#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 -1.45 -0.02 0.00 -1.08 -1.26 -5.03 116.67 107.84 1kx7 s ASP -2 Ca 0.00 -0.59 0.20 0.00 -0.52 0.00 0.00 52.55 51.64 1kx7 s ASP -2 Cb 0.00 1.85 0.34 0.00 -1.46 0.00 0.00 42.92 43.66 1kx7 s ASP -2 CO 0.00 -0.18 1.14 0.00 0.52 0.00 0.00 175.17 176.65 1kx7 n LEU -1 N 4.51 0.56 0.01 -1.34 -0.00 -1.26 -4.60 117.00 114.88 1kx7 n LEU -1 Ca 0.10 -2.08 0.08 0.00 -0.00 0.00 0.00 56.01 54.11 1kx7 n LEU -1 Cb 0.57 0.03 -0.12 0.00 -0.00 0.00 0.00 43.42 43.90 1kx7 n LEU -1 CO -0.01 0.77 -0.58 1.67 -0.00 0.00 0.00 177.39 179.24 1kx7 n GLN 1 N 0.29 0.65 -3.69 1.47 0.00 -1.26 -4.79 117.38 110.06 1kx7 n GLN 1 Ca -0.02 -0.07 -0.19 0.00 -0.00 0.00 0.00 57.00 56.72 1kx7 n GLN 1 Cb 1.03 -1.62 -0.18 0.00 0.00 0.00 0.00 30.24 29.47 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 -4.91 0.99 0.33 1.69 -1.08 -1.26 -5.04 116.67 107.39 1kx7 s ASP 2 Ca -0.06 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.16 1kx7 s ASP 2 Cb 0.12 -0.14 1.01 0.00 -1.46 0.00 0.00 42.92 42.45 1kx7 s ASP 2 CO 0.87 -0.23 1.66 0.00 0.52 0.00 0.00 175.17 177.98 1kx7 h ALA 3 N 8.26 1.81 -0.29 3.66 0.00 -1.86 0.22 119.26 131.06 1kx7 h ALA 3 Ca -0.17 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kx7 h ALA 3 Cb 1.12 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1kx7 h ALA 3 CO 0.20 -0.55 0.18 1.49 0.00 0.00 0.00 179.25 180.57 1kx7 h GLU 4 N 0.30 0.35 -0.06 0.00 4.81 -1.90 -1.89 114.58 116.19 1kx7 h GLU 4 Ca 0.70 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.81 1kx7 h GLU 4 Cb 1.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1kx7 h GLU 4 CO -0.62 0.23 -0.38 0.00 -0.73 0.00 0.00 179.01 177.51 1kx7 h ALA 5 N 1.12 1.24 0.25 2.92 0.00 -1.16 0.18 119.26 123.81 1kx7 h ALA 5 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1kx7 h ALA 5 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1kx7 h ALA 5 CO -0.04 0.53 -0.12 0.82 0.00 0.00 0.00 179.25 180.44 1kx7 h ILE 6 N 0.11 0.81 -0.33 0.00 2.04 -0.47 0.13 117.51 119.80 1kx7 h ILE 6 Ca 0.01 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 1kx7 h ILE 6 Cb 0.73 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1kx7 h ILE 6 CO 0.05 0.09 -0.32 0.10 0.00 0.00 0.00 178.15 178.08 1kx7 h TYR 7 N -0.55 0.96 0.00 1.37 -0.00 -1.06 0.12 116.97 117.81 1kx7 h TYR 7 Ca -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 58.73 58.39 1kx7 h TYR 7 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 36.93 1kx7 h TYR 7 CO -0.00 1.06 -0.08 -0.97 -0.00 0.00 0.00 178.16 178.17 1kx7 h ASN 8 N 0.58 0.00 0.31 0.10 -1.24 -0.64 0.24 115.58 114.93 1kx7 h ASN 8 Ca 0.05 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.78 1kx7 h ASN 8 Cb 0.90 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.90 1kx7 h ASN 8 CO 0.08 0.08 -1.94 1.17 -1.29 0.00 0.00 177.43 175.53 1kx7 n LYS 9 N -3.26 0.65 -0.02 6.67 3.00 0.45 -4.69 118.16 120.97 1kx7 n LYS 9 Ca -0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 58.31 58.41 1kx7 n LYS 9 Cb 0.31 -1.67 -0.01 0.00 0.00 0.00 0.00 35.03 33.65 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 -2.58 1.49 -0.50 3.14 0.00 0.41 -4.64 120.51 117.82 1kx7 n ALA 10 Ca -0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 