#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 -1.09 -1.16 0.00 -4.77 -1.26 -5.06 116.67 103.32 1kx7 s ASP -2 Ca 0.00 1.49 -0.13 0.00 -3.30 0.00 0.00 52.55 50.61 1kx7 s ASP -2 Cb 0.00 2.24 -0.07 0.00 -1.09 0.00 0.00 42.92 44.00 1kx7 s ASP -2 CO 0.00 -0.21 2.27 0.18 0.70 0.00 0.00 175.17 178.11 1kx7 n LEU -1 N 5.40 6.01 -0.03 2.11 7.99 -1.26 -4.09 117.00 133.13 1kx7 n LEU -1 Ca -0.12 -3.52 -0.02 0.00 -0.01 0.00 0.00 56.01 52.34 1kx7 n LEU -1 Cb 0.49 -1.34 -0.07 0.00 -0.11 0.00 0.00 43.42 42.40 1kx7 n LEU -1 CO -0.04 0.79 -0.73 0.00 -1.51 0.00 0.00 177.39 175.89 1kx7 n GLN 1 N 5.32 2.09 -3.48 3.23 1.13 -1.26 -4.98 117.38 119.43 1kx7 n GLN 1 Ca 0.55 -0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 55.51 1kx7 n GLN 1 Cb 0.29 -1.21 -0.08 0.00 0.11 0.00 0.00 30.24 29.34 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 -3.80 -0.05 0.55 1.08 -1.08 -1.26 -5.03 116.67 107.08 1kx7 s ASP 2 Ca -0.04 0.60 0.25 0.00 -0.52 0.00 0.00 52.55 52.84 1kx7 s ASP 2 Cb 0.03 1.26 1.47 0.00 -1.46 0.00 0.00 42.92 44.23 1kx7 s ASP 2 CO 0.35 -0.27 2.06 0.00 0.52 0.00 0.00 175.17 177.83 1kx7 h ALA 3 N 8.17 2.15 -0.32 3.66 0.00 -1.91 0.23 119.26 131.24 1kx7 h ALA 3 Ca -0.18 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1kx7 h ALA 3 Cb 1.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1kx7 h ALA 3 CO 0.20 -0.41 0.07 1.49 0.00 0.00 0.00 179.25 180.60 1kx7 h GLU 4 N 0.00 0.18 -0.22 0.00 4.81 -1.92 -0.16 114.58 117.27 1kx7 h GLU 4 Ca 0.15 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1kx7 h GLU 4 Cb 0.66 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1kx7 h GLU 4 CO -0.00 0.12 -0.32 0.00 -0.73 0.00 0.00 179.01 178.08 1kx7 h ALA 5 N 1.24 1.03 0.09 2.92 0.00 -1.02 0.11 119.26 123.64 1kx7 h ALA 5 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1kx7 h ALA 5 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kx7 h ALA 5 CO -0.20 0.59 -0.04 0.82 0.00 0.00 0.00 179.25 180.42 1kx7 h ILE 6 N 0.40 1.08 -0.44 0.00 1.08 -0.83 0.16 117.51 118.95 1kx7 h ILE 6 Ca 0.05 -0.60 -0.12 0.00 -0.39 0.00 0.00 64.86 63.80 1kx7 h ILE 6 Cb 0.76 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1kx7 h ILE 6 CO 0.06 0.15 -0.18 0.10 -0.69 0.00 0.00 178.15 177.58 1kx7 h TYR 7 N -0.39 1.03 0.00 1.37 -0.00 -0.82 0.18 116.97 118.34 1kx7 h TYR 7 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 58.73 58.45 1kx7 h TYR 7 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.82 1kx7 h TYR 7 CO 0.02 1.03 -0.10 -0.97 -0.00 0.00 0.00 178.16 178.14 1kx7 h ASN 8 N 0.73 0.00 0.41 0.10 -1.24 -0.74 0.21 115.58 115.06 1kx7 h ASN 8 Ca 0.10 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.83 1kx7 h ASN 8 Cb 0.75 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.75 1kx7 h ASN 8 CO 0.06 0.10 -1.81 1.17 -1.29 0.00 0.00 177.43 175.66 1kx7 n LYS 9 N -3.30 0.64 -0.01 6.67 0.00 0.55 -4.69 118.16 118.03 1kx7 n LYS 9 Ca -0.00 0.21 -0.02 0.00 0.00 0.00 0.00 58.31 58.50 1kx7 n LYS 9 Cb 0.32 -1.73 -0.01 0.00 0.00 0.00 0.00 35.03 33.61 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 -2.56 1.75 -0.33 3.14 0.00 0.62 -4.69 120.51 118.44 1kx7 n ALA 10 Ca -0.19 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1kx7 n ALA 10 Cb 1.03 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.55 