#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 -0.86 -0.83 0.00 2.15 -1.26 -5.09 116.67 110.77 1kx7 s ASP -2 Ca 0.00 1.32 0.01 0.00 0.43 0.00 0.00 52.55 54.31 1kx7 s ASP -2 Cb 0.00 1.53 0.26 0.00 -0.30 0.00 0.00 42.92 44.41 1kx7 s ASP -2 CO 0.00 -0.20 0.97 -0.11 -0.17 0.00 0.00 175.17 175.66 1kx7 n LEU -1 N 4.43 4.64 -0.05 -1.34 7.94 -1.26 -4.73 117.00 126.63 1kx7 n LEU -1 Ca -0.17 -5.30 -0.00 0.00 -1.11 0.00 0.00 56.01 49.42 1kx7 n LEU -1 Cb 0.56 -0.95 -0.14 0.00 0.53 0.00 0.00 43.42 43.42 1kx7 n LEU -1 CO -0.02 1.83 -0.90 0.00 -1.11 0.00 0.00 177.39 177.19 1kx7 n GLN 1 N 1.36 0.89 -3.47 1.96 6.02 -1.26 -4.94 117.38 117.94 1kx7 n GLN 1 Ca 0.27 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.00 57.06 1kx7 n GLN 1 Cb 0.37 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1kx7 s ASP 2 N -4.67 0.43 0.19 1.08 -1.08 -1.26 -5.04 116.67 106.32 1kx7 s ASP 2 Ca -0.08 0.30 0.01 0.00 -0.52 0.00 0.00 52.55 52.26 1kx7 s ASP 2 Cb 0.08 0.93 0.46 0.00 -1.46 0.00 0.00 42.92 42.94 1kx7 s ASP 2 CO 0.74 -0.29 0.95 0.00 0.52 0.00 0.00 175.17 177.10 1kx7 n ALA 3 N 5.36 0.31 -0.04 3.66 0.00 -1.26 0.06 120.51 128.59 1kx7 n ALA 3 Ca -0.05 0.65 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1kx7 n ALA 3 Cb 0.50 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 0.18 -0.21 0.00 4.81 -1.92 -0.28 114.58 117.15 1kx7 h GLU 4 Ca 0.37 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1kx7 h GLU 4 Cb 0.75 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1kx7 h GLU 4 CO -0.57 0.12 -0.28 0.00 -0.73 0.00 0.00 179.01 177.54 1kx7 h ALA 5 N 1.12 1.13 0.07 2.92 0.00 -0.78 0.13 119.26 123.84 1kx7 h ALA 5 Ca 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1kx7 h ALA 5 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kx7 h ALA 5 CO -0.08 0.55 -0.03 0.82 0.00 0.00 0.00 179.25 180.51 1kx7 h ILE 6 N 0.36 1.11 -0.49 0.00 1.08 -0.45 0.22 117.51 119.34 1kx7 h ILE 6 Ca 0.05 -0.65 -0.12 0.00 -0.39 0.00 0.00 64.86 63.75 1kx7 h ILE 6 Cb 0.68 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 1kx7 h ILE 6 CO 0.05 0.16 -0.17 0.10 -0.69 0.00 0.00 178.15 177.61 1kx7 h TYR 7 N -0.39 1.12 0.00 1.37 -0.00 -0.78 0.29 116.97 118.58 1kx7 h TYR 7 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 58.73 58.43 1kx7 h TYR 7 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 36.73 36.80 1kx7 h TYR 7 CO 0.02 1.07 -0.15 -0.97 -0.00 0.00 0.00 178.16 178.13 1kx7 h ASN 8 N 0.84 0.00 0.32 0.10 -1.24 -0.71 0.14 115.58 115.04 1kx7 h ASN 8 Ca 0.12 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.87 1kx7 h ASN 8 Cb 0.74 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.74 1kx7 h ASN 8 CO 0.06 0.15 -1.90 1.17 -1.29 0.00 0.00 177.43 175.62 1kx7 n LYS 9 N -3.40 0.65 -0.00 6.67 0.00 0.76 -4.72 118.16 118.13 1kx7 n LYS 9 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 58.31 58.41 1kx7 n LYS 9 Cb 0.34 -1.67 -0.00 0.00 0.00 0.00 0.00 35.03 33.69 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 -2.55 2.04 -0.62 3.14 0.00 0.10 -4.73 120.51 117.89 1kx7 n ALA 10 Ca -0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.01 1kx7 n ALA 10 Cb 0.99 0.07 -0.08 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 2.16 0.00 -0.11 0.00 5.66 -1.16 -4.01 114.28 116.82 1kx7 n THR 12 