1kx7 n ALA 10 Cb 1.02 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.51 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 1.75 0.27 -0.05 0.00 5.66 -1.17 -4.14 114.28 116.59 1kx7 n THR 12 Ca 0.06 -0.46 -0.11 0.00 -3.05 0.00 0.00 64.05 60.49 1kx7 n THR 12 Cb 0.49 1.07 -0.04 0.00 -1.55 0.00 0.00 70.33 70.30 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 -0.13 1.01 -0.02 1.08 0.31 -1.25 -4.43 118.33 114.89 1kx7 n VAL 13 Ca 0.00 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1kx7 n VAL 13 Cb 0.19 -1.80 -0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 -3.60 0.07 -0.03 0.00 -0.00 -1.26 0.08 115.22 110.48 1kx7 n HIS 15 Ca -0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 57.72 57.60 1kx7 n HIS 15 Cb 0.01 -0.54 -0.10 0.00 -0.00 0.00 0.00 29.99 29.36 1kx7 n HIS 15 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1kx7 h SER 16 N 0.00 0.18 0.00 0.41 0.87 -1.77 -2.25 113.55 110.99 1kx7 h SER 16 Ca 0.00 -0.59 -0.27 0.00 -1.23 0.00 0.00 61.79 59.70 1kx7 h SER 16 Cb 0.36 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 1kx7 h SER 16 CO 0.00 0.74 -2.00 0.80 -0.53 0.00 0.00 176.83 175.84 1kx7 n MET 17 N -4.65 0.43 -0.28 2.24 1.56 -1.18 -4.80 117.12 110.44 1kx7 n MET 17 Ca -0.08 0.11 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1kx7 n MET 17 Cb 0.37 -1.33 0.00 0.00 2.15 0.00 0.00 33.22 34.41 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 2.58 0.84 0.06 -5.12 0.00 0.11 -5.01 105.19 98.65 1kx7 n GLY 18 Ca -0.31 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 0.64 -0.15 1.61 2.07 -1.84 -3.33 116.25 115.25 1kx7 h VAL 19 Ca 0.00 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 1kx7 h VAL 19 Cb 0.19 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1kx7 h VAL 19 CO 0.00 0.22 0.11 0.00 0.02 0.00 0.00 177.57 177.91 1kx7 n ALA 20 N -2.91 3.36 -1.28 1.67 0.00 -1.26 -4.72 120.51 115.37 1kx7 n ALA 20 Ca -0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 1kx7 n ALA 20 Cb 0.25 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 0.52 1.04 3.77 0.00 0.00 -1.25 -4.97 105.19 104.29 1kx7 n GLY 21 Ca 0.09 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.13 3.39 0.28 4.61 0.00 -1.26 -4.96 121.76 121.70 1kx7 s ALA 22 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 1kx7 s ALA 22 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 1kx7 s ALA 22 CO 0.00 -1.01 1.25 -1.25 0.00 0.00 0.00 175.76 174.75 1kx7 s PRO 23 N -2.21 4.44 0.29 0.00 0.04 -1.26 -4.42 135.00 131.88 1kx7 s PRO 23 Ca 0.56 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.37 1kx7 s PRO 23 Cb -0.43 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 30.88 1kx7 s PRO 23 CO 0.57 -0.10 1.26 0.15 0.04 0.00 0.00 177.00 178.92 1kx7 s LYS 24 N -1.27 4.43 0.39 4.56 1.02 -1.26 -4.67 119.74 122.94 1kx7 s LYS 24 Ca 0.50 2.08 0.19 0.00 0.02 0.00 0.00 55.97 58.76 1kx7 s LYS 24 Cb -0.37 -3.13 1.13 0.00 -0.52 0.00 0.00 37.83 34.95 1kx7 s LYS 24 CO 0.46 -0.11 1.73 1.03 -0.92 0.00 0.00 175.35 177.54 1kx7 h SER 25 N 4.00 0.44 -2.53 2.83 0.87 -1.71 -3.10 113.55 114.35 1kx7 h SER 25 Ca -0.47 0.11 -0.61 0.00 -1.23 0.00 0.00 61.79 59.58 1kx7 h SER 25 Cb 1.22 0.04 -0.42 0.00 -0.44 0.00 0.00 62.40 62.80 1kx7 h SER 25 CO 0.69 