#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 -1.28 -0.67 0.00 -4.77 -1.26 -4.98 116.67 103.71 1kx7 s ASP -2 Ca 0.00 0.73 0.01 0.00 -3.30 0.00 0.00 52.55 49.99 1kx7 s ASP -2 Cb 0.00 2.05 0.17 0.00 -1.09 0.00 0.00 42.92 44.04 1kx7 s ASP -2 CO 0.00 -0.24 0.47 -0.22 0.70 0.00 0.00 175.17 175.88 1kx7 s LEU -1 N 2.87 4.99 -0.01 2.11 2.96 -1.26 -4.81 118.68 125.53 1kx7 s LEU -1 Ca 0.17 -3.27 0.07 0.00 -0.22 0.00 0.00 54.13 50.89 1kx7 s LEU -1 Cb -0.14 -1.77 -0.11 0.00 0.50 0.00 0.00 46.19 44.67 1kx7 s LEU -1 CO -0.20 -0.24 0.16 1.67 -1.32 0.00 0.00 176.35 176.41 1kx7 n GLN 1 N 2.86 0.30 -0.06 1.98 7.27 -1.26 -5.06 117.38 123.40 1kx7 n GLN 1 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1kx7 n GLN 1 Cb 0.36 -1.17 0.00 0.00 2.41 0.00 0.00 30.24 31.83 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 -1.77 0.00 -0.02 1.69 -0.08 -1.26 -5.10 116.55 110.02 1kx7 n ASP 2 Ca -0.02 -0.04 -0.02 0.00 -1.51 0.00 0.00 54.79 53.20 1kx7 n ASP 2 Cb 0.21 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.65 1kx7 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx7 n ALA 3 N -3.00 1.95 -0.13 -1.67 0.00 -1.26 -4.42 120.51 111.98 1kx7 n ALA 3 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1kx7 n ALA 3 Cb 0.00 0.43 0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.00 4.81 -1.92 -2.01 114.58 115.82 1kx7 h GLU 4 Ca -0.07 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1kx7 h GLU 4 Cb 1.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1kx7 h GLU 4 CO -0.01 0.24 -0.32 0.00 -0.73 0.00 0.00 179.01 178.18 1kx7 h ALA 5 N 1.24 1.40 0.19 2.92 0.00 -1.96 0.16 119.26 123.20 1kx7 h ALA 5 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1kx7 h ALA 5 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kx7 h ALA 5 CO -0.15 0.40 -0.09 0.82 0.00 0.00 0.00 179.25 180.23 1kx7 h ILE 6 N 0.00 0.92 -0.45 0.00 5.03 -1.67 0.93 117.51 122.27 1kx7 h ILE 6 Ca -0.00 -0.77 -0.13 0.00 -0.12 0.00 0.00 64.86 63.84 1kx7 h ILE 6 Cb 0.59 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.74 1kx7 h ILE 6 CO 0.04 0.17 -0.23 0.10 -0.68 0.00 0.00 178.15 177.55 1kx7 h TYR 7 N -0.64 1.10 0.00 1.37 -0.00 -0.94 0.14 116.97 117.99 1kx7 h TYR 7 Ca -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 58.73 58.40 1kx7 h TYR 7 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 36.73 36.94 1kx7 h TYR 7 CO 0.04 1.09 -0.13 -0.97 -0.00 0.00 0.00 178.16 178.20 1kx7 h ASN 8 N 0.79 0.00 0.20 0.10 -1.24 -0.72 -0.60 115.58 114.12 1kx7 h ASN 8 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.81 1kx7 h ASN 8 Cb 0.81 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 -2.07 1.17 -1.29 0.00 0.00 177.43 175.43 1kx7 n LYS 9 N -3.32 0.66 -0.01 6.67 4.81 0.32 -4.67 118.16 122.62 1kx7 n LYS 9 Ca -0.00 0.08 -0.03 0.00 -0.87 0.00 0.00 58.31 57.49 1kx7 n LYS 9 Cb 0.35 -1.62 -0.01 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.62 1.69 0.70 3.14 0.00 0.47 -4.61 120.51 119.27 1kx7 n ALA 10 Ca -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1kx7 n ALA 10 Cb 1.05 0.08 0.00 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 