#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 -1.52 -0.04 0.00 -1.08 -1.26 -5.04 116.67 107.73 1kx7 s ASP -2 Ca 0.00 0.06 0.19 0.00 -0.52 0.00 0.00 52.55 52.27 1kx7 s ASP -2 Cb 0.00 1.96 0.33 0.00 -1.46 0.00 0.00 42.92 43.75 1kx7 s ASP -2 CO 0.00 -0.26 1.14 0.00 0.52 0.00 0.00 175.17 176.56 1kx7 n LEU -1 N 5.26 0.45 -0.00 -1.34 -0.00 -1.26 -4.70 117.00 115.40 1kx7 n LEU -1 Ca 0.06 -2.16 0.08 0.00 -0.00 0.00 0.00 56.01 53.99 1kx7 n LEU -1 Cb 0.55 0.05 -0.14 0.00 -0.00 0.00 0.00 43.42 43.88 1kx7 n LEU -1 CO -0.06 0.86 -0.65 1.67 -0.00 0.00 0.00 177.39 179.20 1kx7 n GLN 1 N 0.17 0.65 -3.71 1.47 0.00 -1.26 -4.83 117.38 109.88 1kx7 n GLN 1 Ca -0.04 -0.09 -0.15 0.00 -0.00 0.00 0.00 57.00 56.72 1kx7 n GLN 1 Cb 0.99 -1.59 -0.15 0.00 0.00 0.00 0.00 30.24 29.49 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 -4.87 0.27 0.33 1.69 -1.08 -1.26 -5.04 116.67 106.71 1kx7 s ASP 2 Ca -0.07 0.35 0.10 0.00 -0.52 0.00 0.00 52.55 52.41 1kx7 s ASP 2 Cb 0.12 0.27 0.88 0.00 -1.46 0.00 0.00 42.92 42.73 1kx7 s ASP 2 CO 0.87 -0.20 1.75 0.00 0.52 0.00 0.00 175.17 178.12 1kx7 h ALA 3 N 7.77 1.84 -0.50 3.66 0.00 -1.88 0.13 119.26 130.29 1kx7 h ALA 3 Ca -0.29 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1kx7 h ALA 3 Cb 1.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1kx7 h ALA 3 CO 0.29 -0.27 0.33 1.49 0.00 0.00 0.00 179.25 181.09 1kx7 h GLU 4 N 0.60 0.66 -0.22 0.00 4.81 -1.93 -1.81 114.58 116.68 1kx7 h GLU 4 Ca 0.61 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.70 1kx7 h GLU 4 Cb 1.17 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1kx7 h GLU 4 CO -0.41 0.43 -0.28 0.00 -0.73 0.00 0.00 179.01 178.02 1kx7 h ALA 5 N 1.18 1.10 0.22 2.92 0.00 -1.27 0.18 119.26 123.60 1kx7 h ALA 5 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1kx7 h ALA 5 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1kx7 h ALA 5 CO -0.04 0.56 -0.11 0.82 0.00 0.00 0.00 179.25 180.48 1kx7 h ILE 6 N 0.38 0.85 -0.39 0.00 2.04 -0.67 0.12 117.51 119.85 1kx7 h ILE 6 Ca 0.05 -0.43 -0.16 0.00 1.00 0.00 0.00 64.86 65.32 1kx7 h ILE 6 Cb 0.70 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1kx7 h ILE 6 CO 0.05 0.10 -0.37 0.10 0.00 0.00 0.00 178.15 178.03 1kx7 h TYR 7 N -0.51 1.12 0.00 1.37 -0.00 -1.12 0.41 116.97 118.23 1kx7 h TYR 7 Ca -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 58.73 58.35 1kx7 h TYR 7 Cb 0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.87 1kx7 h TYR 7 CO -0.00 1.16 -0.11 -0.97 -0.00 0.00 0.00 178.16 178.24 1kx7 h ASN 8 N 0.77 0.00 0.36 0.10 -1.24 -0.58 0.12 115.58 115.11 1kx7 h ASN 8 Ca 0.06 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.80 1kx7 h ASN 8 Cb 0.97 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.97 1kx7 h ASN 8 CO 0.09 0.11 -1.87 1.17 -1.29 0.00 0.00 177.43 175.64 1kx7 n LYS 9 N -3.33 0.65 -0.01 6.67 3.00 0.43 -4.71 118.16 120.85 1kx7 n LYS 9 Ca -0.00 0.17 -0.01 0.00 -0.00 0.00 0.00 58.31 58.46 1kx7 n LYS 9 Cb 0.31 -1.70 -0.00 0.00 0.00 0.00 0.00 35.03 33.64 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 -2.57 1.47 -0.63 3.14 0.00 0.12 -4.70 120.51 117.33 1kx7 n ALA 10 Ca -0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1kx7 n ALA 10 Cb 1.02 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 