#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 -0.78 -0.00 0.00 -1.08 -1.26 -5.06 116.67 108.49 1kx7 s ASP -2 Ca 0.00 1.22 0.26 0.00 -0.52 0.00 0.00 52.55 53.50 1kx7 s ASP -2 Cb 0.00 1.43 0.43 0.00 -1.46 0.00 0.00 42.92 43.31 1kx7 s ASP -2 CO 0.00 -0.19 1.17 0.00 0.52 0.00 0.00 175.17 176.67 1kx7 n LEU -1 N 4.24 1.01 0.03 -1.34 -0.00 -1.26 -4.71 117.00 114.97 1kx7 n LEU -1 Ca -0.18 -2.01 0.11 0.00 -0.00 0.00 0.00 56.01 53.93 1kx7 n LEU -1 Cb 0.57 -0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.87 1kx7 n LEU -1 CO -0.01 0.51 -0.51 1.67 -0.00 0.00 0.00 177.39 179.05 1kx7 n GLN 1 N 0.47 0.64 -3.77 1.47 7.27 -1.26 -4.79 117.38 117.42 1kx7 n GLN 1 Ca 0.06 -0.10 -0.14 0.00 0.07 0.00 0.00 57.00 56.89 1kx7 n GLN 1 Cb 1.14 -1.62 -0.15 0.00 2.41 0.00 0.00 30.24 32.02 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1kx7 s ASP 2 N -4.79 0.00 0.33 1.69 -1.08 -1.26 -5.04 116.67 106.52 1kx7 s ASP 2 Ca -0.06 0.12 0.11 0.00 -0.52 0.00 0.00 52.55 52.21 1kx7 s ASP 2 Cb 0.13 0.02 0.97 0.00 -1.46 0.00 0.00 42.92 42.58 1kx7 s ASP 2 CO 0.87 -0.12 1.69 0.00 0.52 0.00 0.00 175.17 178.13 1kx7 h ALA 3 N 7.14 1.82 -0.14 3.66 0.00 -1.86 0.17 119.26 130.03 1kx7 h ALA 3 Ca -0.43 0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1kx7 h ALA 3 Cb 1.14 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1kx7 h ALA 3 CO 0.46 -0.45 -0.07 1.49 0.00 0.00 0.00 179.25 180.69 1kx7 h GLU 4 N 0.41 -0.06 -0.11 0.00 4.81 -1.93 -1.42 114.58 116.28 1kx7 h GLU 4 Ca 0.68 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.82 1kx7 h GLU 4 Cb 1.44 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1kx7 h GLU 4 CO -0.56 -0.04 -0.36 0.00 -0.73 0.00 0.00 179.01 177.32 1kx7 h ALA 5 N 1.07 1.18 0.21 2.92 0.00 -1.21 0.18 119.26 123.62 1kx7 h ALA 5 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1kx7 h ALA 5 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kx7 h ALA 5 CO -0.18 0.55 -0.10 0.82 0.00 0.00 0.00 179.25 180.33 1kx7 h ILE 6 N 0.20 0.87 -0.37 0.00 2.04 -0.58 0.73 117.51 120.40 1kx7 h ILE 6 Ca 0.02 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 1kx7 h ILE 6 Cb 0.74 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1kx7 h ILE 6 CO 0.06 0.11 -0.26 0.10 0.00 0.00 0.00 178.15 178.15 1kx7 h TYR 7 N -0.51 0.97 0.00 1.37 -0.00 -0.97 0.70 116.97 118.53 1kx7 h TYR 7 Ca -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 58.73 58.42 1kx7 h TYR 7 Cb 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 1kx7 h TYR 7 CO 0.00 1.04 -0.09 -0.97 -0.00 0.00 0.00 178.16 178.14 1kx7 h ASN 8 N 0.62 0.00 0.25 0.10 -1.24 -0.62 0.17 115.58 114.85 1kx7 h ASN 8 Ca 0.07 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.81 1kx7 h ASN 8 Cb 0.83 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.83 1kx7 h ASN 8 CO 0.07 0.09 -2.00 1.17 -1.29 0.00 0.00 177.43 175.48 1kx7 n LYS 9 N -3.29 0.66 -0.01 6.67 4.81 0.24 -4.69 118.16 122.56 1kx7 n LYS 9 Ca -0.00 0.09 -0.02 0.00 -0.87 0.00 0.00 58.31 57.50 1kx7 n LYS 9 Cb 0.32 -1.