0.61 0.52 -0.09 0.00 5.66 -1.10 -3.66 114.28 116.22 1kx7 n THR 12 Ca 0.00 -0.76 -0.15 0.00 -3.05 0.00 0.00 64.05 60.09 1kx7 n THR 12 Cb 0.33 0.86 -0.07 0.00 -1.55 0.00 0.00 70.33 69.90 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 0.61 0.97 -0.05 1.08 0.31 -1.26 -4.56 118.33 115.43 1kx7 n VAL 13 Ca 0.10 -0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 64.06 1kx7 n VAL 13 Cb 0.37 -1.38 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 -0.66 0.00 -0.45 0.00 3.86 -1.84 0.37 115.15 116.43 1kx7 h HIS 15 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1kx7 h HIS 15 Cb 0.52 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 1kx7 h HIS 15 CO -0.22 0.23 0.25 1.03 0.86 0.00 0.00 177.93 180.08 1kx7 h SER 16 N 0.00 0.40 0.00 2.45 0.87 -1.80 -3.02 113.55 112.44 1kx7 h SER 16 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1kx7 h SER 16 Cb 0.86 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1kx7 h SER 16 CO 0.03 0.28 -1.42 0.23 -0.53 0.00 0.00 176.83 175.42 1kx7 n MET 17 N -4.86 0.40 -1.06 2.24 2.81 -1.21 -4.85 117.12 110.60 1kx7 n MET 17 Ca 0.03 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1kx7 n MET 17 Cb 0.08 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kx7 n GLY 18 N 2.02 0.56 3.94 3.03 0.00 0.11 -5.06 105.19 109.78 1kx7 n GLY 18 Ca -0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.10 4.69 -1.97 1.61 1.01 0.16 -4.23 120.40 119.58 1kx7 s VAL 19 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1kx7 s VAL 19 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1kx7 s VAL 19 CO 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 175.10 174.58 1kx7 n ALA 20 N -1.96 -0.28 -1.83 5.51 0.00 -1.26 -0.74 120.51 119.95 1kx7 n ALA 20 Ca -0.02 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1kx7 n ALA 20 Cb 0.57 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.35 0.39 3.77 0.00 0.00 -1.26 -5.01 105.19 102.73 1kx7 n GLY 21 Ca -0.19 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.38 3.18 -0.14 4.61 0.00 0.08 -5.01 121.76 122.10 1kx7 s ALA 22 Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 1kx7 s ALA 22 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1kx7 s ALA 22 CO 0.00 -0.14 1.01 -1.25 0.00 0.00 0.00 175.76 175.37 1kx7 s PRO 23 N -2.15 4.38 0.41 0.00 0.04 -1.26 -4.54 135.00 131.87 1kx7 s PRO 23 Ca 0.53 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1kx7 s PRO 23 Cb -0.24 -3.57 -0.10 0.00 0.04 0.00 0.00 34.50 30.63 1kx7 s PRO 23 CO 0.30 -0.39 1.32 1.17 0.04 0.00 0.00 177.00 179.45 1kx7 n LYS 24 N 5.33 2.10 -0.01 4.56 4.81 -1.26 -4.84 118.16 128.84 1kx7 n LYS 24 Ca 0.09 0.74 -0.12 0.00 -0.87 0.00 0.00 58.31 58.16 1kx7 n LYS 24 Cb 0.48 -2.45 -0.06 0.00 0.02 0.00 0.00 35.03 33.03 1kx7 n LYS 24 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1kx7 h SER 25 N 2.30 -1.31 -3.74 3.14 0.02 -1.86 -3.34 113.55 108.76 1kx7 h SER 25 Ca -0.48 0.18 -0.72 0.00 -0.84 0.00 0.00 61.79 59.92 1kx7 h SER 25 Cb 1.28 0.54 -0.32 0.00 0.14 0.00 0.00 62.40 64.04 1kx7 h SER 25 CO 0.61 -0.42 -0.31 -1.38 -1.14 0.00 0.00 176.83 174.20 1kx7 s HIS 26 N -5.89 