.15 1kx7 n HIS 26 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1kx7 n ASN 27 N -0.04 -0.56 -0.11 4.39 3.02 -0.43 -4.97 115.26 116.56 1kx7 n ASN 27 Ca 0.11 0.61 -0.14 0.00 -0.03 0.00 0.00 54.58 55.13 1kx7 n ASN 27 Cb 0.78 -1.29 -0.13 0.00 -0.61 0.00 0.00 39.78 38.52 1kx7 n ASN 27 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1kx7 n THR 28 N -2.50 1.40 0.11 3.41 -1.04 -1.26 -4.27 114.28 110.13 1kx7 n THR 28 Ca 0.11 -0.68 0.05 0.00 -2.04 0.00 0.00 64.05 61.49 1kx7 n THR 28 Cb 0.50 -0.99 0.01 0.00 -1.82 0.00 0.00 70.33 68.03 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 0.43 0.68 0.07 2.41 0.00 -2.00 0.41 119.26 121.27 1kx7 h ALA 29 Ca -0.55 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 53.70 1kx7 h ALA 29 Cb 2.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1kx7 h ALA 29 CO -0.04 0.48 -1.25 0.22 0.00 0.00 0.00 179.25 178.66 1kx7 h ASP 30 N 0.00 0.23 0.45 0.00 1.82 -1.98 -3.35 116.42 113.58 1kx7 h ASP 30 Ca -0.05 -0.27 -0.31 0.00 -0.39 0.00 0.00 57.03 56.02 1kx7 h ASP 30 Cb 1.30 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1kx7 h ASP 30 CO 0.04 1.21 -1.56 -0.50 -1.61 0.00 0.00 179.24 176.81 1kx7 h TRP 31 N 0.04 0.41 -0.75 0.28 4.06 -1.73 -3.39 115.95 114.87 1kx7 h TRP 31 Ca -0.12 -0.30 0.08 0.00 2.06 0.00 0.00 58.89 60.61 1kx7 h TRP 31 Cb 1.91 -0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 29.94 1kx7 h TRP 31 CO 0.04 1.37 -0.53 1.49 -3.56 0.00 0.00 178.44 177.24 1kx7 h GLU 32 N 0.06 -0.15 -0.37 0.49 4.57 -1.04 0.53 114.58 118.67 1kx7 h GLU 32 Ca -0.25 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1kx7 h GLU 32 Cb 2.01 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.63 1kx7 h GLU 32 CO 0.15 -0.10 0.00 -0.35 -1.18 0.00 0.00 179.01 177.53 1kx7 n PRO 33 N -5.34 0.66 -0.01 0.92 -0.04 -1.26 -2.62 135.00 127.31 1kx7 n PRO 33 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1kx7 n PRO 33 Cb 0.31 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.13 0.06 0.07 0.54 3.00 -0.01 -4.65 116.66 115.54 1kx7 n ARG 34 Ca 0.00 0.03 0.03 0.00 -0.01 0.00 0.00 57.85 57.90 1kx7 n ARG 34 Cb 0.09 -0.61 0.18 0.00 0.00 0.00 0.00 32.46 32.12 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1kx7 n LEU 35 N -3.11 0.17 0.03 0.55 4.77 -0.12 -2.09 117.00 117.20 1kx7 n LEU 35 Ca -0.05 0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1kx7 n LEU 35 Cb 0.54 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 1kx7 n LEU 35 CO 0.00 -0.53 -0.59 0.00 -1.33 0.00 0.00 177.39 174.94 1kx7 h ALA 36 N 1.47 0.41 0.04 -1.18 0.00 -1.76 -3.35 119.26 114.88 1kx7 h ALA 36 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 54.91 53.53 1kx7 h ALA 36 Cb 0.32 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1kx7 h ALA 36 CO 0.00 1.27 -0.37 0.87 0.00 0.00 0.00 179.25 181.02 1kx7 h LYS 37 N 0.06 0.18 0.00 0.00 1.57 -1.70 -3.51 116.57 113.18 1kx7 h LYS 37 Ca -0.34 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1kx7 h LYS 37 Cb 2.04 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.43 1kx7 h LYS 37 CO 0.12 1.04 0.00 0.41 -0.57 0.00 0.00 179.45 180.46 1kx7 n GLY 38 N 1.36 -0.49 1.93 3.86 0.00 -0.96 -5.05 105.19 105.85 1kx7 n GLY 38 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1kx7 