0.03 -0.57 0.00 -0.53 0.00 0.00 176.83 176.44 1kx7 n HIS 26 N -4.70 3.52 -4.41 2.24 -0.00 -1.26 -4.55 115.22 106.06 1kx7 n HIS 26 Ca 0.28 -4.21 -0.24 0.00 -0.00 0.00 0.00 57.72 53.55 1kx7 n HIS 26 Cb 0.97 -0.59 -0.09 0.00 -0.00 0.00 0.00 29.99 30.27 1kx7 n HIS 26 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1kx7 s ASN 27 N -2.10 3.89 -0.14 4.39 0.01 -1.17 -5.06 114.94 114.76 1kx7 s ASN 27 Ca 0.34 -0.90 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1kx7 s ASN 27 Cb 0.08 -0.47 -0.12 0.00 0.41 0.00 0.00 41.25 41.15 1kx7 s ASN 27 CO -0.07 0.03 -0.06 0.41 -1.51 0.00 0.00 177.10 175.90 1kx7 n THR 28 N -0.68 0.85 0.13 1.60 -1.04 -1.26 -4.33 114.28 109.54 1kx7 n THR 28 Ca -0.06 -0.40 0.05 0.00 -2.04 0.00 0.00 64.05 61.61 1kx7 n THR 28 Cb 0.60 -0.89 0.03 0.00 -1.82 0.00 0.00 70.33 68.24 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 0.24 0.71 0.10 2.41 0.00 -1.99 0.70 119.26 121.43 1kx7 h ALA 29 Ca -0.33 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 53.94 1kx7 h ALA 29 Cb 1.61 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1kx7 h ALA 29 CO -0.02 0.46 -1.20 0.22 0.00 0.00 0.00 179.25 178.70 1kx7 h ASP 30 N 0.00 0.33 0.41 0.00 1.82 -1.97 -3.35 116.42 113.66 1kx7 h ASP 30 Ca -0.04 -0.36 -0.31 0.00 -0.39 0.00 0.00 57.03 55.93 1kx7 h ASP 30 Cb 1.29 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 1kx7 h ASP 30 CO 0.04 1.28 -1.64 -0.50 -1.61 0.00 0.00 179.24 176.81 1kx7 h TRP 31 N 0.06 0.36 -0.98 0.28 4.06 -1.74 -3.39 115.95 114.60 1kx7 h TRP 31 Ca -0.11 -0.26 0.09 0.00 2.06 0.00 0.00 58.89 60.67 1kx7 h TRP 31 Cb 1.93 -0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 29.96 1kx7 h TRP 31 CO 0.05 1.38 -0.57 0.39 -3.56 0.00 0.00 178.44 176.13 1kx7 n GLU 32 N -3.38 -0.42 0.00 0.49 1.02 0.24 -0.88 120.64 117.71 1kx7 n GLU 32 Ca -0.19 1.48 0.00 0.00 -0.02 0.00 0.00 57.16 58.43 1kx7 n GLU 32 Cb 1.04 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1kx7 n GLU 32 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1kx7 n PRO 33 N -5.24 0.75 -0.02 3.49 -0.04 -1.26 -2.66 135.00 130.02 1kx7 n PRO 33 Ca 0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1kx7 n PRO 33 Cb 0.26 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.16 0.11 0.00 0.54 5.12 -0.06 -4.57 116.66 117.64 1kx7 n ARG 34 Ca 0.00 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1kx7 n ARG 34 Cb 0.10 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1kx7 n LEU 35 N -2.95 0.00 0.04 0.55 4.77 -0.43 -1.70 117.00 117.28 1kx7 n LEU 35 Ca -0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1kx7 n LEU 35 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 1kx7 n LEU 35 CO 0.02 0.00 -0.07 0.00 -1.33 0.00 0.00 177.39 176.01 1kx7 h ALA 36 N 1.79 0.54 0.00 -1.18 0.00 -1.79 -3.40 119.26 115.22 1kx7 h ALA 36 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1kx7 h ALA 36 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kx7 h ALA 36 CO 0.00 1.26 -0.39 1.63 0.00 0.00 0.00 179.25 181.76 1kx7 n LYS 37 N -3.20 0.26 0.00 0.00 5.02 -0.69 -5.12 118.16 114.42 1kx7 n LYS 37 Ca -0.06 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1kx7 n LYS 37 Cb 0.95 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1kx7 