3.50 0.19 3.45 -3.43 -1.26 -4.60 115.29 107.25 1kx7 s HIS 26 Ca -0.15 -2.29 0.01 0.00 -0.80 0.00 0.00 55.06 51.83 1kx7 s HIS 26 Cb 0.10 -3.41 -0.05 0.00 -1.43 0.00 0.00 32.58 27.79 1kx7 s HIS 26 CO 0.64 -0.93 0.04 -0.80 -2.00 0.00 0.00 174.74 171.70 1kx7 s ASN 27 N 1.71 1.02 -0.16 7.38 0.01 -1.26 -5.08 114.94 118.56 1kx7 s ASN 27 Ca 0.13 -1.25 0.03 0.00 -0.71 0.00 0.00 52.86 51.05 1kx7 s ASN 27 Cb -0.21 0.17 -0.12 0.00 0.41 0.00 0.00 41.25 41.51 1kx7 s ASN 27 CO -0.04 -0.65 -0.12 0.41 -1.51 0.00 0.00 177.10 175.19 1kx7 n THR 28 N -0.29 0.94 0.50 1.60 -1.04 -1.26 -4.48 114.28 110.25 1kx7 n THR 28 Ca -0.04 -0.39 0.12 0.00 -2.04 0.00 0.00 64.05 61.71 1kx7 n THR 28 Cb 0.64 -1.03 0.26 0.00 -1.82 0.00 0.00 70.33 68.39 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 0.09 0.83 0.00 2.41 0.00 -1.99 0.94 119.26 121.53 1kx7 h ALA 29 Ca -0.37 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1kx7 h ALA 29 Cb 1.61 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1kx7 h ALA 29 CO -0.05 0.00 -1.16 0.22 0.00 0.00 0.00 179.25 178.26 1kx7 h ASP 30 N 0.00 0.00 0.09 0.00 1.82 -1.95 -3.37 116.42 113.01 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 0.81 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.76 1kx7 h ASP 30 CO 0.00 0.35 -2.25 0.79 -1.61 0.00 0.00 179.24 176.52 1kx7 n TRP 31 N -2.84 0.40 -0.32 0.28 7.02 -1.13 -4.55 117.44 116.31 1kx7 n TRP 31 Ca -0.05 0.11 -0.10 0.00 -1.02 0.00 0.00 57.50 56.44 1kx7 n TRP 31 Cb 0.72 -1.06 -0.07 0.00 -2.42 0.00 0.00 31.31 28.48 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 0.02 -0.12 -0.42 -0.99 5.08 -0.97 0.19 114.58 117.36 1kx7 h GLU 32 Ca -0.50 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1kx7 h GLU 32 Cb 2.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1kx7 h GLU 32 CO 0.00 -0.08 0.00 -0.35 -1.00 0.00 0.00 179.01 177.58 1kx7 n PRO 33 N -5.33 0.76 -0.02 2.33 -0.04 -1.26 -2.79 135.00 128.64 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 0.31 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.10 0.00 0.54 5.12 -0.11 -4.56 116.66 117.60 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 -2.94 0.00 0.00 0.55 4.77 -0.23 -1.97 117.00 117.19 1kx7 n LEU 35 Ca -0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1kx7 n LEU 35 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1kx7 n LEU 35 CO 0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 177.39 175.76 1kx7 h ALA 36 N 1.41 0.64 0.00 -1.18 0.00 -1.79 -3.38 119.26 114.96 1kx7 h ALA 36 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 54.91 53.53 1kx7 h ALA 36 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1kx7 h ALA 36 CO 0.00 1.48 -0.70 0.87 0.00 0.00 0.00 179.25 180.90 1kx7 h LYS 37 N 0.00 0.00 0.00 0.00 1.79 -1.71 -3.52 116.57 113.13 1kx7 h LYS 37 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1kx7 h LYS 37 Cb 1.