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.72 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 -2.58 1.65 -0.45 3.14 0.00 0.23 -4.67 120.51 117.83 1kx7 n ALA 10 Ca -0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 1kx7 n ALA 10 Cb 1.01 0.07 -0.02 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 0.00 -0.13 0.00 5.66 -1.14 -3.90 114.28 116.51 1kx7 n THR 12 Ca 0.05 -0.36 -0.27 0.00 -3.05 0.00 0.00 64.05 60.41 1kx7 n THR 12 Cb 0.44 1.21 -0.10 0.00 -1.55 0.00 0.00 70.33 70.32 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 -0.17 1.53 -0.08 1.08 0.31 -1.25 -4.45 118.33 115.28 1kx7 n VAL 13 Ca 0.00 -0.41 -0.08 0.00 -0.01 0.00 0.00 64.34 63.84 1kx7 n VAL 13 Cb 0.05 -1.80 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 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 -0.01 0.00 -0.00 -1.75 0.35 115.15 112.74 1kx7 h HIS 15 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1kx7 h HIS 15 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 1kx7 h HIS 15 CO -0.31 0.00 0.00 1.03 -0.00 0.00 0.00 177.93 178.65 1kx7 h SER 16 N 0.00 0.01 0.00 2.45 0.87 -1.78 0.53 113.55 115.63 1kx7 h SER 16 Ca 0.00 -0.14 -0.32 0.00 -1.23 0.00 0.00 61.79 60.09 1kx7 h SER 16 Cb 0.65 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 1kx7 h SER 16 CO 0.00 0.15 -2.22 0.80 -0.53 0.00 0.00 176.83 175.03 1kx7 n MET 17 N -5.02 0.93 0.00 2.24 1.56 -1.23 -4.64 117.12 110.97 1kx7 n MET 17 Ca -0.07 0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 1kx7 n MET 17 Cb 0.09 -1.45 0.00 0.00 2.15 0.00 0.00 33.22 34.02 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 2.12 0.75 3.95 -5.12 0.00 1.00 -4.91 105.19 102.99 1kx7 n GLY 18 Ca -0.33 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.53 5.26 -1.86 1.61 1.01 0.09 -4.37 120.40 120.61 1kx7 s VAL 19 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1kx7 s VAL 19 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1kx7 s VAL 19 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 174.84 1kx7 n ALA 20 N -1.09 -0.44 -0.98 5.51 0.00 -1.26 -0.66 120.51 121.59 1kx7 n ALA 20 Ca -0.07 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1kx7 n ALA 20 Cb 0.56 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.62 0.66 3.73 0.00 0.00 -1.26 -4.99 105.19 102.71 1kx7 n GLY 21 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 1.00 1.43 -0.99 4.61 0.00 0.17 -5.00 120.51 121.73 1kx7 n ALA 22 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1kx7 n ALA 22 Cb 0.02 -2.32 0.15 0.00 0.00 0.00 0.00 19.45 17.30 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 -2.75 1.11 0.34 0.00 0.04 -1.26 -4.38 135.00 128.09 1kx7 s PRO 23 Ca 0.70 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1kx7 s PRO 23 Cb -0.43 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 1kx7 s PRO 23 CO 0.51 -2.42 0.79 0.21 0.04 0.00 0.00 177.00 176.13 1kx7 s LYS 24 N -4.79 4.10 0.00 4.56 2.20 -1.26 -4.33 119.74 120.22 1kx7 s LYS 24 Ca 0.64 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1kx7 s LYS 24 Cb -0.20 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1kx7 s LYS 24 CO 0.58 0.14 1.00 -1.13 -0.36 0.00 0.00 175.35 175.58 1kx7 n SER 25 N -0.28 0.00 -4.51 1.43 3.41 0.18 -4.31 113.62 109.54 1kx7 n SER 25 Ca 0.04 1.00 -0.37 0.00 -0.26 0.00 0.00 58.87 59.27 1kx7 n SER 25 Cb 0.53 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1kx7 n SER 