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 1.61 0.22 -0.12 0.00 5.66 -1.14 -3.74 114.28 116.77 1kx7 n THR 12 Ca 0.00 -0.44 -0.16 0.00 -3.05 0.00 0.00 64.05 60.39 1kx7 n THR 12 Cb 0.36 1.11 -0.12 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.11 1.41 -0.02 1.08 0.31 -1.25 -4.50 118.33 115.24 1kx7 n VAL 13 Ca 0.00 -0.58 -0.06 0.00 -0.01 0.00 0.00 64.34 63.69 1kx7 n VAL 13 Cb 0.17 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.49 0.00 -0.20 0.00 3.86 -1.77 0.36 115.15 116.92 1kx7 h HIS 15 Ca -0.04 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1kx7 h HIS 15 Cb 0.59 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 1kx7 h HIS 15 CO -0.19 0.38 -0.13 0.77 0.86 0.00 0.00 177.93 179.63 1kx7 h SER 16 N 0.00 -0.42 0.00 2.45 0.02 -1.79 0.17 113.55 113.98 1kx7 h SER 16 Ca -0.00 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1kx7 h SER 16 Cb 0.97 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1kx7 h SER 16 CO 0.05 -0.17 -1.48 0.80 -1.14 0.00 0.00 176.83 174.89 1kx7 n MET 17 N -5.29 1.04 -0.46 3.45 0.00 -1.23 -4.37 117.12 110.26 1kx7 n MET 17 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.62 1kx7 n MET 17 Cb 0.20 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.20 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 2.13 0.91 3.85 -5.12 0.00 0.10 -4.91 105.19 102.15 1kx7 n GLY 18 Ca -0.06 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.31 4.60 -1.94 1.61 1.01 0.25 -4.51 120.40 119.12 1kx7 s VAL 19 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1kx7 s VAL 19 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1kx7 s VAL 19 CO 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 175.10 174.77 1kx7 n ALA 20 N -1.17 -0.40 -1.00 5.51 0.00 -1.26 -0.67 120.51 121.52 1kx7 n ALA 20 Ca -0.08 0.27 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 1kx7 n ALA 20 Cb 0.57 -1.98 -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 -0.55 0.43 3.76 0.00 0.00 -1.26 -4.99 105.19 102.58 1kx7 n GLY 21 Ca -0.21 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.86 2.66 0.76 4.61 0.00 0.16 -5.02 121.76 123.05 1kx7 s ALA 22 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1kx7 s ALA 22 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1kx7 s ALA 22 CO 0.00 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 174.65 1kx7 s PRO 23 N -3.25 2.44 0.32 0.00 0.04 -1.26 -4.27 135.00 129.03 1kx7 s PRO 23 Ca 0.74 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 1kx7 s PRO 23 Cb -0.28 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1kx7 s PRO 23 CO 0.31 -1.37 1.17 0.15 0.04 0.00 0.00 177.00 177.30 1kx7 s LYS 24 N -5.19 4.42 0.32 4.56 1.02 -1.26 -4.40 119.74 119.20 1kx7 s LYS 24 Ca 0.60 1.93 0.22 0.00 0.02 0.00 0.00 55.97 58.73 1kx7 s LYS 24 Cb -0.13 -3.03 1.12 0.00 -0.52 0.00 0.00 37.83 35.27 1kx7 s LYS 24 CO 0.54 -0.03 1.23 0.45 -0.92 0.00 0.00 175.35 176.62 1kx7 n SER 25 N 0.80 0.21 -3.67 2.83 2.88 0.61 -3.60 113.62 113.68 1kx7 n SER 25 Ca 0.01 1.18 -0.21 0.00 -1.33 0.00 0.00 58.87 58.52 1kx7 n SER 25 Cb 0.44 -0.58 -0.18 0.00 -0.75 0.00 0.00 64.21 63.15 1kx7 n SER 25 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1kx7 s HIS 26 N -5.03 0.14 0.09 0.66 0.00 -1.26 -4.71 115.29 105.18 1kx7 s HIS 26 Ca -0.06 0.13 0.00 0.00 -3.00 0.00 0.00 