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.59 1kx7 h LYS 37 CO 0.10 0.40 0.00 0.41 -1.08 0.00 0.00 179.45 179.27 1kx7 n GLY 38 N 1.57 -0.56 1.59 3.86 0.00 -1.20 -5.03 105.19 105.42 1kx7 n GLY 38 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.45 0.13 1.61 0.31 -1.26 -4.21 118.33 115.36 1kx7 n VAL 39 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1kx7 n VAL 39 Cb 0.00 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kx7 n ASP 40 N -3.38 3.38 -0.01 4.52 9.92 -1.26 -2.90 116.55 126.83 1kx7 n ASP 40 Ca 0.00 -1.87 -0.05 0.00 -0.53 0.00 0.00 54.79 52.34 1kx7 n ASP 40 Cb 0.03 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 39.83 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 1.16 1.24 0.19 -2.24 3.02 -1.26 -4.70 115.26 112.67 1kx7 n ASN 41 Ca 0.00 0.19 0.03 0.00 -0.03 0.00 0.00 54.58 54.77 1kx7 n ASN 41 Cb 0.39 -0.43 0.39 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.35 0.00 -1.79 3.41 3.38 -1.77 0.06 115.31 118.25 1kx7 h LEU 42 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1kx7 h LEU 42 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1kx7 h LEU 42 CO -0.04 0.34 0.19 1.62 0.09 0.00 0.00 178.44 180.65 1kx7 h VAL 43 N 0.00 0.00 0.06 1.22 3.04 -1.82 0.68 116.25 119.42 1kx7 h VAL 43 Ca -0.00 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.33 1kx7 h VAL 43 Cb 0.63 0.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.47 1kx7 h VAL 43 CO 0.04 0.00 -1.99 0.29 -1.01 0.00 0.00 177.57 174.90 1kx7 n LYS 44 N -2.58 0.68 0.11 4.17 5.02 0.00 -3.25 118.16 122.31 1kx7 n LYS 44 Ca -0.02 0.31 0.04 0.00 -2.02 0.00 0.00 58.31 56.62 1kx7 n LYS 44 Cb 0.23 -1.66 0.46 0.00 -0.02 0.00 0.00 35.03 34.05 1kx7 n LYS 44 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1kx7 h SER 45 N -0.30 0.26 -0.25 4.39 0.02 -1.32 0.36 113.55 116.71 1kx7 h SER 45 Ca -0.47 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.30 1kx7 h SER 45 Cb 1.80 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 1kx7 h SER 45 CO -0.07 0.28 -0.41 1.62 -1.14 0.00 0.00 176.83 177.10 1kx7 h VAL 46 N 0.29 1.28 -0.08 2.27 3.04 -1.08 -1.06 116.25 120.91 1kx7 h VAL 46 Ca 0.07 -1.59 -0.14 0.00 -1.01 0.00 0.00 66.70 64.03 1kx7 h VAL 46 Cb 0.13 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1kx7 h VAL 46 CO -0.00 0.52 -0.57 0.07 -1.01 0.00 0.00 177.57 176.58 1kx7 h LYS 47 N 0.65 0.24 -0.02 4.17 2.10 -1.00 0.36 116.57 123.08 1kx7 h LYS 47 Ca 0.05 -0.16 -0.23 0.00 -2.00 0.00 0.00 60.65 58.31 1kx7 h LYS 47 Cb 0.98 0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1kx7 h LYS 47 CO 0.09 0.75 -0.92 0.00 -2.00 0.00 0.00 179.45 177.36 1kx7 h THR 48 N 0.19 1.37 -1.06 0.07 1.03 -1.06 0.32 112.91 113.76 1kx7 h THR 48 Ca -0.00 -2.35 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 1kx7 h THR 48 Cb 1.05 2.35 0.00 0.00 -1.07 0.00 0.00 68.15 70.48 1kx7 h THR 48 CO 0.09 0.71 0.00 0.61 -0.01 0.00 0.00 175.52 176.92 1kx7 n GLY 49 N 0.91 -2.81 0.00 2.99 0.00 -0.40 -4.26 105.19 101.62 1kx7 n GLY 49 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.00 0.02 0.99 7.94 -1.23 -4.82 117.00 119.90 1kx7 n LEU 50 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1kx7 n LEU 50 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1kx7 n LEU 50 CO 0.00 -0.01 0.10 0.78 -1.11 0.00 0.00 177.39 177.15 1kx7 h ASN 51 N 0.00 -0.07 1.22 1.96 2.35 -1.99 -3.34 