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kx7 n GLY 38 N 1.59 3.46 3.30 0.72 0.00 -1.20 -5.03 105.19 108.03 1kx7 n GLY 38 Ca -0.05 -0.78 -0.60 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 1.61 0.24 -1.26 -3.03 118.33 115.89 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 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 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 5.00 0.00 -0.01 -1.34 8.00 -1.26 -5.01 116.55 121.93 1kx7 n ASP 40 Ca 0.38 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.83 1kx7 n ASP 40 Cb -0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1kx7 h ASN 41 N 0.00 -0.08 1.33 -2.24 2.35 -1.92 -3.37 115.58 111.65 1kx7 h ASN 41 Ca 0.00 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1kx7 h ASN 41 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1kx7 h ASN 41 CO 0.00 0.51 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.88 1kx7 h LEU 42 N -1.00 0.00 -2.25 1.61 4.07 -1.86 -1.56 115.31 114.32 1kx7 h LEU 42 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1kx7 h LEU 42 Cb 0.30 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1kx7 h LEU 42 CO 0.02 0.34 -0.01 1.62 -1.08 0.00 0.00 178.44 179.33 1kx7 h VAL 43 N 0.00 0.74 -0.22 1.22 3.04 -1.76 0.13 116.25 119.40 1kx7 h VAL 43 Ca -0.00 -0.02 -0.05 0.00 -1.01 0.00 0.00 66.70 65.62 1kx7 h VAL 43 Cb 1.10 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 1kx7 h VAL 43 CO 0.04 0.01 -0.06 0.11 -1.01 0.00 0.00 177.57 176.66 1kx7 h LYS 44 N 0.00 0.43 -0.58 4.17 1.79 -1.43 -2.14 116.57 118.82 1kx7 h LYS 44 Ca -0.00 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1kx7 h LYS 44 Cb 0.01 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1kx7 h LYS 44 CO 0.00 0.68 0.26 0.77 -1.08 0.00 0.00 179.45 180.07 1kx7 h SER 45 N 0.16 0.74 0.34 0.86 0.02 -1.15 -1.12 113.55 113.40 1kx7 h SER 45 Ca 0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1kx7 h SER 45 Cb 0.52 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1kx7 h SER 45 CO 0.02 0.65 -0.21 0.58 -1.14 0.00 0.00 176.83 176.73 1kx7 h VAL 46 N 0.82 0.55 -0.44 2.27 2.07 -0.73 -1.49 116.25 119.31 1kx7 h VAL 46 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1kx7 h VAL 46 Cb 0.12 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1kx7 h VAL 46 CO -0.02 0.00 0.29 0.07 0.02 0.00 0.00 177.57 177.93 1kx7 h LYS 47 N -0.53 0.50 0.00 1.57 2.10 -0.99 -1.87 116.57 117.36 1kx7 h LYS 47 Ca -0.03 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.49 1kx7 h LYS 47 Cb 0.44 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 1kx7 h LYS 47 CO 0.03 0.33 -0.43 1.15 -2.00 0.00 0.00 179.45 178.53 1kx7 h THR 48 N 0.52 1.06 -3.35 0.07 2.02 -0.87 -2.16 112.91 110.20 1kx7 h THR 48 Ca 0.17 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1kx7 h THR 48 Cb 0.05 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1kx7 h THR 48 CO -0.04 0.42 -0.19 0.61 0.37 0.00 0.00 175.52 176.70 1kx7 n GLY 49 N 0.14 -3.13 3.47 2.16 0.00 -0.59 -4.69 105.19 102.56 1kx7 n GLY 49 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 0.15 -1.04 0.08 0.99 7.94 -1.21 -4.79 117.00 119.13 1kx7 n LEU 50 Ca -0.01 -0.09 -0.12 0.00 -1.11 0.00 0.00 56.01 54.67 1kx7 n LEU 50 Cb 0.02 