Ca 0.19 -0.13 -0.21 0.00 -3.05 0.00 0.00 64.05 60.85 1kx7 n THR 12 Cb 0.59 0.62 -0.12 0.00 -1.55 0.00 0.00 70.33 69.87 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 -0.68 1.55 -0.03 1.08 0.24 -1.25 -4.22 118.33 115.02 1kx7 n VAL 13 Ca 0.00 -0.51 -0.01 0.00 -2.04 0.00 0.00 64.34 61.78 1kx7 n VAL 13 Cb 0.00 -1.62 -0.00 0.00 -1.47 0.00 0.00 33.84 30.75 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 -0.57 0.00 -0.26 0.00 3.86 -1.83 0.30 115.15 116.66 1kx7 h HIS 15 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1kx7 h HIS 15 Cb 0.16 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1kx7 h HIS 15 CO -0.07 0.41 0.00 1.03 0.86 0.00 0.00 177.93 180.16 1kx7 h SER 16 N 0.00 -0.10 -0.00 2.45 0.87 -1.73 -0.64 113.55 114.40 1kx7 h SER 16 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1kx7 h SER 16 Cb 0.99 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1kx7 h SER 16 CO 0.05 -0.02 -0.33 0.23 -0.53 0.00 0.00 176.83 176.24 1kx7 n MET 17 N -5.15 4.17 -2.05 2.24 2.81 -1.21 -4.52 117.12 113.41 1kx7 n MET 17 Ca -0.01 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1kx7 n MET 17 Cb 0.13 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 1.12 0.82 3.92 3.03 0.00 0.79 -5.00 105.19 109.87 1kx7 n GLY 18 Ca 0.02 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.83 4.64 -1.61 1.61 1.01 0.35 -4.06 120.40 119.50 1kx7 s VAL 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1kx7 s VAL 19 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1kx7 s VAL 19 CO 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 175.10 174.41 1kx7 n ALA 20 N -2.22 -0.23 -0.77 5.51 0.00 -1.26 -0.97 120.51 120.57 1kx7 n ALA 20 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1kx7 n ALA 20 Cb 0.56 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.12 0.60 3.78 0.00 0.00 -1.26 -4.96 105.19 103.23 1kx7 n GLY 21 Ca -0.15 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 2.66 0.23 4.61 0.00 -0.14 -5.00 121.76 122.12 1kx7 s ALA 22 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1kx7 s ALA 22 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1kx7 s ALA 22 CO 0.00 -0.86 1.04 -1.25 0.00 0.00 0.00 175.76 174.70 1kx7 s PRO 23 N -3.62 4.70 0.06 0.00 0.04 -1.26 -4.46 135.00 130.45 1kx7 s PRO 23 Ca 0.69 1.66 -0.35 0.00 0.04 0.00 0.00 61.00 63.04 1kx7 s PRO 23 Cb -0.21 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 30.93 1kx7 s PRO 23 CO 0.31 0.26 1.58 1.17 0.04 0.00 0.00 177.00 180.37 1kx7 n LYS 24 N 1.73 1.78 0.00 4.56 4.81 -1.26 -4.68 118.16 125.10 1kx7 n LYS 24 Ca -0.00 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1kx7 n LYS 24 Cb 0.46 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.13 1kx7 n LYS 24 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1kx7 n SER 25 N 3.90 0.00 -3.52 3.14 3.41 -0.25 -3.69 113.62 116.62 1kx7 n SER 25 Ca 0.19 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.62 1kx7 n SER 25 Cb 0.25 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.00 -0.23 0.38 7.33 -3.43 -1.26 -4.90 115.29 113.17 1kx7 s HIS 26 Ca 0.00 0.22 0.03 0.00 -0.80 0.00 0.00 55.06 54.51 1kx7 s HIS 26 Cb 0.00 -0.38 -0.01 0.00 -1.43 0.00 0.00 32.58 30.76 1kx7 s HIS 26 CO 0.00 -0.57 0.10 0.27 -2.00 0.00 0.00 174.74 172.54 1kx7 n ASN 