115.58 115.71 1kx7 h ASN 51 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kx7 h ASN 51 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1kx7 h ASN 51 CO 0.00 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1kx7 n ALA 52 N -2.21 2.29 -2.62 -0.83 0.00 -1.26 -4.78 120.51 111.10 1kx7 n ALA 52 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1kx7 n ALA 52 Cb 0.03 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 1kx7 n ALA 52 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kx7 s MET 53 N -3.05 4.50 0.44 0.00 -1.94 -1.25 -5.05 119.30 112.95 1kx7 s MET 53 Ca 0.12 1.52 -0.24 0.00 -1.71 0.00 0.00 55.69 55.39 1kx7 s MET 53 Cb 0.16 -3.44 -0.08 0.00 2.01 0.00 0.00 34.83 33.47 1kx7 s MET 53 CO 0.56 -0.15 1.18 -1.25 -0.01 0.00 0.00 175.02 175.35 1kx7 s PRO 54 N 1.18 3.83 0.19 2.03 0.04 -1.26 -3.63 135.00 137.39 1kx7 s PRO 54 Ca 0.54 1.84 -0.32 0.00 0.04 0.00 0.00 61.00 63.10 1kx7 s PRO 54 Cb -0.23 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.69 1kx7 s PRO 54 CO 0.27 -0.51 1.67 -1.25 0.04 0.00 0.00 177.00 177.22 1kx7 s PRO 55 N -2.56 4.16 -0.51 0.56 0.04 -1.26 -1.85 135.00 133.58 1kx7 s PRO 55 Ca 0.62 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.18 1kx7 s PRO 55 Cb -0.30 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1kx7 s PRO 55 CO 0.37 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1kx7 n GLY 56 N 3.88 0.36 3.50 0.56 0.00 0.11 -3.95 105.19 109.66 1kx7 n GLY 56 Ca 0.15 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.45 3.32 -0.02 0.00 0.08 0.07 105.19 106.75 1kx7 n GLY 57 Ca -0.06 0.04 -0.23 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 -3.31 -6.63 -4.37 1.61 1.56 -1.25 -4.41 117.12 100.32 1kx7 n MET 58 Ca 0.05 0.83 -0.23 0.00 -0.27 0.00 0.00 57.70 58.09 1kx7 n MET 58 Cb 0.48 -5.74 -0.13 0.00 2.15 0.00 0.00 33.22 29.98 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 -0.78 0.00 -1.04 -1.26 -4.82 114.28 107.84 1kx7 n THR 60 Ca -0.19 0.02 -0.07 0.00 -2.04 0.00 0.00 64.05 61.77 1kx7 n THR 60 Cb 0.54 -0.70 -0.10 0.00 -1.82 0.00 0.00 70.33 68.25 1kx7 n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1kx7 n ASP 61 N -1.39 5.04 -4.18 8.00 8.00 -1.26 -4.85 116.55 125.92 1kx7 n ASP 61 Ca 0.00 -2.40 -0.26 0.00 0.71 0.00 0.00 54.79 52.84 1kx7 n ASP 61 Cb 0.00 -1.25 -0.16 0.00 -0.02 0.00 0.00 41.12 39.69 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kx7 n THR 63 N 2.76 0.00 0.00 0.00 -1.04 -1.26 -5.04 114.28 109.69 1kx7 n THR 63 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1kx7 n THR 63 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1kx7 n THR 63 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1kx7 n ASP 64 N 0.00 0.01 -0.23 8.00 8.00 -1.26 -4.66 116.55 126.40 1kx7 n ASP 64 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1kx7 n ASP 64 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1kx7 h GLU 65 N 0.00 -0.25 0.00 -1.24 5.08 -1.99 0.41 114.58 116.59 1kx7 h GLU 65 Ca 0.00 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1kx7 h GLU 65 Cb 0.