55.06 52.13 1kx7 s HIS 26 Cb 0.25 -0.54 -0.04 0.00 -4.00 0.00 0.00 32.58 28.25 1kx7 s HIS 26 CO 0.63 -0.25 -0.03 -0.80 -1.00 0.00 0.00 174.74 173.29 1kx7 s ASN 27 N 2.15 0.74 -0.15 7.38 0.01 -1.24 -5.07 114.94 118.76 1kx7 s ASN 27 Ca 0.04 -1.05 0.09 0.00 -0.71 0.00 0.00 52.86 51.23 1kx7 s ASN 27 Cb -0.13 0.17 -0.15 0.00 0.41 0.00 0.00 41.25 41.56 1kx7 s ASN 27 CO -0.04 -0.57 -0.02 1.07 -1.51 0.00 0.00 177.10 176.03 1kx7 n THR 28 N -0.00 0.96 0.01 1.60 5.66 -1.26 -4.35 114.28 116.90 1kx7 n THR 28 Ca -0.11 -0.52 -0.10 0.00 -3.05 0.00 0.00 64.05 60.27 1kx7 n THR 28 Cb 0.62 -0.79 0.04 0.00 -1.55 0.00 0.00 70.33 68.65 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 0.45 0.66 0.00 1.79 0.00 -1.99 0.28 119.26 120.44 1kx7 h ALA 29 Ca -0.38 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 1kx7 h ALA 29 Cb 1.76 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1kx7 h ALA 29 CO -0.01 0.70 -0.24 -0.44 0.00 0.00 0.00 179.25 179.27 1kx7 h ASP 30 N 0.39 0.00 0.20 0.00 5.19 -1.99 -3.31 116.42 116.90 1kx7 h ASP 30 Ca -0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1kx7 h ASP 30 Cb 1.16 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 1kx7 h ASP 30 CO 0.11 0.19 -2.07 0.79 -3.12 0.00 0.00 179.24 175.14 1kx7 n TRP 31 N -3.13 0.71 -0.25 4.55 7.02 -1.15 -4.49 117.44 120.71 1kx7 n TRP 31 Ca 0.03 0.20 -0.08 0.00 -1.02 0.00 0.00 57.50 56.63 1kx7 n TRP 31 Cb 0.61 -1.11 -0.07 0.00 -2.42 0.00 0.00 31.31 28.32 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 -0.06 0.00 -0.99 4.39 -0.53 0.26 114.58 117.67 1kx7 h GLU 32 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1kx7 h GLU 32 Cb 2.05 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1kx7 h GLU 32 CO 0.04 -0.04 0.00 -0.35 -1.16 0.00 0.00 179.01 177.50 1kx7 n PRO 33 N -4.57 0.66 -0.09 2.33 -0.04 -1.26 -2.54 135.00 129.49 1kx7 n PRO 33 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.31 1kx7 n PRO 33 Cb 0.19 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.73 0.43 0.00 0.54 3.00 -0.05 -4.51 116.66 115.34 1kx7 n ARG 34 Ca 0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 58.05 1kx7 n ARG 34 Cb 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.21 1kx7 n ARG 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1kx7 n LEU 35 N -3.36 0.14 0.06 0.55 0.00 0.72 -2.93 117.00 112.18 1kx7 n LEU 35 Ca -0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 56.01 55.57 1kx7 n LEU 35 Cb 0.81 -0.07 -0.07 0.00 0.00 0.00 0.00 43.42 44.08 1kx7 n LEU 35 CO 0.11 0.03 0.03 0.00 0.00 0.00 0.00 177.39 177.56 1kx7 h ALA 36 N 2.09 0.58 0.00 1.96 0.00 -1.75 -3.37 119.26 118.77 1kx7 h ALA 36 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 54.91 53.96 1kx7 h ALA 36 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1kx7 h ALA 36 CO 0.00 1.06 -0.82 1.63 0.00 0.00 0.00 179.25 181.12 1kx7 n LYS 37 N -3.16 0.49 0.00 0.00 4.01 -1.15 -5.12 118.16 113.23 1kx7 n LYS 37 Ca -0.04 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 1kx7 n LYS 37 Cb 0.88 -1.69 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 1kx7 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1kx7 n GLY 38 N 1.54 0.03 3.60 0.72 0.00 -1.25 -5.09 105.19 104.73 1kx7 n GLY 38 Ca -0.16 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1kx7 n GLY 38 