25 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1kx7 s HIS 26 N -3.00 3.14 0.22 7.33 -3.43 -1.26 -4.77 115.29 113.52 1kx7 s HIS 26 Ca 0.00 -0.19 -0.13 0.00 -0.80 0.00 0.00 55.06 53.94 1kx7 s HIS 26 Cb 0.00 -2.30 0.00 0.00 -1.43 0.00 0.00 32.58 28.85 1kx7 s HIS 26 CO 0.00 -0.27 0.45 -0.80 -2.00 0.00 0.00 174.74 172.11 1kx7 s ASN 27 N 1.68 -0.10 -0.11 7.38 0.01 -1.26 -5.09 114.94 117.45 1kx7 s ASN 27 Ca 0.07 -0.81 0.04 0.00 -0.71 0.00 0.00 52.86 51.44 1kx7 s ASN 27 Cb -0.15 0.55 -0.09 0.00 0.41 0.00 0.00 41.25 41.96 1kx7 s ASN 27 CO 0.07 -1.07 -0.05 0.41 -1.51 0.00 0.00 177.10 174.95 1kx7 n THR 28 N -0.34 0.67 0.65 1.60 -1.04 -1.26 -4.46 114.28 110.11 1kx7 n THR 28 Ca -0.05 -0.31 0.12 0.00 -2.04 0.00 0.00 64.05 61.77 1kx7 n THR 28 Cb 0.62 -0.86 0.23 0.00 -1.82 0.00 0.00 70.33 68.50 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kx7 n ALA 29 N -2.66 2.91 0.04 2.41 0.00 -1.26 -0.51 120.51 121.44 1kx7 n ALA 29 Ca -0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 1kx7 n ALA 29 Cb 0.76 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 1kx7 n ALA 29 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kx7 h ASP 30 N 0.00 0.00 0.08 0.00 1.82 -1.97 -3.38 116.42 112.97 1kx7 h ASP 30 Ca 0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.27 1kx7 h ASP 30 Cb 0.70 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.66 1kx7 h ASP 30 CO 0.00 0.72 -2.24 0.79 -1.61 0.00 0.00 179.24 176.90 1kx7 n TRP 31 N -3.04 0.55 -0.34 0.28 7.02 -1.20 -4.53 117.44 116.19 1kx7 n TRP 31 Ca -0.08 0.12 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 1kx7 n TRP 31 Cb 0.89 -1.07 -0.05 0.00 -2.42 0.00 0.00 31.31 28.65 1kx7 n TRP 31 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1kx7 h GLU 32 N 0.03 -0.09 0.00 -0.99 4.81 -0.98 0.33 114.58 117.69 1kx7 h GLU 32 Ca -0.50 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1kx7 h GLU 32 Cb 1.98 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1kx7 h GLU 32 CO -0.00 -0.06 0.00 -0.35 -0.73 0.00 0.00 179.01 177.87 1kx7 n PRO 33 N -5.35 0.46 -0.11 0.92 -0.04 -1.26 -2.50 135.00 127.11 1kx7 n PRO 33 Ca 0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.30 1kx7 n PRO 33 Cb 0.32 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.94 0.54 0.00 0.54 5.12 -0.01 -4.24 116.66 117.66 1kx7 n ARG 34 Ca 0.10 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 1kx7 n ARG 34 Cb 0.04 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 -3.49 0.00 -0.01 0.55 4.77 -0.52 -1.86 117.00 116.45 1kx7 n LEU 35 Ca -0.42 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 1kx7 n LEU 35 Cb 0.89 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.84 1kx7 n LEU 35 CO 0.15 0.00 -0.47 0.00 -1.33 0.00 0.00 177.39 175.74 1kx7 h ALA 36 N 1.43 0.71 0.00 -1.18 0.00 -1.72 -3.40 119.26 115.11 1kx7 h ALA 36 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 54.91 53.36 1kx7 h ALA 36 Cb 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1kx7 h ALA 36 CO 0.00 1.53 -1.04 1.63 0.00 0.00 0.00 179.25 181.38 1kx7 n LYS 37 N -3.11 0.52 0.00 0.00 5.02 -0.78 -5.12 118.16 114.69 1kx7 n LYS 37 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1kx7 n LYS 37 Cb 1.04 