27 N 5.32 1.61 -0.10 7.38 0.23 -1.24 -5.09 115.26 123.36 1kx7 n ASN 27 Ca -0.06 -2.92 -0.12 0.00 -0.53 0.00 0.00 54.58 50.96 1kx7 n ASN 27 Cb 0.49 0.79 -0.15 0.00 -2.08 0.00 0.00 39.78 38.83 1kx7 n ASN 27 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1kx7 n THR 28 N -0.87 1.43 0.21 5.53 5.66 -1.26 -4.37 114.28 120.62 1kx7 n THR 28 Ca -0.08 -0.78 -0.15 0.00 -3.05 0.00 0.00 64.05 59.99 1kx7 n THR 28 Cb 0.54 -0.76 -0.08 0.00 -1.55 0.00 0.00 70.33 68.48 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 0.72 -0.47 0.00 1.79 0.00 -2.00 0.51 119.26 119.82 1kx7 h ALA 29 Ca -0.54 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1kx7 h ALA 29 Cb 2.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 1kx7 h ALA 29 CO 0.00 -0.75 -0.18 0.22 0.00 0.00 0.00 179.25 178.54 1kx7 h ASP 30 N -0.49 0.00 1.05 0.00 3.58 -1.97 -3.19 116.42 115.41 1kx7 h ASP 30 Ca -0.05 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.21 1kx7 h ASP 30 Cb 0.37 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1kx7 h ASP 30 CO 0.08 0.18 -0.91 -0.50 -2.88 0.00 0.00 179.24 175.21 1kx7 h TRP 31 N 0.00 0.00 -0.24 0.28 4.06 -1.66 -3.40 115.95 114.99 1kx7 h TRP 31 Ca -0.00 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.98 1kx7 h TRP 31 Cb 1.13 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.22 1kx7 h TRP 31 CO 0.00 0.91 -0.48 0.93 -3.56 0.00 0.00 178.44 176.25 1kx7 h GLU 32 N 0.00 -0.40 0.00 0.49 5.08 0.03 0.70 114.58 120.48 1kx7 h GLU 32 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1kx7 h GLU 32 Cb 1.68 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1kx7 h GLU 32 CO 0.12 -0.27 0.00 -1.00 -1.00 0.00 0.00 179.01 176.86 1kx7 h PRO 33 N -0.42 0.00 0.08 2.33 0.13 -1.77 -1.35 132.00 131.00 1kx7 h PRO 33 Ca 0.05 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.01 1kx7 h PRO 33 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1kx7 h PRO 33 CO -0.45 0.00 -0.82 0.00 -0.23 0.00 0.00 178.00 176.50 1kx7 h ARG 34 N 0.00 0.17 0.00 0.86 2.47 -1.33 -3.12 114.38 113.43 1kx7 h ARG 34 Ca 0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1kx7 h ARG 34 Cb 0.12 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1kx7 h ARG 34 CO 0.00 1.14 0.00 1.25 0.56 0.00 0.00 179.97 182.92 1kx7 h LEU 35 N -0.60 0.00 0.07 3.04 6.46 -0.35 -0.09 115.31 123.84 1kx7 h LEU 35 Ca -0.18 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.31 1kx7 h LEU 35 Cb 1.47 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.38 1kx7 h LEU 35 CO 0.04 0.00 -1.36 0.00 -0.62 0.00 0.00 178.44 176.51 1kx7 h ALA 36 N 2.03 0.34 0.04 1.25 0.00 -1.31 -3.34 119.26 118.27 1kx7 h ALA 36 Ca 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 54.91 53.84 1kx7 h ALA 36 Cb 0.14 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1kx7 h ALA 36 CO 0.00 1.21 -0.02 0.87 0.00 0.00 0.00 179.25 181.31 1kx7 h LYS 37 N 0.04 -0.06 0.00 0.00 1.57 -1.25 -3.51 116.57 113.36 1kx7 h LYS 37 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1kx7 h LYS 37 Cb 1.94 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1kx7 h LYS 37 CO 0.15 0.58 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 1kx7 n GLY 38 N 0.91 -0.71 2.08 3.86 0.00 -0.13 -5.00 105.19 106.19 1kx7 n GLY 38 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.03 