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kx7 s VAL 39 N 0.00 0.86 0.00 1.61 -7.23 -1.26 -4.50 120.40 109.87 1kx7 s VAL 39 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1kx7 s VAL 39 Cb 0.00 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1kx7 s VAL 39 CO 0.00 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.12 1kx7 n ASP 40 N -1.26 0.00 -0.15 4.85 -0.08 -1.26 -4.71 116.55 113.94 1kx7 n ASP 40 Ca -0.10 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.15 1kx7 n ASP 40 Cb 0.66 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.17 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1kx7 h ASN 41 N 0.00 -0.20 0.25 1.67 2.35 -1.92 0.63 115.58 118.36 1kx7 h ASN 41 Ca 0.00 0.11 -0.34 0.00 -0.55 0.00 0.00 56.30 55.52 1kx7 h ASN 41 Cb 0.00 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1kx7 h ASN 41 CO 0.00 -0.06 -1.84 -0.07 -1.65 0.00 0.00 177.43 173.81 1kx7 h LEU 42 N 0.11 0.38 -2.06 1.61 3.38 -1.84 -3.20 115.31 113.68 1kx7 h LEU 42 Ca 0.23 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.52 1kx7 h LEU 42 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1kx7 h LEU 42 CO -0.39 1.64 0.12 1.62 0.09 0.00 0.00 178.44 181.53 1kx7 h VAL 43 N 0.07 0.84 0.20 1.22 3.04 -1.74 0.34 116.25 120.22 1kx7 h VAL 43 Ca -0.36 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1kx7 h VAL 43 Cb 2.04 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1kx7 h VAL 43 CO 0.11 0.00 -0.10 0.11 -1.01 0.00 0.00 177.57 176.69 1kx7 h LYS 44 N 0.00 -0.26 -0.37 4.17 1.57 -0.91 -2.28 116.57 118.48 1kx7 h LYS 44 Ca 0.08 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1kx7 h LYS 44 Cb 0.32 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1kx7 h LYS 44 CO -0.00 -0.03 0.25 1.03 -0.57 0.00 0.00 179.45 180.12 1kx7 h SER 45 N -0.47 0.35 -0.82 0.86 0.87 -1.21 0.85 113.55 113.98 1kx7 h SER 45 Ca -0.03 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1kx7 h SER 45 Cb 0.36 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1kx7 h SER 45 CO 0.05 0.25 0.52 1.62 -0.53 0.00 0.00 176.83 178.74 1kx7 h VAL 46 N 0.41 1.12 0.00 2.23 3.04 -0.89 0.10 116.25 122.27 1kx7 h VAL 46 Ca 0.15 -0.35 -0.12 0.00 -1.01 0.00 0.00 66.70 65.36 1kx7 h VAL 46 Cb 0.08 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.36 1kx7 h VAL 46 CO -0.03 0.18 -0.71 0.07 -1.01 0.00 0.00 177.57 176.08 1kx7 h LYS 47 N 1.01 0.00 -0.04 4.17 2.10 -0.38 -0.26 116.57 123.17 1kx7 h LYS 47 Ca 0.33 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.81 1kx7 h LYS 47 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1kx7 h LYS 47 CO -0.12 0.50 -0.71 1.15 -2.00 0.00 0.00 179.45 178.27 1kx7 h THR 48 N 0.00 1.42 -0.30 0.07 2.02 -0.57 0.11 112.91 115.66 1kx7 h THR 48 Ca -0.03 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1kx7 h THR 48 Cb 1.45 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1kx7 h THR 48 CO 0.07 0.65 0.00 0.61 0.37 0.00 0.00 175.52 177.22 1kx7 n GLY 49 N 0.51 -1.12 0.00 2.16 0.00 0.33 -4.49 105.19 102.57 1kx7 n GLY 49 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.11 0.00 -4.76 0.99 -0.00 -1.15 -4.85 117.00 107.12 1kx7 n LEU 50 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1kx7 n LEU 50 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1kx7 n LEU 50 CO 0.00 0.00 