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 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 1.50 -0.55 1.92 0.72 0.00 -1.15 -5.05 105.19 102.58 1kx7 n GLY 38 Ca -0.23 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.04 0.12 1.61 0.24 -1.26 -4.29 118.33 114.79 1kx7 n VAL 39 Ca 0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1kx7 n VAL 39 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.95 0.05 -0.11 -1.34 9.92 -1.26 -2.39 116.55 118.48 1kx7 n ASP 40 Ca 0.00 -0.17 -0.24 0.00 -0.53 0.00 0.00 54.79 53.85 1kx7 n ASP 40 Cb 0.00 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.34 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 1.92 0.08 -2.24 3.02 -1.26 -4.35 115.26 112.49 1kx7 n ASN 41 Ca 0.00 0.36 -0.13 0.00 -0.03 0.00 0.00 54.58 54.78 1kx7 n ASN 41 Cb 0.01 -0.90 -0.13 0.00 -0.61 0.00 0.00 39.78 38.15 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 -0.87 0.28 -1.76 3.41 3.38 -1.73 -2.72 115.31 115.30 1kx7 h LEU 42 Ca -0.46 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.34 1kx7 h LEU 42 Cb 1.48 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 1kx7 h LEU 42 CO -0.24 1.25 0.45 1.62 0.09 0.00 0.00 178.44 181.61 1kx7 h VAL 43 N 0.05 0.78 -0.58 1.22 3.04 -1.81 0.10 116.25 119.04 1kx7 h VAL 43 Ca -0.12 -0.08 -0.06 0.00 -1.01 0.00 0.00 66.70 65.43 1kx7 h VAL 43 Cb 1.92 0.51 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 1kx7 h VAL 43 CO 0.17 0.04 0.12 0.11 -1.01 0.00 0.00 177.57 177.01 1kx7 h LYS 44 N 0.24 0.95 -0.22 4.17 1.79 -1.68 -1.17 116.57 120.64 1kx7 h LYS 44 Ca 0.32 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 1kx7 h LYS 44 Cb 0.90 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1kx7 h LYS 44 CO -0.07 0.89 -0.29 0.77 -1.08 0.00 0.00 179.45 179.67 1kx7 h SER 45 N 0.85 0.45 0.15 0.86 0.02 -1.20 -1.89 113.55 112.79 1kx7 h SER 45 Ca 0.18 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1kx7 h SER 45 Cb 0.38 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1kx7 h SER 45 CO 0.01 0.73 -0.14 0.58 -1.14 0.00 0.00 176.83 176.86 1kx7 h VAL 46 N 0.39 0.69 -0.84 2.27 2.07 -0.48 0.11 116.25 120.46 1kx7 h VAL 46 Ca 0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1kx7 h VAL 46 Cb 0.71 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1kx7 h VAL 46 CO 0.05 0.00 0.55 0.07 0.02 0.00 0.00 177.57 178.26 1kx7 h LYS 47 N -0.32 0.82 -0.09 1.57 2.10 -1.13 0.18 116.57 119.70 1kx7 h LYS 47 Ca -0.00 -0.05 -0.15 0.00 -2.00 0.00 0.00 60.65 58.45 1kx7 h LYS 47 Cb 0.30 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1kx7 h LYS 47 CO -0.03 0.54 -0.60 0.00 -2.00 0.00 0.00 179.45 177.37 1kx7 h THR 48 N 0.85 1.37 -3.11 0.07 1.03 -0.68 -2.70 112.91 109.74 1kx7 h THR 48 Ca 0.38 -1.95 0.00 0.00 -0.01 0.00 0.00 66.41 64.83 1kx7 h THR 48 Cb 0.35 1.96 -0.01 0.00 -1.07 0.00 0.00 68.15 69.38 1kx7 h THR 48 CO -0.15 0.58 -0.08 0.61 -0.01 0.00 0.00 175.52 176.47 1kx7 n GLY 49 N 0.28 -3.03 3.54 2.99 0.00 0.34 -4.60 105.19 104.71 1kx7 n GLY 49 Ca -0.03 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 1.29 0.14 0.99 0.20 -1.12 -4.81 118.68 115.33 1kx7 s LEU 50 Ca -0.01 1.64 -0.31 0.00 0.69 0.00 0.00 54.13 56.14 1kx7 s LEU 50 Cb 0.00 -3.67 -0.06 0.00 -0.43 0.00 0.00 46.19 42.03 1kx7 s LEU 50 CO 0.04 -3.92 1.56 0.78 -0.29 0.00 0.00 176.35 174.52 1kx7 h ASN 51 N -2.43 -1.76 -0.41 3.68 2.35 -1.97 0.20 115.58 115.25 1kx7 h ASN 51 Ca -0.57 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1kx7 h ASN 51 Cb 1.32 0.74 0.00 0.00 0.05 0.00 0.00 38.32 40.43 1kx7 h ASN 51 CO 0.49 -0.38 0.00 0.00 -1.65 0.00 0.00 177.43 175.89 1kx7 n ALA 52 N -3.11 3.42 -3.42 -0.83 0.00 -1.26 -4.89 120.51 110.42 1kx7 n ALA 52 Ca -0.02 -1.32 -0.28 0.00 0.00 0.00 0.00 53.44 51.82 1kx7 n ALA 52 Cb 0.34 -1.08 -0.17 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.18 2.24 0.83 0.00 0.00 0.72 -5.04 119.30 115.86 1kx7 s MET 53 Ca 0.38 -0.59 -0.12 0.00 0.00 0.00 0.00 55.69 55.36 1kx7 s MET 53 Cb 0.29 -1.79 0.10 0.00 0.00 0.00 0.00 34.83 33.42 1kx7 s MET 53 CO 0.12 0.06 1.15 -1.25 0.00 0.00 0.00 175.02 175.10 1kx7 s PRO 54 N 0.62 1.61 0.60 4.11 0.04 -1.26 -2.78 135.00 137.94 1kx7 s PRO 54 Ca -0.14 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 1kx7 s PRO 54 Cb -0.16 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1kx7 s PRO 54 CO 0.04 -2.19 1.33 -1.25 0.04 0.00 0.00 177.00 174.98 1kx7 s PRO 55 N -4.49 2.84 -1.24 0.56 0.04 -1.26 -2.12 135.00 129.33 1kx7 s PRO 55 Ca 0.68 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.86 1kx7 s PRO 55 Cb -0.23 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1kx7 s PRO 55 CO 0.54 -1.40 0.15 0.41 0.04 0.00 0.00 177.00 176.74 1kx7 n GLY 56 N 0.81 -0.50 2.96 0.56 0.00 0.56 -1.19 105.19 108.40 1kx7 n GLY 56 Ca 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.97 -0.48 1.88 -0.02 0.00 -0.76 -0.46 105.19 104.37 1kx7 n GLY 57 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.96 0.00 -3.70 1.61 1.56 -0.33 -4.25 117.12 109.06 1kx7 n MET 58 Ca 0.00 0.14 -0.21 0.00 -0.27 0.00 0.00 57.70 57.36 1kx7 n MET 58 Cb 0.51 -3.42 -0.03 0.00 2.15 0.00 0.00 33.22 32.43 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 -1.46 0.00 -1.38 0.00 -1.04 -1.26 -4.70 114.28 104.44 1kx7 n THR 60 Ca -0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 1kx7 n THR 60 Cb 0.60 -0.39 -0.01 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 0.00 6.74 -4.64 8.00 -0.08 -1.26 -4.93 116.55 120.38 1kx7 n ASP 61 Ca 0.00 -3.31 -0.43 0.00 -1.51 0.00 0.00 54.79 49.54 1kx7 n ASP 61 Cb 0.00 -1.14 -0.02 0.00 2.34 0.00 0.00 41.12 42.30 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx7 s THR 63 N 4.12 4.39 0.13 0.00 2.01 -1.26 -4.82 115.64 120.22 1kx7 s THR 63 Ca 0.54 1.49 -0.14 0.00 0.31 0.00 0.00 61.69 63.89 1kx7 s THR 63 Cb -0.16 -3.61 0.10 0.00 0.01 0.00 0.00 72.50 68.83 1kx7 s THR 63 CO 0.20 -0.30 0.99 0.47 -0.69 0.00 0.00 174.62 175.29 1kx7 n ASP 64 N -0.59 -0.49 -0.10 3.53 9.92 -1.26 -0.43 116.55 127.12 1kx7 n ASP 64 Ca 0.07 1.12 -0.09 0.00 -0.53 0.00 0.00 54.79 55.36 1kx7 n ASP 64 Cb 0.54 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.30 -0.08 -1.24 5.08 -1.98 0.29 114.58 116.34 1kx7 h GLU 65 Ca 0.19 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 1kx7 h GLU 65 Cb 0.35 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1kx7 h GLU 65 CO -0.62 -0.20 -0.74 -0.44 -1.00 0.00 0.00 179.01 176.00 1kx7 h ASP 66 N -0.31 