1.61 0.31 -1.26 -4.27 118.33 114.75 1kx7 n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kx7 n VAL 39 Cb 0.00 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 -3.34 3.77 -0.04 4.52 9.92 -1.26 -3.03 116.55 127.10 1kx7 n ASP 40 Ca 0.00 -2.00 -0.09 0.00 -0.53 0.00 0.00 54.79 52.18 1kx7 n ASP 40 Cb 0.00 -0.76 -0.03 0.00 -0.64 0.00 0.00 41.12 39.69 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 1.23 1.06 0.09 -2.24 3.02 -1.26 -4.48 115.26 112.67 1kx7 n ASN 41 Ca 0.00 0.17 -0.13 0.00 -0.03 0.00 0.00 54.58 54.59 1kx7 n ASN 41 Cb 0.42 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.40 0.32 -0.29 3.41 -0.00 -1.77 -2.77 115.31 113.82 1kx7 h LEU 42 Ca -0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1kx7 h LEU 42 Cb 0.90 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1kx7 h LEU 42 CO -0.10 1.25 0.00 0.55 -0.00 0.00 0.00 178.44 180.13 1kx7 n VAL 43 N -3.51 1.44 0.02 1.22 3.14 -1.23 -0.39 118.33 119.02 1kx7 n VAL 43 Ca -0.06 0.43 -0.18 0.00 -2.96 0.00 0.00 64.34 61.57 1kx7 n VAL 43 Cb 0.98 -1.35 -0.13 0.00 -1.06 0.00 0.00 33.84 32.28 1kx7 n VAL 43 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1kx7 h LYS 44 N 0.00 0.28 -0.63 1.45 1.79 -1.71 -3.32 116.57 114.43 1kx7 h LYS 44 Ca 0.00 -0.42 -0.06 0.00 -2.18 0.00 0.00 60.65 58.00 1kx7 h LYS 44 Cb 0.11 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1kx7 h LYS 44 CO 0.00 1.16 0.17 0.77 -1.08 0.00 0.00 179.45 180.47 1kx7 h SER 45 N -0.39 0.91 -0.97 0.86 0.02 -0.69 -1.94 113.55 111.35 1kx7 h SER 45 Ca -0.10 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1kx7 h SER 45 Cb 1.46 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.69 1kx7 h SER 45 CO 0.12 0.87 0.63 1.62 -1.14 0.00 0.00 176.83 178.93 1kx7 h VAL 46 N 0.94 1.03 0.00 2.27 3.04 -1.05 -0.07 116.25 122.41 1kx7 h VAL 46 Ca 0.20 -0.37 -0.18 0.00 -1.01 0.00 0.00 66.70 65.35 1kx7 h VAL 46 Cb 0.30 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.42 1kx7 h VAL 46 CO -0.00 0.20 -0.84 0.07 -1.01 0.00 0.00 177.57 175.98 1kx7 h LYS 47 N 1.07 0.00 -0.04 4.17 2.10 -1.53 -0.12 116.57 122.22 1kx7 h LYS 47 Ca 0.44 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.93 1kx7 h LYS 47 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 1kx7 h LYS 47 CO -0.19 0.84 -0.67 1.15 -2.00 0.00 0.00 179.45 178.58 1kx7 h THR 48 N 0.00 1.43 -1.19 0.07 2.02 -0.60 0.68 112.91 115.32 1kx7 h THR 48 Ca -0.01 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1kx7 h THR 48 Cb 1.52 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1kx7 h THR 48 CO 0.11 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.25 1kx7 n GLY 49 N 0.42 -1.58 0.00 2.16 0.00 -0.11 -4.46 105.19 101.62 1kx7 n GLY 49 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1kx7 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kx7 n LEU 50 N 0.00 0.00 0.03 0.99 7.99 -1.23 -4.84 117.00 119.93 1kx7 n LEU 50 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 1kx7 n LEU 50 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1kx7 n LEU 50 CO 0.00 -0.44 0.15 0.78 -1.51 0.00 0.00 177.39 176.37 1kx7 h ASN 51 N -0.27 -0.09 -0.10 -1.43 2.35 -1.99 -3.32 115.58 110.73 1kx7 h ASN 51 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1kx7 h ASN 51 