#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 n ASP -2 N 0.00 -1.62 -3.12 0.00 2.03 -1.26 -5.01 116.55 107.58 1kx7 n ASP -2 Ca 0.00 -2.28 -0.20 0.00 0.52 0.00 0.00 54.79 52.83 1kx7 n ASP -2 Cb 0.00 0.83 -0.05 0.00 -0.72 0.00 0.00 41.12 41.18 1kx7 n ASP -2 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1kx7 n LEU -1 N -1.08 -1.02 -0.00 -2.67 0.00 -1.26 -4.73 117.00 106.24 1kx7 n LEU -1 Ca -0.11 -4.13 0.02 0.00 0.00 0.00 0.00 56.01 51.79 1kx7 n LEU -1 Cb 0.85 0.66 -0.04 0.00 0.00 0.00 0.00 43.42 44.90 1kx7 n LEU -1 CO -0.12 1.98 -0.57 1.67 0.00 0.00 0.00 177.39 180.35 1kx7 n GLN 1 N 2.06 0.40 -3.53 1.96 0.00 -1.26 -5.09 117.38 111.91 1kx7 n GLN 1 Ca 0.21 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.00 57.06 1kx7 n GLN 1 Cb 0.54 -1.12 -0.03 0.00 0.00 0.00 0.00 30.24 29.62 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 -2.66 -0.39 0.00 1.69 -1.08 -1.26 -5.08 116.67 107.89 1kx7 s ASP 2 Ca -0.02 -0.16 -0.18 0.00 -0.52 0.00 0.00 52.55 51.67 1kx7 s ASP 2 Cb 0.03 0.53 -0.33 0.00 -1.46 0.00 0.00 42.92 41.69 1kx7 s ASP 2 CO 0.21 -0.90 0.98 0.00 0.52 0.00 0.00 175.17 175.97 1kx7 h ALA 3 N 2.21 -0.11 -0.26 3.66 0.00 -1.90 -2.81 119.26 120.05 1kx7 h ALA 3 Ca -0.34 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 53.83 1kx7 h ALA 3 Cb 1.28 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1kx7 h ALA 3 CO 0.43 0.55 0.06 1.49 0.00 0.00 0.00 179.25 181.78 1kx7 h GLU 4 N -0.05 0.16 -0.22 0.00 4.81 -1.91 -1.55 114.58 115.82 1kx7 h GLU 4 Ca -0.20 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1kx7 h GLU 4 Cb 1.90 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 1kx7 h GLU 4 CO 0.22 0.11 -0.24 0.00 -0.73 0.00 0.00 179.01 178.36 1kx7 h ALA 5 N 1.19 1.18 0.17 2.92 0.00 -1.97 0.10 119.26 122.85 1kx7 h ALA 5 Ca 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1kx7 h ALA 5 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1kx7 h ALA 5 CO -0.15 0.53 -0.08 0.82 0.00 0.00 0.00 179.25 180.36 1kx7 h ILE 6 N 0.37 0.94 -0.39 0.00 2.04 -1.20 0.20 117.51 119.47 1kx7 h ILE 6 Ca 0.06 -0.53 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 1kx7 h ILE 6 Cb 0.63 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1kx7 h ILE 6 CO 0.04 0.12 -0.27 0.10 0.00 0.00 0.00 178.15 178.14 1kx7 h TYR 7 N -0.48 0.94 0.00 1.37 -0.00 -0.95 0.26 116.97 118.10 1kx7 h TYR 7 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 58.73 58.45 1kx7 h TYR 7 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 36.89 1kx7 h TYR 7 CO 0.01 0.99 -0.11 -0.97 -0.00 0.00 0.00 178.16 178.08 1kx7 h ASN 8 N 0.70 0.00 0.24 0.10 -1.24 -0.75 0.49 115.58 115.11 1kx7 h ASN 8 Ca 0.08 0.00 -0.28 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 39.81 1kx7 h ASN 8 CO 0.07 0.11 -2.03 1.17 -1.29 0.00 0.00 177.43 175.47 1kx7 n LYS 9 N -3.31 0.66 -0.01 6.67 3.00 0.69 -4.72 118.16 121.15 1kx7 n LYS 9 Ca -0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 58.31 58.38 1kx7 n LYS 9 Cb 0.33 -1.64 -0.01 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.60 1.67 -0.50 3.14 0.00 0.88 -4.68 120.51 118.43 1kx7 n ALA 10 Ca -0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 1kx7 n ALA 10 Cb 1.03 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 20.49 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 1.94 0.00 -0.08 0.00 5.66 -1.15 -4.29 114.28 116.36 1kx7 n THR 12 Ca 0.11 -0.27 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 1kx7 n THR 12 Cb 0.48 1.16 -0.12 0.00 -1.55 0.00 0.00 70.33 70.30 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 -0.36 1.60 -0.09 1.08 0.31 -1.25 -4.41 118.33 115.23 1kx7 n VAL 13 Ca 0.00 -0.45 -0.16 0.00 -0.01 0.00 0.00 64.34 63.72 1kx7 n VAL 13 Cb 0.04 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.18 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 n HIS 15 N -4.10 0.62 -0.03 0.00 -0.00 -1.26 0.22 115.22 110.67 1kx7 n HIS 15 Ca -0.28 0.22 -0.16 0.00 -0.00 0.00 0.00 57.72 57.50 1kx7 n HIS 15 Cb 0.62 -0.85 -0.08 0.00 -0.00 0.00 0.00 29.99 29.68 1kx7 n HIS 15 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1kx7 h SER 16 N 0.00 0.65 0.00 0.41 0.87 -1.77 -0.97 113.55 112.75 1kx7 h SER 16 Ca 0.00 -0.62 -0.15 0.00 -1.23 0.00 0.00 61.79 59.79 1kx7 h SER 16 Cb 0.46 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1kx7 h SER 16 CO 0.00 1.16 -1.57 0.80 -0.53 0.00 0.00 176.83 176.69 1kx7 n MET 17 N -4.22 0.87 -0.54 2.24 0.00 -1.20 -4.74 117.12 109.52 1kx7 n MET 17 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.67 1kx7 n MET 17 Cb 0.59 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.61 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 2.89 0.87 0.05 -5.12 0.00 0.13 -5.02 105.19 98.99 1kx7 n GLY 18 Ca -0.17 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 1kx7 n GLY 18 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kx7 h VAL 19 N 0.00 0.00 -0.12 1.61 2.07 -1.82 -3.33 116.25 114.65 1kx7 h VAL 19 Ca 0.00 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1kx7 h VAL 19 Cb 0.35 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1kx7 h VAL 19 CO 0.00 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.67 1kx7 n ALA 20 N -2.76 2.99 -0.96 1.67 0.00 -1.26 -4.71 120.51 115.48 1kx7 n ALA 20 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1kx7 n ALA 20 Cb 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.36 0.52 3.68 0.00 0.00 -1.25 -5.00 105.19 103.51 1kx7 n GLY 21 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 1.30 -1.77 4.61 0.00 -1.26 -4.94 120.51 119.45 1kx7 n ALA 22 Ca 0.00 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 1kx7 n ALA 22 Cb 0.07 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 -0.71 3.34 0.14 0.00 0.04 -1.26 -4.25 135.00 132.31 1kx7 s PRO 23 Ca 0.65 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1kx7 s PRO 23 Cb -0.62 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 1kx7 s PRO 23 CO 0.52 -0.86 1.07 0.21 0.04 0.00 0.00 177.00 177.98 1kx7 s LYS 24 N -3.26 4.60 0.35 4.56 2.36 -1.26 -4.47 119.74 122.62 1kx7 s LYS 24 Ca 0.73 1.65 0.17 0.00 -2.55 0.00 0.00 55.97 55.96 1kx7 s LYS 24 Cb -0.25 -3.32 1.21 0.00 -1.05 0.00 0.00 37.83 34.43 1kx7 s LYS 24 CO 0.28 0.06 1.55 -1.13 1.55 0.00 0.00 175.35 177.66 1kx7 n SER 25 N 2.75 0.25 -3.82 1.43 3.41 -0.37 -3.75 113.62 113.53 1kx7 n SER 25 Ca 0.04 1.64 -0.27 0.00 -0.26 0.00 0.00 58.87 60.02 1kx7 n SER 25 Cb 0.47 -0.76 -0.17 0.00 -0.26 0.00 0.00 64.21 63.50 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 -5.60 1.33 0.13 7.33 0.00 -1.26 -4.79 115.29 112.44 1kx7 s HIS 26 Ca -0.10 -0.90 -0.11 0.00 -3.00 0.00 0.00 55.06 50.95 1kx7 s HIS 26 Cb 0.33 -1.14 0.01 0.00 -4.00 0.00 