20.43 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 2.09 0.00 -0.06 0.00 5.66 -1.16 -3.89 114.28 116.91 1kx7 n THR 12 Ca 0.18 -0.17 -0.10 0.00 -3.05 0.00 0.00 64.05 60.92 1kx7 n THR 12 Cb 0.60 0.67 -0.15 0.00 -1.55 0.00 0.00 70.33 69.90 1kx7 n THR 12 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1kx7 n VAL 13 N -0.89 1.51 -0.02 1.08 0.24 -1.26 -4.28 118.33 114.72 1kx7 n VAL 13 Ca 0.00 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.34 61.45 1kx7 n VAL 13 Cb 0.00 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 31.58 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kx7 h HIS 15 N -0.37 0.00 0.06 0.00 3.86 -1.77 0.45 115.15 117.38 1kx7 h HIS 15 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1kx7 h HIS 15 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1kx7 h HIS 15 CO -0.16 0.00 -0.03 1.03 0.86 0.00 0.00 177.93 179.63 1kx7 h SER 16 N 0.00 -0.07 0.00 2.45 0.87 -1.74 0.14 113.55 115.19 1kx7 h SER 16 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1kx7 h SER 16 Cb 0.72 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1kx7 h SER 16 CO 0.00 0.04 -0.94 0.23 -0.53 0.00 0.00 176.83 175.63 1kx7 n MET 17 N -5.08 2.08 -2.12 2.24 2.81 -1.19 -4.64 117.12 111.21 1kx7 n MET 17 Ca -0.08 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1kx7 n MET 17 Cb 0.10 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.49 0.67 3.92 3.03 0.00 0.14 -5.03 105.19 109.42 1kx7 n GLY 18 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.93 5.00 -1.82 1.61 1.01 0.07 -4.10 120.40 119.24 1kx7 s VAL 19 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1kx7 s VAL 19 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1kx7 s VAL 19 CO 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 175.10 174.39 1kx7 n ALA 20 N -2.02 -0.26 -0.62 5.51 0.00 -1.26 -0.86 120.51 120.99 1kx7 n ALA 20 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1kx7 n ALA 20 Cb 0.56 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.23 0.72 3.77 0.00 0.00 -1.26 -4.95 105.19 103.24 1kx7 n GLY 21 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.32 2.85 0.89 4.61 0.00 -0.04 -5.03 121.76 122.72 1kx7 s ALA 22 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1kx7 s ALA 22 Cb 0.00 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.87 1kx7 s ALA 22 CO 0.00 -0.72 1.09 -1.25 0.00 0.00 0.00 175.76 174.88 1kx7 s PRO 23 N -2.94 1.26 0.20 0.00 0.04 -1.26 -4.39 135.00 127.91 1kx7 s PRO 23 Ca 0.68 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 1kx7 s PRO 23 Cb -0.27 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1kx7 s PRO 23 CO 0.32 -2.27 0.76 0.15 0.04 0.00 0.00 177.00 175.99 1kx7 s LYS 24 N -4.88 4.39 0.57 4.56 1.02 -1.26 -4.39 119.74 119.75 1kx7 s LYS 24 Ca 0.64 1.01 0.35 0.00 0.02 0.00 0.00 55.97 57.99 1kx7 s LYS 24 Cb -0.19 -3.02 1.44 0.00 -0.52 0.00 0.00 37.83 35.54 1kx7 s LYS 24 CO 0.57 0.46 1.67 1.03 -0.92 0.00 0.00 175.35 178.17 1kx7 h SER 25 N 3.77 0.00 -3.36 2.83 0.87 -1.22 -3.31 113.55 113.12 1kx7 h SER 25 Ca -0.48 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.67 1kx7 h SER 25 Cb 1.20 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.80 1kx7 h SER 25 CO 0.65 0.00 -0.77 -1.38 -0.53 0.00 0.00 176.83 174.81 1kx7 s