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 42.67 1kx7 n LEU 50 CO 0.07 -3.17 0.65 0.78 -1.11 0.00 0.00 177.39 174.62 1kx7 h ASN 51 N -2.53 -0.92 -0.21 1.96 2.35 -1.97 0.14 115.58 114.40 1kx7 h ASN 51 Ca -0.59 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1kx7 h ASN 51 Cb 1.33 0.36 0.00 0.00 0.05 0.00 0.00 38.32 40.06 1kx7 h ASN 51 CO 0.47 -0.39 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1kx7 n ALA 52 N -2.73 3.00 -3.22 -0.83 0.00 -1.26 -4.91 120.51 110.57 1kx7 n ALA 52 Ca -0.06 -0.69 -0.17 0.00 0.00 0.00 0.00 53.44 52.52 1kx7 n ALA 52 Cb 0.32 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.64 0.48 0.50 0.00 0.00 0.49 -5.07 119.30 114.07 1kx7 s MET 53 Ca 0.20 -0.10 -0.21 0.00 0.00 0.00 0.00 55.69 55.58 1kx7 s MET 53 Cb 0.15 -0.52 -0.06 0.00 0.00 0.00 0.00 34.83 34.40 1kx7 s MET 53 CO 0.06 0.00 1.18 -1.25 0.00 0.00 0.00 175.02 175.01 1kx7 s PRO 54 N 0.42 3.50 0.24 4.11 0.04 -1.26 -3.34 135.00 138.70 1kx7 s PRO 54 Ca -0.05 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 1kx7 s PRO 54 Cb -0.08 -2.24 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 1kx7 s PRO 54 CO -0.00 -0.77 1.62 -1.25 0.04 0.00 0.00 177.00 176.63 1kx7 s PRO 55 N -2.93 4.15 -0.19 0.56 0.04 -1.26 -0.82 135.00 134.55 1kx7 s PRO 55 Ca 0.68 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.25 1kx7 s PRO 55 Cb -0.29 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1kx7 s PRO 55 CO 0.34 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1kx7 n GLY 56 N 3.02 0.54 3.30 0.56 0.00 -0.76 -3.74 105.19 108.10 1kx7 n GLY 56 Ca 0.11 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.45 -0.47 1.85 -0.02 0.00 0.00 -0.99 105.19 103.11 1kx7 n GLY 57 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.44 -0.94 -4.42 1.61 1.56 -1.25 -4.33 117.12 105.91 1kx7 n MET 58 Ca -0.00 0.12 -0.21 0.00 -0.27 0.00 0.00 57.70 57.34 1kx7 n MET 58 Cb 0.52 -3.15 -0.10 0.00 2.15 0.00 0.00 33.22 32.64 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 -0.56 0.87 -2.37 0.00 -1.04 -1.26 -4.67 114.28 105.24 1kx7 n THR 60 Ca -0.05 0.28 -0.23 0.00 -2.04 0.00 0.00 64.05 62.00 1kx7 n THR 60 Cb 0.63 -1.91 0.01 0.00 -1.82 0.00 0.00 70.33 67.24 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 -3.58 4.36 -4.64 8.00 2.03 -1.26 -5.04 116.55 116.42 1kx7 n ASP 61 Ca -0.07 -3.57 -0.43 0.00 0.52 0.00 0.00 54.79 51.24 1kx7 n ASP 61 Cb 0.26 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 4.64 4.50 0.31 0.00 -1.32 -1.26 -4.84 115.64 117.67 1kx7 s THR 63 Ca 0.65 1.61 0.17 0.00 -1.21 0.00 0.00 61.69 62.91 1kx7 s THR 63 Cb -0.23 -4.10 0.29 0.00 -1.51 0.00 0.00 72.50 66.96 1kx7 s THR 63 CO 0.26 0.50 1.32 0.47 -2.21 0.00 0.00 174.62 174.95 1kx7 n ASP 64 N 1.87 0.29 -0.32 8.08 9.92 -1.26 -0.30 116.55 134.83 1kx7 n ASP 64 Ca -0.06 1.39 -0.04 0.00 -0.53 0.00 0.00 54.79 55.55 1kx7 n ASP 64 Cb 0.49 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1kx7 h GLU 65 N 0.00 -0.07 0.05 -1.24 4.39 -2.00 0.15 114.58 115.86 1kx7 h GLU 65 Ca 0.71 0.01 -0.32 0.00 0.34 0.00 0.00 59.36 60.10 1kx7 h GLU 65 Cb 1.87 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.50 1kx7 h GLU 65 CO -0.65 -0.05 -1.77 -0.44 -1.16 0.00 0.00 179.01 174.94 1kx7 h ASP 66 N -0.08 0.17 -0.76 1.42 3.32 -1.03 -3.26 116.42 116.20 1kx7 h ASP 66 Ca 0.27 -0.37 0.13 0.00 0.02 0.00 0.00 57.03 57.08 1kx7 h ASP 66 Cb 0.56 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 1kx7 h ASP 66 CO -0.86 1.33 0.35 0.22 -1.72 0.00 0.00 179.24 178.56 1kx7 h TYR 67 N 0.03 0.61 -0.11 4.55 5.03 -0.56 0.21 116.97 126.75 1kx7 h TYR 67 Ca -0.32 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 60.92 1kx7 h TYR 67 Cb 2.02 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 40.14 1kx7 h TYR 67 CO 0.03 0.15 -0.33 1.57 -1.32 0.00 0.00 178.16 178.26 1kx7 h LYS 68 N 0.54 0.41 -0.50 1.82 2.10 -0.86 -3.01 116.57 117.06 1kx7 h LYS 68 Ca 0.41 -0.30 0.06 0.00 -2.00 0.00 0.00 60.65 58.82 1kx7 h LYS 68 Cb 0.55 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.90 1kx7 h LYS 68 CO -0.35 0.92 0.34 0.00 -2.00 0.00 0.00 179.45 178.36 1kx7 h ALA 69 N 0.49 1.93 -0.26 0.07 0.00 -1.47 0.13 119.26 120.14 1kx7 h ALA 69 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1kx7 h ALA 69 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1kx7 h ALA 69 CO 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.40 1kx7 h ALA 70 N 1.73 0.34 0.03 0.00 0.00 -0.46 0.25 119.26 121.15 1kx7 h ALA 70 Ca 0.22 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1kx7 h ALA 70 Cb 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kx7 h ALA 70 CO -0.06 -0.05 -1.06 -0.84 0.00 0.00 0.00 179.25 177.24 1kx7 h ILE 71 N 0.27 1.34 -0.74 0.00 3.07 -1.45 -3.23 117.51 116.77 1kx7 h ILE 71 Ca 0.09 -2.42 0.05 0.00 1.55 0.00 0.00 64.86 64.12 1kx7 h ILE 71 Cb 0.20 2.50 -0.04 0.00 -0.27 0.00 0.00 36.82 39.21 1kx7 h ILE 71 CO -0.01 0.73 0.49 -0.33 -1.05 0.00 0.00 178.15 177.99 1kx7 h GLU 72 N 0.29 0.82 -0.73 0.16 5.08 -0.61 -2.04 114.58 117.55 1kx7 h GLU 72 Ca -0.12 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1kx7 h GLU 72 Cb 1.72 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.69 1kx7 h GLU 72 CO 0.20 0.54 0.25 0.35 -1.00 0.00 0.00 179.01 179.35 1kx7 h PHE 73 N 0.84 0.42 0.00 4.33 3.04 -0.51 -3.14 116.94 121.92 1kx7 h PHE 73 Ca 0.31 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.29 1kx7 h PHE 73 Cb 0.15 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1kx7 h PHE 73 CO -0.00 0.02 0.00 -1.33 -2.02 0.00 0.00 178.31 174.98 1kx7 n MET 74 N -5.05 0.00 -0.86 1.11 2.81 -0.78 -4.83 117.12 109.52 1kx7 n MET 74 Ca 0.14 0.25 -0.02 0.00 -1.81 0.00 0.00 57.70 56.25 1kx7 n MET 74 Cb 0.41 -1.06 -0.02 0.00 -0.71 0.00 0.00 33.22 31.84 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 -1.25 -0.21 -3.92 7.83 2.88 -1.18 -4.92 113.62 112.85 1kx7 n SER 75 Ca 0.00 -1.69 -0.32 0.00 -1.33 0.00 0.00 58.87 55.53 1kx7 n SER 75 Cb 0.00 0.03 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 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 0.09 -0.52 0.11 -1.46 2.85 -1.12 -4.80 118.16 113.31 1kx7 n LYS 76 Ca -0.10 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1kx7 n LYS 76 Cb 0.72 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 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 -3.69 2.57 0.07 0.58 0.00 -1.26 -4.60 120.51 114.19 1kx7 n ALA 77 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1kx7 n ALA 77 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86