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1kx7 h ASN 51 CO 0.00 0.03 -0.13 0.00 -1.65 0.00 0.00 177.43 175.68 1kx7 h ALA 52 N -1.77 1.30 -2.46 -0.83 0.00 -1.96 -3.45 119.26 110.08 1kx7 h ALA 52 Ca -0.01 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 54.10 1kx7 h ALA 52 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1kx7 h ALA 52 CO 0.02 0.47 0.63 1.41 0.00 0.00 0.00 179.25 181.78 1kx7 s MET 53 N -4.72 4.39 0.43 0.00 0.00 -1.25 -5.02 119.30 113.13 1kx7 s MET 53 Ca -0.07 1.83 -0.25 0.00 0.00 0.00 0.00 55.69 57.21 1kx7 s MET 53 Cb 0.15 -3.38 -0.08 0.00 0.00 0.00 0.00 34.83 31.52 1kx7 s MET 53 CO 0.77 -0.34 1.25 -1.25 0.00 0.00 0.00 175.02 175.44 1kx7 s PRO 54 N 1.34 3.85 0.13 4.11 0.04 -1.26 -3.56 135.00 139.64 1kx7 s PRO 54 Ca 0.60 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 1kx7 s PRO 54 Cb -0.30 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1kx7 s PRO 54 CO 0.28 -0.54 1.77 -1.25 0.04 0.00 0.00 177.00 177.30 1kx7 s PRO 55 N -2.43 4.15 0.00 0.56 0.04 -1.26 -2.73 135.00 133.33 1kx7 s PRO 55 Ca 0.60 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.19 1kx7 s PRO 55 Cb -0.34 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1kx7 s PRO 55 CO 0.43 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1kx7 n GLY 56 N 4.12 1.14 3.42 0.56 0.00 0.23 -4.28 105.19 110.39 1kx7 n GLY 56 Ca 0.17 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.60 -0.47 3.69 -0.02 0.00 -0.09 -0.38 105.19 106.32 1kx7 n GLY 57 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.48 0.00 -0.10 1.61 1.56 -1.25 -4.78 117.12 110.68 1kx7 n MET 58 Ca 0.02 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.32 1kx7 n MET 58 Cb 0.51 -3.18 -0.10 0.00 2.15 0.00 0.00 33.22 32.60 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 -3.03 0.00 -1.20 0.00 -1.04 0.26 -4.63 114.28 104.64 1kx7 n THR 60 Ca -0.34 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.36 1kx7 n THR 60 Cb 0.89 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.33 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 1.48 7.60 -4.34 8.00 8.00 -1.26 -4.88 116.55 131.15 1kx7 n ASP 61 Ca 0.00 -2.53 -0.34 0.00 0.71 0.00 0.00 54.79 52.62 1kx7 n ASP 61 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 39.46 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 1.14 5.17 0.22 0.00 -1.32 -1.26 -4.92 115.64 114.67 1kx7 s THR 63 Ca 0.02 0.80 0.10 0.00 -1.21 0.00 0.00 61.69 61.39 1kx7 s THR 63 Cb -0.14 -3.73 0.23 0.00 -1.51 0.00 0.00 72.50 67.34 1kx7 s THR 63 CO -0.01 0.43 0.98 0.47 -2.21 0.00 0.00 174.62 174.27 1kx7 n ASP 64 N 3.04 0.14 -0.34 8.08 9.92 -1.26 -0.67 116.55 135.46 1kx7 n ASP 64 Ca -0.11 1.03 -0.10 0.00 -0.53 0.00 0.00 54.79 55.09 1kx7 n ASP 64 Cb 0.52 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.44 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 -0.03 0.00 -1.24 5.08 -1.99 0.26 114.58 116.65 1kx7 h GLU 65 Ca 0.49 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.63 1kx7 h GLU 65 Cb 1.23 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1kx7 h GLU 65 CO -0.50 -0.02 -1.29 -0.44 -1.00 0.00 0.00 179.01 175.76 1kx7 h ASP 66 N -0.04 0.00 -0.71 1.42 5.19 -1.30 -3.05 116.42 117.93 1kx7 h ASP 66 Ca 0.13 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.61 