HIS 26 N -4.75 0.66 0.10 2.24 -3.43 -1.26 -4.70 115.29 104.14 1kx7 s HIS 26 Ca -0.04 -0.17 -0.19 0.00 -0.80 0.00 0.00 55.06 53.86 1kx7 s HIS 26 Cb 0.20 -0.70 0.04 0.00 -1.43 0.00 0.00 32.58 30.69 1kx7 s HIS 26 CO 0.69 -0.25 0.46 -0.80 -2.00 0.00 0.00 174.74 172.84 1kx7 s ASN 27 N 1.43 -0.33 -0.14 7.38 0.01 -1.25 -5.09 114.94 116.96 1kx7 s ASN 27 Ca -0.03 -0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.06 1kx7 s ASN 27 Cb -0.13 0.49 -0.12 0.00 0.41 0.00 0.00 41.25 41.90 1kx7 s ASN 27 CO -0.03 -0.80 -0.07 0.41 -1.51 0.00 0.00 177.10 175.10 1kx7 n THR 28 N 0.03 0.84 0.09 1.60 -1.04 -1.26 -4.38 114.28 110.17 1kx7 n THR 28 Ca -0.17 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.05 61.41 1kx7 n THR 28 Cb 0.62 -0.91 -0.00 0.00 -1.82 0.00 0.00 70.33 68.22 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 0.21 0.59 0.00 2.41 0.00 -1.99 0.97 119.26 121.45 1kx7 h ALA 29 Ca -0.33 -0.75 -0.21 0.00 0.00 0.00 0.00 54.91 53.61 1kx7 h ALA 29 Cb 1.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1kx7 h ALA 29 CO -0.03 1.03 -0.92 0.22 0.00 0.00 0.00 179.25 179.56 1kx7 h ASP 30 N 0.00 0.42 0.53 0.00 1.82 -1.99 -3.30 116.42 113.90 1kx7 h ASP 30 Ca -0.01 -0.34 -0.29 0.00 -0.39 0.00 0.00 57.03 56.00 1kx7 h ASP 30 Cb 1.50 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 41.36 1kx7 h ASP 30 CO 0.11 1.14 -1.49 -0.50 -1.61 0.00 0.00 179.24 176.89 1kx7 h TRP 31 N 0.18 0.31 -0.79 0.28 4.06 -1.74 -3.40 115.95 114.86 1kx7 h TRP 31 Ca -0.07 -0.23 0.07 0.00 2.06 0.00 0.00 58.89 60.73 1kx7 h TRP 31 Cb 1.55 -0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 29.60 1kx7 h TRP 31 CO 0.05 1.27 -0.46 0.39 -3.56 0.00 0.00 178.44 176.13 1kx7 n GLU 32 N -3.37 -0.35 0.22 0.49 1.02 0.33 -0.75 120.64 118.22 1kx7 n GLU 32 Ca -0.14 1.35 0.15 0.00 -0.02 0.00 0.00 57.16 58.50 1kx7 n GLU 32 Cb 1.03 -1.99 0.76 0.00 -0.02 0.00 0.00 31.44 31.21 1kx7 n GLU 32 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1kx7 h PRO 33 N 0.00 0.00 0.00 3.49 0.13 -1.76 -1.96 132.00 131.90 1kx7 h PRO 33 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 1kx7 h PRO 33 Cb 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1kx7 h PRO 33 CO -0.74 0.00 -0.86 0.00 -0.23 0.00 0.00 178.00 176.17 1kx7 h ARG 34 N 0.00 0.00 0.00 0.86 2.47 -1.16 -3.21 114.38 113.34 1kx7 h ARG 34 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1kx7 h ARG 34 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1kx7 h ARG 34 CO 0.00 0.83 0.03 1.25 0.56 0.00 0.00 179.97 182.64 1kx7 h LEU 35 N -1.00 0.00 0.09 3.04 6.46 -0.78 -1.96 115.31 121.16 1kx7 h LEU 35 Ca -0.22 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.18 1kx7 h LEU 35 Cb 1.09 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 1kx7 h LEU 35 CO -0.13 0.00 -2.06 0.00 -0.62 0.00 0.00 178.44 175.63 1kx7 n ALA 36 N -1.92 1.06 0.10 1.25 0.00 -0.76 -3.94 120.51 116.30 1kx7 n ALA 36 Ca -0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 1kx7 n ALA 36 Cb 0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 1kx7 n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kx7 h LYS 37 N 0.05 -0.20 0.00 0.00 1.79 -1.50 -3.50 116.57 113.21 1kx7 h LYS 37 Ca -0.44 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1kx7 h LYS 37 Cb 2.02 