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1kx7 h GLU 65 CO 0.00 -0.16 -0.71 -0.44 -1.00 0.00 0.00 179.01 176.69 1kx7 h ASP 66 N -0.26 0.00 -0.45 1.42 3.32 -1.91 -2.72 116.42 115.82 1kx7 h ASP 66 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1kx7 h ASP 66 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1kx7 h ASP 66 CO -0.70 0.71 0.22 0.22 -1.72 0.00 0.00 179.24 177.98 1kx7 h TYR 67 N 0.00 0.64 0.57 4.55 3.20 -1.55 0.60 116.97 124.98 1kx7 h TYR 67 Ca -0.01 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1kx7 h TYR 67 Cb 1.26 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 39.34 1kx7 h TYR 67 CO 0.00 0.51 -0.27 0.87 -1.64 0.00 0.00 178.16 177.62 1kx7 h LYS 68 N 0.58 -0.74 -0.91 1.82 6.56 -0.23 -2.50 116.57 121.15 1kx7 h LYS 68 Ca 0.15 0.05 0.23 0.00 -1.06 0.00 0.00 60.65 60.02 1kx7 h LYS 68 Cb 0.10 0.17 -0.06 0.00 -0.57 0.00 0.00 32.23 31.87 1kx7 h LYS 68 CO -0.02 -0.45 0.62 0.00 -2.06 0.00 0.00 179.45 177.54 1kx7 h ALA 69 N -0.52 2.43 -0.18 3.86 0.00 -1.35 0.20 119.26 123.71 1kx7 h ALA 69 Ca -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1kx7 h ALA 69 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1kx7 h ALA 69 CO 0.13 -0.72 0.01 0.00 0.00 0.00 0.00 179.25 178.68 1kx7 h ALA 70 N 1.59 0.24 -0.34 0.00 0.00 -0.64 0.30 119.26 120.42 1kx7 h ALA 70 Ca 0.46 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1kx7 h ALA 70 Cb 1.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1kx7 h ALA 70 CO -0.13 -0.07 0.11 0.82 0.00 0.00 0.00 179.25 179.98 1kx7 h ILE 71 N 0.07 0.90 -0.47 0.00 5.03 -0.64 -3.00 117.51 119.41 1kx7 h ILE 71 Ca 0.05 -0.09 -0.06 0.00 -0.12 0.00 0.00 64.86 64.65 1kx7 h ILE 71 Cb 0.35 0.62 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 1kx7 h ILE 71 CO 0.01 0.05 0.05 -0.33 -0.68 0.00 0.00 178.15 177.24 1kx7 h GLU 72 N 0.25 0.74 -0.54 2.37 5.08 -0.52 -2.80 114.58 119.17 1kx7 h GLU 72 Ca 0.15 -0.17 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1kx7 h GLU 72 Cb 0.13 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 1kx7 h GLU 72 CO -0.16 0.72 -0.11 0.35 -1.00 0.00 0.00 179.01 178.81 1kx7 h PHE 73 N 0.70 -0.24 -0.29 4.33 3.04 -0.26 -2.42 116.94 121.81 1kx7 h PHE 73 Ca 0.15 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 1kx7 h PHE 73 Cb 0.37 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1kx7 h PHE 73 CO 0.02 -0.21 -0.01 0.52 -2.02 0.00 0.00 178.31 176.60 1kx7 h MET 74 N 0.02 0.52 0.00 1.11 2.86 -1.54 -3.47 114.93 114.43 1kx7 h MET 74 Ca 0.26 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1kx7 h MET 74 Cb 0.40 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1kx7 h MET 74 CO -0.53 0.68 0.00 0.45 1.06 0.00 0.00 176.91 178.57 1kx7 n SER 75 N -4.56 0.00 0.00 1.22 2.88 -0.91 -4.67 113.62 107.58 1kx7 n SER 75 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1kx7 n SER 75 Cb 0.27 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -2.23 0.00 0.00 -1.46 2.85 -1.23 -4.77 118.16 111.32 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 0.97 0.58 0.00 -1.26 -4.68 120.51 116.13 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 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86