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kx7 n VAL 39 N 0.00 0.05 -0.24 1.61 0.31 -1.26 -3.81 118.33 114.99 1kx7 n VAL 39 Ca 0.00 0.02 0.16 0.00 -0.01 0.00 0.00 64.34 64.50 1kx7 n VAL 39 Cb 0.00 -0.34 0.46 0.00 -0.91 0.00 0.00 33.84 33.05 1kx7 n VAL 39 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1kx7 h ASP 40 N 0.00 0.50 -0.68 4.52 2.03 -1.95 -0.29 116.42 120.54 1kx7 h ASP 40 Ca 0.00 0.04 0.25 0.00 -0.73 0.00 0.00 57.03 56.59 1kx7 h ASP 40 Cb 0.00 -0.06 -0.12 0.00 -0.83 0.00 0.00 39.33 38.32 1kx7 h ASP 40 CO 0.00 0.23 0.25 0.59 -1.03 0.00 0.00 179.24 179.28 1kx7 n ASN 41 N -4.53 0.13 0.08 4.15 3.02 -1.26 -0.18 115.26 116.67 1kx7 n ASN 41 Ca 0.18 1.14 -0.22 0.00 -0.03 0.00 0.00 54.58 55.65 1kx7 n ASN 41 Cb 0.58 -0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.00 0.59 -1.61 3.41 -0.00 -1.28 -2.84 115.31 113.59 1kx7 h LEU 42 Ca 0.53 -0.93 0.17 0.00 -0.00 0.00 0.00 57.88 57.65 1kx7 h LEU 42 Cb 1.31 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 41.72 1kx7 h LEU 42 CO -0.57 1.56 0.53 1.62 -0.00 0.00 0.00 178.44 181.59 1kx7 h VAL 43 N -0.16 0.75 -0.50 1.22 3.04 -0.61 0.13 116.25 120.11 1kx7 h VAL 43 Ca -0.22 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1kx7 h VAL 43 Cb 1.87 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 1kx7 h VAL 43 CO 0.18 0.07 0.26 0.11 -1.01 0.00 0.00 177.57 177.17 1kx7 h LYS 44 N 0.37 0.71 -0.67 4.17 1.79 -0.65 -1.21 116.57 121.08 1kx7 h LYS 44 Ca 0.39 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.75 1kx7 h LYS 44 Cb 0.99 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 1kx7 h LYS 44 CO -0.12 0.58 0.35 0.77 -1.08 0.00 0.00 179.45 179.95 1kx7 h SER 45 N 0.67 0.83 0.43 0.86 0.02 -0.65 -2.41 113.55 113.30 1kx7 h SER 45 Ca 0.17 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1kx7 h SER 45 Cb 0.09 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1kx7 h SER 45 CO -0.02 0.68 -0.20 0.58 -1.14 0.00 0.00 176.83 176.72 1kx7 h VAL 46 N 0.94 0.56 -0.56 2.27 2.07 -0.51 -1.84 116.25 119.18 1kx7 h VAL 46 Ca 0.24 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1kx7 h VAL 46 Cb 0.04 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1kx7 h VAL 46 CO -0.04 0.05 0.38 0.07 0.02 0.00 0.00 177.57 178.06 1kx7 h LYS 47 N -0.75 0.28 0.00 1.57 2.10 -1.19 0.21 116.57 118.79 1kx7 h LYS 47 Ca -0.06 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.45 1kx7 h LYS 47 Cb 0.53 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 1kx7 h LYS 47 CO 0.10 0.18 -0.61 1.15 -2.00 0.00 0.00 179.45 178.27 1kx7 h THR 48 N 0.29 1.44 -3.52 0.07 2.02 -1.17 -3.11 112.91 108.92 1kx7 h THR 48 Ca 0.26 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1kx7 h THR 48 Cb 0.64 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 1kx7 h THR 48 CO -0.06 0.60 -0.33 0.61 0.37 0.00 0.00 175.52 176.71 1kx7 n GLY 49 N 0.23 -3.36 3.55 2.16 0.00 -0.53 -4.70 105.19 102.53 1kx7 n GLY 49 Ca -0.01 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.30 0.96 0.13 0.99 2.96 -0.94 -4.80 118.68 117.69 1kx7 s LEU 50 Ca -0.03 1.29 -0.31 0.00 -0.22 0.00 0.00 54.13 54.86 1kx7 s LEU 50 Cb 0.00 -3.26 -0.07 0.00 0.50 0.00 0.00 46.19 43.36 1kx7 s LEU 50 CO 0.20 -3.88 1.57 0.78 -1.32 0.00 0.00 176.35 173.70 1kx7 