0.54 -0.09 1.42 5.19 -1.65 0.38 116.42 121.90 1kx7 h ASP 66 Ca 0.15 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.22 1kx7 h ASP 66 Cb 0.56 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1kx7 h ASP 66 CO -0.53 1.11 -0.07 1.88 -3.12 0.00 0.00 179.24 178.51 1kx7 h TYR 67 N 0.31 -0.17 0.05 4.55 0.05 -0.32 0.62 116.97 122.06 1kx7 h TYR 67 Ca -0.04 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1kx7 h TYR 67 Cb 1.33 0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.16 1kx7 h TYR 67 CO 0.05 -0.11 -0.02 0.87 -1.05 0.00 0.00 178.16 177.90 1kx7 h LYS 68 N -0.08 -0.06 -1.01 4.88 1.57 -0.30 0.15 116.57 121.73 1kx7 h LYS 68 Ca 0.06 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.09 1kx7 h LYS 68 Cb 0.17 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.37 1kx7 h LYS 68 CO -0.14 0.18 0.60 0.00 -0.57 0.00 0.00 179.45 179.52 1kx7 h ALA 69 N 0.65 1.83 -0.08 3.86 0.00 -0.88 0.22 119.26 124.86 1kx7 h ALA 69 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1kx7 h ALA 69 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kx7 h ALA 69 CO 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 179.25 178.87 1kx7 h ALA 70 N 1.72 0.13 -0.28 0.00 0.00 0.11 0.11 119.26 121.04 1kx7 h ALA 70 Ca 0.64 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1kx7 h ALA 70 Cb 1.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1kx7 h ALA 70 CO -0.46 -0.03 0.02 0.82 0.00 0.00 0.00 179.25 179.60 1kx7 h ILE 71 N -0.22 0.82 0.00 0.00 2.04 -0.03 -2.83 117.51 117.29 1kx7 h ILE 71 Ca 0.01 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1kx7 h ILE 71 Cb 0.62 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1kx7 h ILE 71 CO 0.02 0.02 -0.37 1.05 0.00 0.00 0.00 178.15 178.87 1kx7 h GLU 72 N 0.11 0.00 -0.63 2.37 -0.00 -0.63 -3.04 114.58 112.77 1kx7 h GLU 72 Ca 0.13 0.00 0.12 0.00 -0.00 0.00 0.00 59.36 59.62 1kx7 h GLU 72 Cb 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 28.80 1kx7 h GLU 72 CO -0.21 0.37 -0.19 0.35 -0.00 0.00 0.00 179.01 179.34 1kx7 h PHE 73 N 0.00 -0.43 -0.19 2.06 3.04 -0.50 -2.24 116.94 118.68 1kx7 h PHE 73 Ca -0.00 0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 1kx7 h PHE 73 Cb 1.04 0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.84 1kx7 h PHE 73 CO 0.00 -0.29 -0.27 0.52 -2.02 0.00 0.00 178.31 176.25 1kx7 h MET 74 N -0.03 0.52 0.00 1.11 2.86 -1.57 -3.48 114.93 114.34 1kx7 h MET 74 Ca 0.30 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1kx7 h MET 74 Cb 0.48 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1kx7 h MET 74 CO -0.66 0.90 0.00 0.45 1.06 0.00 0.00 176.91 178.66 1kx7 n SER 75 N -4.38 0.00 0.00 1.22 2.88 -0.84 -4.79 113.62 107.71 1kx7 n SER 75 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1kx7 n SER 75 Cb 0.45 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.40 0.00 0.00 -1.46 2.85 -1.25 -4.71 118.16 112.20 1kx7 n LYS 76 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1kx7 n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 0.00 0.00 1.09 0.58 0.00 -1.26 -4.69 120.51 116.23 1kx7 n ALA 77 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1kx7 n ALA 77 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86