0.97 0.20 -0.00 0.00 0.00 177.39 178.56 1kx7 s ASN 51 N 1.00 6.84 -1.61 1.96 -0.87 -1.26 -2.50 114.94 118.50 1kx7 s ASN 51 Ca 0.00 2.59 0.00 0.00 -1.57 0.00 0.00 52.86 53.88 1kx7 s ASN 51 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1kx7 s ASN 51 CO 0.00 -0.51 0.00 0.00 -2.57 0.00 0.00 177.10 174.02 1kx7 n ALA 52 N 1.33 -0.23 -3.73 0.60 0.00 -1.26 -4.93 120.51 112.29 1kx7 n ALA 52 Ca 0.02 0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 1kx7 n ALA 52 Cb 0.42 -1.67 -0.17 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.24 0.40 0.41 0.00 0.00 -1.04 -5.12 119.30 110.72 1kx7 s MET 53 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 55.69 55.60 1kx7 s MET 53 Cb 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 34.83 33.96 1kx7 s MET 53 CO 0.00 -0.28 1.22 -1.25 0.00 0.00 0.00 175.02 174.71 1kx7 s PRO 54 N 1.86 3.96 -0.15 4.11 0.04 -1.26 -2.92 135.00 140.64 1kx7 s PRO 54 Ca 0.02 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1kx7 s PRO 54 Cb -0.12 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 1kx7 s PRO 54 CO -0.04 -0.44 2.02 -1.25 0.04 0.00 0.00 177.00 177.33 1kx7 s PRO 55 N -2.34 3.56 0.00 0.56 0.04 -1.26 -1.81 135.00 133.75 1kx7 s PRO 55 Ca 0.58 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1kx7 s PRO 55 Cb -0.33 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1kx7 s PRO 55 CO 0.42 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1kx7 n GLY 56 N 5.19 1.29 3.14 0.56 0.00 0.39 -4.62 105.19 111.13 1kx7 n GLY 56 Ca 0.25 0.00 -0.21 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 -1.47 -0.49 2.40 -0.02 0.00 -0.13 -0.51 105.19 104.97 1kx7 n GLY 57 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.60 -1.13 -4.40 1.61 1.56 -1.25 -4.81 117.12 105.10 1kx7 n MET 58 Ca -0.05 0.96 -0.24 0.00 -0.27 0.00 0.00 57.70 58.09 1kx7 n MET 58 Cb 0.57 -5.18 -0.11 0.00 2.15 0.00 0.00 33.22 30.64 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 h THR 60 N 3.06 0.00 -2.20 0.00 2.02 -1.95 -3.44 112.91 110.40 1kx7 h THR 60 Ca -0.44 -0.36 -0.58 0.00 0.77 0.00 0.00 66.41 65.81 1kx7 h THR 60 Cb 1.22 0.00 -0.41 0.00 -1.74 0.00 0.00 68.15 67.21 1kx7 h THR 60 CO 0.51 0.00 -0.74 -0.67 0.37 0.00 0.00 175.52 174.99 1kx7 n ASP 61 N -3.09 3.41 -4.65 4.18 -0.08 -1.26 -5.06 116.55 110.01 1kx7 n ASP 61 Ca -0.02 -3.44 -0.43 0.00 -1.51 0.00 0.00 54.79 49.39 1kx7 n ASP 61 Cb 0.08 -0.61 -0.03 0.00 2.34 0.00 0.00 41.12 42.91 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 3.22 4.05 0.20 0.00 2.01 -1.26 -4.89 115.64 118.97 1kx7 s THR 63 Ca 0.42 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1kx7 s THR 63 Cb -0.14 -2.73 0.26 0.00 0.01 0.00 0.00 72.50 69.90 1kx7 s THR 63 CO 0.09 0.55 0.97 0.47 -0.69 0.00 0.00 174.62 176.01 1kx7 n ASP 64 N 2.79 -0.05 -0.16 3.53 9.92 -1.26 -0.69 116.55 130.62 1kx7 n ASP 64 Ca -0.18 1.05 -0.04 0.00 -0.53 0.00 0.00 54.79 55.09 1kx7 n ASP 64 Cb 0.53 -0.39 -0.04 0.00 -0.64 0.00 0.00 41.12 40.58 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1kx7 n GLU 65 N -4.77 -0.17 -0.04 -1.24 -0.58 -1.26 -0.30 120.64 112.29 1kx7 n GLU 65 Ca 0.15 0.61 -0.17 0.00 -0.42 0.00 0.00 57.16 57.33 1kx7 n GLU 65 Cb 0.50 -0.90 -0.14 0.00 -0.57 0.00 0.00 31.44 30.33 1kx7 n GLU 65 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1kx7 