h ASN 51 N -2.41 -1.51 -0.63 3.68 2.35 -1.97 0.14 115.58 115.23 1kx7 h ASN 51 Ca -0.59 0.20 -0.21 0.00 -0.55 0.00 0.00 56.30 55.15 1kx7 h ASN 51 Cb 1.34 0.61 -0.12 0.00 0.05 0.00 0.00 38.32 40.19 1kx7 h ASN 51 CO 0.53 -0.44 0.26 0.00 -1.65 0.00 0.00 177.43 176.13 1kx7 n ALA 52 N -2.99 4.30 -3.63 -0.83 0.00 -1.26 -4.90 120.51 111.20 1kx7 n ALA 52 Ca -0.04 -1.93 -0.23 0.00 0.00 0.00 0.00 53.44 51.24 1kx7 n ALA 52 Cb 0.37 -1.23 -0.17 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.53 1.18 0.79 0.00 0.00 0.47 -5.06 119.30 114.14 1kx7 s MET 53 Ca 0.45 -0.20 -0.12 0.00 0.00 0.00 0.00 55.69 55.81 1kx7 s MET 53 Cb 0.36 -1.14 0.07 0.00 0.00 0.00 0.00 34.83 34.12 1kx7 s MET 53 CO 0.11 -0.10 1.15 -1.25 0.00 0.00 0.00 175.02 174.93 1kx7 s PRO 54 N 1.08 1.87 0.16 4.11 0.04 -1.26 -2.20 135.00 138.79 1kx7 s PRO 54 Ca -0.08 1.53 -0.32 0.00 0.04 0.00 0.00 61.00 62.18 1kx7 s PRO 54 Cb -0.14 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1kx7 s PRO 54 CO -0.01 -1.99 1.55 -1.25 0.04 0.00 0.00 177.00 175.34 1kx7 s PRO 55 N -4.38 4.22 -0.80 0.56 0.04 -1.26 -0.94 135.00 132.45 1kx7 s PRO 55 Ca 0.68 2.33 0.00 0.00 0.04 0.00 0.00 61.00 64.06 1kx7 s PRO 55 Cb -0.24 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1kx7 s PRO 55 CO 0.51 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1kx7 n GLY 56 N 3.73 0.48 4.66 0.56 0.00 0.63 -4.31 105.19 110.94 1kx7 n GLY 56 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.44 1.19 0.49 -0.02 0.00 -0.12 -3.12 105.19 102.17 1kx7 n GLY 57 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 -2.69 1.61 1.56 -1.26 -4.29 117.12 112.04 1kx7 n MET 58 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1kx7 n MET 58 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 h THR 60 N 4.54 0.94 0.00 0.00 2.02 -1.84 -3.41 112.91 115.16 1kx7 h THR 60 Ca -0.42 -2.18 -0.64 0.00 0.77 0.00 0.00 66.41 63.94 1kx7 h THR 60 Cb 1.22 2.26 0.02 0.00 -1.74 0.00 0.00 68.15 69.91 1kx7 h THR 60 CO 0.74 0.32 3.67 -0.90 0.37 0.00 0.00 175.52 179.72 1kx7 n ASP 61 N -4.44 8.02 -4.08 4.18 5.75 -1.26 -4.83 116.55 119.89 1kx7 n ASP 61 Ca -0.31 -2.56 -0.15 0.00 -0.01 0.00 0.00 54.79 51.76 1kx7 n ASP 61 Cb 0.68 -1.51 -0.12 0.00 -1.03 0.00 0.00 41.12 39.14 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kx7 s THR 63 N -1.15 4.01 0.33 0.00 2.01 -1.26 -4.97 115.64 114.60 1kx7 s THR 63 Ca -0.06 -1.36 0.11 0.00 0.31 0.00 0.00 61.69 60.69 1kx7 s THR 63 Cb -0.09 -3.05 0.32 0.00 0.01 0.00 0.00 72.50 69.69 1kx7 s THR 63 CO 0.01 -0.16 1.68 0.44 -0.69 0.00 0.00 174.62 175.90 1kx7 h ASP 64 N 2.41 0.50 -0.36 3.53 3.32 -2.01 0.25 116.42 124.05 1kx7 h ASP 64 Ca -0.47 0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.79 1kx7 h ASP 64 Cb 1.21 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1kx7 h ASP 64 CO 0.60 -0.06 0.14 1.05 -1.72 0.00 0.00 179.24 179.25 1kx7 h GLU 65 N 0.39 0.29 -0.14 3.56 4.11 -1.98 0.31 114.58 121.13 1kx7 h GLU 65 Ca 0.68 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.97 1kx7 h GLU 65 Cb 1.