1kx7 h ASP 66 Cb 0.37 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 1kx7 h ASP 66 CO -0.79 0.83 0.39 0.22 -3.12 0.00 0.00 179.24 176.77 1kx7 h TYR 67 N 0.00 0.71 -0.11 4.55 5.03 -0.70 0.93 116.97 127.38 1kx7 h TYR 67 Ca -0.15 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.09 1kx7 h TYR 67 Cb 1.76 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.83 1kx7 h TYR 67 CO 0.00 0.32 -0.33 1.57 -1.32 0.00 0.00 178.16 178.40 1kx7 h LYS 68 N 0.69 0.41 -1.00 1.82 2.10 -0.61 -3.00 116.57 116.99 1kx7 h LYS 68 Ca 0.33 -0.30 0.22 0.00 -2.00 0.00 0.00 60.65 58.90 1kx7 h LYS 68 Cb 0.25 0.05 -0.10 0.00 -0.90 0.00 0.00 32.23 31.53 1kx7 h LYS 68 CO -0.21 0.92 0.63 0.00 -2.00 0.00 0.00 179.45 178.79 1kx7 h ALA 69 N 0.49 1.95 -0.35 0.07 0.00 -1.32 0.20 119.26 120.30 1kx7 h ALA 69 Ca -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1kx7 h ALA 69 Cb 0.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1kx7 h ALA 69 CO 0.07 -0.34 -0.27 0.00 0.00 0.00 0.00 179.25 178.71 1kx7 h ALA 70 N 1.64 0.50 0.02 0.00 0.00 -0.70 0.78 119.26 121.49 1kx7 h ALA 70 Ca 0.58 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1kx7 h ALA 70 Cb 1.18 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.88 1kx7 h ALA 70 CO -0.34 0.51 -0.84 -0.84 0.00 0.00 0.00 179.25 177.75 1kx7 h ILE 71 N 0.58 1.36 0.00 0.00 3.07 -1.28 -3.26 117.51 117.99 1kx7 h ILE 71 Ca 0.06 -2.20 -0.02 0.00 1.55 0.00 0.00 64.86 64.25 1kx7 h ILE 71 Cb 0.84 2.55 -0.00 0.00 -0.27 0.00 0.00 36.82 39.94 1kx7 h ILE 71 CO 0.07 0.66 -0.12 1.05 -1.05 0.00 0.00 178.15 178.76 1kx7 h GLU 72 N 0.11 0.00 -0.80 0.16 4.11 -0.61 0.15 114.58 117.70 1kx7 h GLU 72 Ca -0.11 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.50 1kx7 h GLU 72 Cb 1.53 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.67 1kx7 h GLU 72 CO 0.16 0.12 0.28 0.35 0.07 0.00 0.00 179.01 179.99 1kx7 h PHE 73 N 0.00 0.45 0.00 2.06 3.04 -0.88 -3.18 116.94 118.44 1kx7 h PHE 73 Ca -0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1kx7 h PHE 73 Cb 0.32 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 1kx7 h PHE 73 CO 0.00 -0.04 -0.14 0.52 -2.02 0.00 0.00 178.31 176.63 1kx7 h MET 74 N 0.36 0.00 -0.34 1.11 2.86 -1.04 -3.49 114.93 114.39 1kx7 h MET 74 Ca 0.46 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 58.34 1kx7 h MET 74 Cb 0.80 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.18 1kx7 h MET 74 CO -0.49 0.27 0.52 0.45 1.06 0.00 0.00 176.91 178.72 1kx7 s SER 75 N -5.80 -0.13 -0.81 1.22 0.15 0.29 -4.85 113.70 103.77 1kx7 s SER 75 Ca -0.08 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.55 1kx7 s SER 75 Cb -0.00 1.14 -0.18 0.00 -1.71 0.00 0.00 66.02 65.27 1kx7 s SER 75 CO 0.21 -0.03 1.98 2.29 1.20 0.00 0.00 173.24 178.90 1kx7 n LYS 76 N 4.44 0.17 0.01 5.44 2.85 -1.26 -4.04 118.16 125.77 1kx7 n LYS 76 Ca -0.08 -1.05 0.00 0.00 -1.05 0.00 0.00 58.31 56.13 1kx7 n LYS 76 Cb 0.55 -3.10 0.00 0.00 -0.65 0.00 0.00 35.03 31.83 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 15.68 0.34 1.07 0.58 0.00 -1.26 -4.79 120.51 132.12 1kx7 n ALA 77 Ca 0.37 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.93 1kx7 n ALA 77 Cb 0.44 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.05 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86