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.71 1kx7 h LYS 37 CO 0.06 -0.04 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 1kx7 n GLY 38 N -0.87 -0.53 1.71 3.86 0.00 -0.76 -5.03 105.19 103.57 1kx7 n GLY 38 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.30 0.48 1.61 0.31 -1.26 -3.94 118.33 115.83 1kx7 n VAL 39 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1kx7 n VAL 39 Cb 0.00 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 -3.33 0.40 -0.04 4.52 9.92 -1.26 -1.73 116.55 125.03 1kx7 n ASP 40 Ca 0.00 -0.89 -0.02 0.00 -0.53 0.00 0.00 54.79 53.36 1kx7 n ASP 40 Cb 0.03 -0.20 -0.14 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.21 0.23 -0.10 -2.24 3.02 -1.26 -4.16 115.26 110.96 1kx7 n ASN 41 Ca 0.00 0.10 -0.24 0.00 -0.03 0.00 0.00 54.58 54.41 1kx7 n ASN 41 Cb 0.10 1.05 -0.11 0.00 -0.61 0.00 0.00 39.78 40.21 1kx7 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kx7 n LEU 42 N -2.65 2.13 -0.20 3.41 7.99 -0.71 -3.60 117.00 123.37 1kx7 n LEU 42 Ca -0.19 0.30 0.22 0.00 -0.01 0.00 0.00 56.01 56.33 1kx7 n LEU 42 Cb 0.92 -0.93 0.60 0.00 -0.11 0.00 0.00 43.42 43.89 1kx7 n LEU 42 CO 0.44 0.54 1.23 1.62 -1.51 0.00 0.00 177.39 179.71 1kx7 h VAL 43 N -0.74 0.64 -0.22 4.08 3.04 -1.81 0.30 116.25 121.54 1kx7 h VAL 43 Ca -0.51 -0.08 -0.17 0.00 -1.01 0.00 0.00 66.70 64.92 1kx7 h VAL 43 Cb 1.58 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1kx7 h VAL 43 CO -0.23 0.04 -0.56 0.07 -1.01 0.00 0.00 177.57 175.88 1kx7 h LYS 44 N 0.24 0.67 -0.00 4.17 2.10 -1.72 -1.94 116.57 120.08 1kx7 h LYS 44 Ca 0.44 -0.43 -0.23 0.00 -2.00 0.00 0.00 60.65 58.43 1kx7 h LYS 44 Cb 1.33 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1kx7 h LYS 44 CO -0.11 1.05 -0.95 1.03 -2.00 0.00 0.00 179.45 178.48 1kx7 h SER 45 N 0.51 0.56 -0.11 7.07 0.87 -0.64 0.95 113.55 122.76 1kx7 h SER 45 Ca 0.01 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1kx7 h SER 45 Cb 1.13 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1kx7 h SER 45 CO 0.11 1.24 0.01 1.62 -0.53 0.00 0.00 176.83 179.28 1kx7 h VAL 46 N 0.24 1.24 -0.21 2.23 3.04 -0.79 0.53 116.25 122.53 1kx7 h VAL 46 Ca -0.08 -0.77 -0.11 0.00 -1.01 0.00 0.00 66.70 64.73 1kx7 h VAL 46 Cb 1.58 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 1kx7 h VAL 46 CO 0.17 0.22 -0.34 0.07 -1.01 0.00 0.00 177.57 176.68 1kx7 h LYS 47 N -0.07 0.45 -0.02 4.17 5.09 -1.21 -1.16 116.57 123.83 1kx7 h LYS 47 Ca 0.03 -0.20 -0.18 0.00 0.09 0.00 0.00 60.65 60.39 1kx7 h LYS 47 Cb 0.34 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 1kx7 h LYS 47 CO 0.00 0.74 -0.80 0.00 -2.09 0.00 0.00 179.45 177.30 1kx7 h THR 48 N 0.39 1.47 -1.12 0.07 1.03 -0.86 -0.28 112.91 113.61 1kx7 h THR 48 Ca 0.05 -2.45 0.00 0.00 -0.01 0.00 0.00 66.41 63.99 1kx7 h THR 48 Cb 0.78 2.34 0.00 0.00 -1.07 0.00 0.00 68.15 70.20 1kx7 h THR 48 CO 0.06 0.72 0.00 0.61 -0.01 0.00 0.00 175.52 176.90 1kx7 n GLY 49 N 0.70 -1.53 2.14 2.99 0.00 0.16 -4.31 105.19 105.35 1kx7 n GLY 49 Ca -0.03 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 0.17 0.99 7.94 -1.13 -4.85 117.00 120.12 1kx7 n LEU 50 Ca 0.00 -0.80 -0.10 0.00 -1.11 0.00 0.00 56.01 54.00 1kx7 n LEU 50 Cb 0.00 -0.57 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 1kx7 n LEU 50 CO 0.00 -1.12 0.51 0.78 -1.11 0.00 0.00 177.39 176.45 1kx7 h ASN 51 N -1.12 -0.78 0.00 1.96 2.35 -1.99 0.11 115.58 116.10 1kx7 h ASN 51 Ca -0.24 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1kx7 h ASN 51 Cb 0.67 0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1kx7 h ASN 51 CO 0.17 -0.38 0.00 0.00 -1.65 0.00 0.00 177.43 175.57 1kx7 n ALA 52 N -2.57 2.51 -2.79 -0.83 0.00 -1.26 -4.89 120.51 110.68 1kx7 n ALA 52 Ca -0.07 -0.