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1kx7 h GLU 65 CO -0.57 0.19 -0.39 -0.44 0.07 0.00 0.00 179.01 177.87 1kx7 h ASP 66 N 0.30 0.58 -0.22 3.06 3.32 -1.55 -0.13 116.42 121.78 1kx7 h ASP 66 Ca 0.16 -0.59 0.04 0.00 0.02 0.00 0.00 57.03 56.66 1kx7 h ASP 66 Cb 0.13 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1kx7 h ASP 66 CO -0.16 1.07 -0.05 1.88 -1.72 0.00 0.00 179.24 180.26 1kx7 h TYR 67 N 0.12 -0.11 0.16 4.55 0.05 -0.84 0.40 116.97 121.31 1kx7 h TYR 67 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1kx7 h TYR 67 Cb 1.01 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1kx7 h TYR 67 CO 0.11 -0.09 -0.08 0.87 -1.05 0.00 0.00 178.16 177.92 1kx7 h LYS 68 N 0.01 -0.21 -1.02 4.88 1.57 -0.35 -0.10 116.57 121.34 1kx7 h LYS 68 Ca 0.10 0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.17 1kx7 h LYS 68 Cb 0.16 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.39 1kx7 h LYS 68 CO -0.22 0.15 0.61 0.00 -0.57 0.00 0.00 179.45 179.42 1kx7 h ALA 69 N 0.14 1.94 0.01 3.86 0.00 -0.95 0.49 119.26 124.76 1kx7 h ALA 69 Ca -0.02 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kx7 h ALA 69 Cb 0.45 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1kx7 h ALA 69 CO 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 1kx7 h ALA 70 N 1.74 -0.02 -0.82 0.00 0.00 -0.50 0.10 119.26 119.77 1kx7 h ALA 70 Ca 0.67 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.40 1kx7 h ALA 70 Cb 1.43 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1kx7 h ALA 70 CO -0.48 -0.28 0.54 0.82 0.00 0.00 0.00 179.25 179.84 1kx7 h ILE 71 N -0.47 1.10 -0.39 0.00 2.04 -0.17 -2.47 117.51 117.15 1kx7 h ILE 71 Ca -0.00 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1kx7 h ILE 71 Cb 0.46 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1kx7 h ILE 71 CO 0.00 0.18 -0.27 -0.33 0.00 0.00 0.00 178.15 177.73 1kx7 h GLU 72 N 0.97 0.82 -0.93 2.37 5.08 0.07 -1.89 114.58 121.08 1kx7 h GLU 72 Ca 0.34 -0.36 0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1kx7 h GLU 72 Cb 0.11 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 1kx7 h GLU 72 CO -0.11 1.00 0.60 0.35 -1.00 0.00 0.00 179.01 179.85 1kx7 h PHE 73 N 0.70 0.68 0.00 4.33 3.04 -0.30 -3.25 116.94 122.14 1kx7 h PHE 73 Ca 0.09 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1kx7 h PHE 73 Cb 0.81 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1kx7 h PHE 73 CO 0.04 0.18 0.00 -1.33 -2.02 0.00 0.00 178.31 175.18 1kx7 n MET 74 N -4.56 0.00 -2.61 1.11 2.81 -1.06 -4.92 117.12 107.89 1kx7 n MET 74 Ca 0.20 0.39 -0.04 0.00 -1.81 0.00 0.00 57.70 56.44 1kx7 n MET 74 Cb 0.65 -0.89 0.10 0.00 -0.71 0.00 0.00 33.22 32.38 1kx7 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1kx7 n SER 75 N -1.72 -1.54 -4.02 7.83 2.88 -0.99 -4.79 113.62 111.27 1kx7 n SER 75 Ca 0.00 -2.20 -0.36 0.00 -1.33 0.00 0.00 58.87 54.99 1kx7 n SER 75 Cb 0.00 0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 -0.91 -0.47 0.00 -1.46 2.85 -0.74 -4.71 118.16 112.71 1kx7 n LYS 76 Ca -0.11 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1kx7 n LYS 76 Cb 0.82 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 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 -4.22 0.00 0.95 0.58 0.00 -1.25 -4.73 120.51 111.83 1kx7 n ALA 77 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1kx7 n ALA 77 Cb 0.47 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.02 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86