n ASP 66 N -4.34 1.66 -0.34 1.62 8.00 0.13 -4.00 116.55 119.28 1kx7 n ASP 66 Ca 0.01 0.16 0.15 0.00 0.71 0.00 0.00 54.79 55.82 1kx7 n ASP 66 Cb 0.10 -0.45 0.37 0.00 -0.02 0.00 0.00 41.12 41.12 1kx7 n ASP 66 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1kx7 h TYR 67 N 0.04 0.97 0.01 1.24 5.03 -0.40 -0.71 116.97 123.15 1kx7 h TYR 67 Ca -0.44 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 60.90 1kx7 h TYR 67 Cb 2.02 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 40.01 1kx7 h TYR 67 CO 0.05 0.18 -0.01 1.57 -1.32 0.00 0.00 178.16 178.63 1kx7 h LYS 68 N 0.66 -0.02 -0.92 1.82 2.10 -0.87 -3.27 116.57 116.07 1kx7 h LYS 68 Ca 0.58 0.00 0.26 0.00 -2.00 0.00 0.00 60.65 59.49 1kx7 h LYS 68 Cb 1.04 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.33 1kx7 h LYS 68 CO -0.36 0.72 0.65 0.00 -2.00 0.00 0.00 179.45 178.45 1kx7 h ALA 69 N 0.14 2.77 -0.42 0.07 0.00 -1.37 0.34 119.26 120.79 1kx7 h ALA 69 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1kx7 h ALA 69 Cb 0.74 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1kx7 h ALA 69 CO 0.00 -1.04 0.18 0.00 0.00 0.00 0.00 179.25 178.39 1kx7 h ALA 70 N 1.55 0.54 -0.15 0.00 0.00 -1.23 0.24 119.26 120.22 1kx7 h ALA 70 Ca 0.45 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 1kx7 h ALA 70 Cb 1.68 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1kx7 h ALA 70 CO -0.04 0.14 -0.66 0.82 0.00 0.00 0.00 179.25 179.51 1kx7 h ILE 71 N 0.54 1.30 -0.29 0.00 2.04 -0.61 -3.19 117.51 117.29 1kx7 h ILE 71 Ca 0.14 -1.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.06 1kx7 h ILE 71 Cb 0.18 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1kx7 h ILE 71 CO -0.01 0.59 -0.02 -0.33 0.00 0.00 0.00 178.15 178.38 1kx7 h GLU 72 N 0.42 0.45 -0.71 2.37 5.08 -0.44 -1.33 114.58 120.41 1kx7 h GLU 72 Ca -0.04 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1kx7 h GLU 72 Cb 1.29 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1kx7 h GLU 72 CO 0.14 0.49 0.48 0.35 -1.00 0.00 0.00 179.01 179.47 1kx7 h PHE 73 N 0.43 0.51 0.00 4.33 3.04 -0.50 -3.33 116.94 121.42 1kx7 h PHE 73 Ca 0.09 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1kx7 h PHE 73 Cb 0.32 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1kx7 h PHE 73 CO 0.01 0.21 0.00 -1.33 -2.02 0.00 0.00 178.31 175.18 1kx7 n MET 74 N -4.48 0.00 -1.72 1.11 2.81 -0.70 -4.94 117.12 109.20 1kx7 n MET 74 Ca 0.13 0.26 -0.04 0.00 -1.81 0.00 0.00 57.70 56.23 1kx7 n MET 74 Cb 0.46 -0.72 0.01 0.00 -0.71 0.00 0.00 33.22 32.27 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 -1.83 -0.99 -4.15 7.83 2.88 -0.77 -4.89 113.62 111.70 1kx7 n SER 75 Ca 0.00 -2.08 -0.32 0.00 -1.33 0.00 0.00 58.87 55.13 1kx7 n SER 75 Cb 0.00 0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.59 -1.42 0.00 -1.46 2.85 -0.59 -4.72 118.16 112.24 1kx7 n LYS 76 Ca -0.21 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1kx7 n LYS 76 Cb 0.79 -3.66 0.00 0.00 -0.65 0.00 0.00 35.03 31.52 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 -4.61 0.10 1.15 0.58 0.00 -1.26 -4.63 120.51 111.84 1kx7 n ALA 77 Ca -0.27 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.29 1kx7 n ALA 77 Cb 0.67 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.35 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86