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 1kx7 n ALA 52 Cb 0.26 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.00 3.31 0.34 0.00 -1.94 0.38 -5.10 119.30 114.29 1kx7 s MET 53 Ca 0.09 -0.26 -0.28 0.00 -1.71 0.00 0.00 55.69 53.52 1kx7 s MET 53 Cb 0.04 -3.03 -0.10 0.00 2.01 0.00 0.00 34.83 33.75 1kx7 s MET 53 CO 0.07 0.69 1.29 -1.25 -0.01 0.00 0.00 175.02 175.81 1kx7 s PRO 54 N -0.82 4.32 -0.49 2.03 0.04 -1.26 -4.12 135.00 134.70 1kx7 s PRO 54 Ca 0.13 2.17 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 1kx7 s PRO 54 Cb -0.12 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1kx7 s PRO 54 CO 0.03 -0.20 2.09 -1.25 0.04 0.00 0.00 177.00 177.71 1kx7 s PRO 55 N -1.84 2.58 0.00 0.56 0.04 -1.26 -0.98 135.00 134.10 1kx7 s PRO 55 Ca 0.50 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1kx7 s PRO 55 Cb -0.39 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1kx7 s PRO 55 CO 0.51 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1kx7 n GLY 56 N 5.78 1.32 3.07 0.56 0.00 -0.12 -4.58 105.19 111.21 1kx7 n GLY 56 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.96 -0.51 3.55 -0.02 0.00 -0.15 -1.13 105.19 105.96 1kx7 n GLY 57 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.83 0.00 -3.69 1.61 1.56 -1.25 -4.75 117.12 106.77 1kx7 n MET 58 Ca -0.09 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 56.96 1kx7 n MET 58 Cb 0.60 -2.55 -0.12 0.00 2.15 0.00 0.00 33.22 33.30 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 5.79 0.99 -3.34 0.00 1.35 -1.92 -3.38 112.91 112.39 1kx7 h THR 60 Ca -0.30 -1.18 -0.79 0.00 -0.55 0.00 0.00 66.41 63.58 1kx7 h THR 60 Cb 1.13 1.65 -0.29 0.00 -1.73 0.00 0.00 68.15 68.91 1kx7 h THR 60 CO 0.62 0.25 0.48 0.47 -0.25 0.00 0.00 175.52 177.09 1kx7 n ASP 61 N -4.90 5.62 -4.16 5.36 8.00 -1.26 -4.99 116.55 120.22 1kx7 n ASP 61 Ca -0.08 -3.16 -0.28 0.00 0.71 0.00 0.00 54.79 51.98 1kx7 n ASP 61 Cb 0.27 -1.31 -0.16 0.00 -0.02 0.00 0.00 41.12 39.90 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kx7 s THR 63 N 0.23 3.75 0.27 0.00 -4.23 -1.26 -4.86 115.64 109.54 1kx7 s THR 63 Ca -0.10 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.96 1kx7 s THR 63 Cb -0.15 -3.53 0.26 0.00 1.34 0.00 0.00 72.50 70.43 1kx7 s THR 63 CO 0.05 -0.74 1.85 0.44 -0.54 0.00 0.00 174.62 175.67 1kx7 h ASP 64 N -0.62 0.94 -0.15 3.99 5.19 -2.01 0.18 116.42 123.93 1kx7 h ASP 64 Ca -0.45 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.04 1kx7 h ASP 64 Cb 1.24 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.54 1kx7 h ASP 64 CO 0.63 0.55 -0.15 -0.33 -3.12 0.00 0.00 179.24 176.81 1kx7 h GLU 65 N 1.04 -0.17 -0.14 3.56 5.08 -1.98 0.22 114.58 122.19 1kx7 h GLU 65 Ca 0.45 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.64 1kx7 h GLU 65 Cb 0.32 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1kx7 h GLU 65 CO -0.22 -0.11 -0.67 -0.44 -1.00 0.00 0.00 179.01 176.57 1kx7 h ASP 66 N -0.18 0.64 0.21 1.42 3.32 -1.83 0.26 116.42 120.26 1kx7 h ASP 66 Ca 0.10 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1kx7 h ASP 66 Cb 0.33 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1kx7 h ASP 66 CO -0.26 1.13 -0.10 1.88 -1.72 0.00 0.00 179.24 180.17 1kx7 h TYR 67 N 0.40 -0.26 -0.25 4.55 0.05 -0.48 -0.61 116.97 120.36 1kx7 h TYR 67 Ca -0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1kx7 h TYR 67 Cb 1.25 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 1kx7 h TYR 67 CO 0.05 -0.11 0.10 0.87 -1.05 0.00 0.00 178.16 178.02 1kx7 h LYS 68 N -0.34 0.37 -0.96 4.88 1.57 -0.49 0.13 116.57 121.73 1kx7 h LYS 68 Ca -0.03 -0.07 0.20 0.00 -1.87 0.00 0.00 60.65 58.88 1kx7 h LYS 68 Cb 0.26 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.40 1kx7 h LYS 68 CO 0.05 0.42 0.54 0.00 -0.57 0.00 0.00 179.45 179.89 1kx7 h ALA 69 N 0.94 1.59 -0.27 3.86 0.00 -0.95 0.24 119.26 124.67 1kx7 h ALA 69 Ca 0.08 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1kx7 h ALA 69 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1kx7 h ALA 69 CO -0.01 -0.15 -0.57 0.00 0.00 0.00 0.00 179.25 178.52 1kx7 h ALA 70 N 1.66 0.46 0.40 0.00 0.00 0.36 0.80 119.26 122.94 1kx7 h ALA 70 Ca 0.57 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1kx7 h ALA 70 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1kx7 h ALA 70 CO -0.42 0.68 -0.19 0.82 0.00 0.00 0.00 179.25 180.13 1kx7 h ILE 71 N 0.66 0.55 0.00 0.00 5.03 -0.35 -3.29 117.51 120.10 1kx7 h ILE 71 Ca 0.01 -0.45 -0.02 0.00 -0.12 0.00 0.00 64.86 64.28 1kx7 h ILE 71 Cb 1.18 0.75 -0.00 0.00 -3.03 0.00 0.00 36.82 35.72 1kx7 h ILE 71 CO 0.13 0.08 -0.11 1.05 -0.68 0.00 0.00 178.15 178.62 1kx7 h GLU 72 N -0.82 0.00 -0.85 2.37 -0.00 -0.56 -2.45 114.58 112.27 1kx7 h GLU 72 Ca -0.06 0.00 0.20 0.00 -0.00 0.00 0.00 59.36 59.50 1kx7 h GLU 72 Cb 0.54 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.14 1kx7 h GLU 72 CO 0.09 0.11 -0.06 0.35 -0.00 0.00 0.00 179.01 179.50 1kx7 h PHE 73 N 0.00 -0.18 0.00 2.06 3.04 -0.90 -2.36 116.94 118.60 1kx7 h PHE 73 Ca -0.00 0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1kx7 h PHE 73 Cb 0.43 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1kx7 h PHE 73 CO 0.00 -0.33 -0.00 0.52 -2.02 0.00 0.00 178.31 176.48 1kx7 h MET 74 N 0.05 -0.00 0.00 1.11 2.86 -1.60 -3.48 114.93 113.87 1kx7 h MET 74 Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1kx7 h MET 74 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1kx7 h MET 74 CO -0.80 0.60 0.00 0.43 1.06 0.00 0.00 176.91 178.20 1kx7 n SER 75 N -4.80 0.00 0.00 1.22 7.64 -0.89 -4.88 113.62 111.91 1kx7 n SER 75 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1kx7 n SER 75 Cb 0.30 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1kx7 n SER 75 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1kx7 n LYS 76 N -1.69 0.00 0.00 1.43 2.85 -1.25 -4.78 118.16 114.71 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 1.50 0.58 0.00 -1.26 -4.73 120.51 116.61 1kx7 n ALA 77 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1kx7 n ALA 77 Cb 0.00 0.00 0.53 0.00 0.00 0.00 0.00 19.45 19.98 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86