0.00 32.58 27.77 1kx7 s HIS 26 CO 0.77 -0.58 0.30 -0.80 -1.00 0.00 0.00 174.74 173.43 1kx7 s ASN 27 N 1.76 -0.02 -0.15 7.38 0.01 -1.25 -5.09 114.94 117.58 1kx7 s ASN 27 Ca 0.00 -0.63 0.04 0.00 -0.71 0.00 0.00 52.86 51.56 1kx7 s ASN 27 Cb -0.16 0.42 -0.12 0.00 0.41 0.00 0.00 41.25 41.81 1kx7 s ASN 27 CO -0.07 -0.84 -0.09 0.41 -1.51 0.00 0.00 177.10 175.00 1kx7 n THR 28 N -0.18 0.91 0.14 1.60 -1.04 -1.26 -4.32 114.28 110.14 1kx7 n THR 28 Ca -0.12 -0.41 0.03 0.00 -2.04 0.00 0.00 64.05 61.50 1kx7 n THR 28 Cb 0.63 -0.95 0.02 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.18 0.68 0.08 2.41 0.00 -1.99 0.12 119.26 120.74 1kx7 h ALA 29 Ca -0.36 -0.46 -0.28 0.00 0.00 0.00 0.00 54.91 53.81 1kx7 h ALA 29 Cb 1.63 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.37 1kx7 h ALA 29 CO -0.03 0.62 -1.17 0.22 0.00 0.00 0.00 179.25 178.89 1kx7 h ASP 30 N 0.00 0.81 0.62 0.00 1.82 -1.98 -3.34 116.42 114.35 1kx7 h ASP 30 Ca -0.01 -0.72 -0.28 0.00 -0.39 0.00 0.00 57.03 55.63 1kx7 h ASP 30 Cb 1.39 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1kx7 h ASP 30 CO 0.06 1.53 -1.29 -0.50 -1.61 0.00 0.00 179.24 177.43 1kx7 h TRP 31 N 0.28 0.46 -0.87 0.28 4.06 -1.73 -3.38 115.95 115.05 1kx7 h TRP 31 Ca -0.16 -0.34 0.08 0.00 2.06 0.00 0.00 58.89 60.53 1kx7 h TRP 31 Cb 1.83 -0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 29.87 1kx7 h TRP 31 CO 0.10 1.28 -0.52 0.93 -3.56 0.00 0.00 178.44 176.67 1kx7 h GLU 32 N 0.07 -0.01 0.00 0.49 5.08 -0.87 0.56 114.58 119.89 1kx7 h GLU 32 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1kx7 h GLU 32 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1kx7 h GLU 32 CO 0.19 -0.01 0.00 -0.35 -1.00 0.00 0.00 179.01 177.85 1kx7 n PRO 33 N -5.01 0.22 -0.10 2.33 -0.04 -1.26 -2.12 135.00 129.02 1kx7 n PRO 33 Ca 0.02 0.14 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 1kx7 n PRO 33 Cb 0.23 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.23 0.60 0.00 0.54 5.12 -0.02 -4.23 116.66 117.44 1kx7 n ARG 34 Ca 0.07 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 1kx7 n ARG 34 Cb 0.09 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 -4.18 0.19 0.06 0.55 4.77 -0.03 -3.27 117.00 115.09 1kx7 n LEU 35 Ca -0.39 -0.10 0.03 0.00 -0.03 0.00 0.00 56.01 55.53 1kx7 n LEU 35 Cb 0.80 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 1kx7 n LEU 35 CO 0.19 0.05 -0.12 0.00 -1.33 0.00 0.00 177.39 176.18 1kx7 h ALA 36 N 1.38 0.62 0.00 -1.18 0.00 -1.69 -3.37 119.26 115.02 1kx7 h ALA 36 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 54.91 53.91 1kx7 h ALA 36 Cb 0.10 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1kx7 h ALA 36 CO 0.00 0.63 -2.46 1.63 0.00 0.00 0.00 179.25 179.05 1kx7 n LYS 37 N -2.87 0.56 0.00 0.00 4.01 -1.20 -5.13 118.16 113.53 1kx7 n LYS 37 Ca -0.06 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1kx7 n LYS 37 Cb 0.75 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.83 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 1.47 0.08 3.75 0.72 0.00 -1.25 -5.09 105.19 104.87 1kx7 n GLY 38 Ca -0.51 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 1.58 0.00 1.61 -7.23 -1.26 -4.44 120.40 110.66 1kx7 s VAL 39 Ca 0.00 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1kx7 s VAL 39 Cb 0.00 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1kx7 s VAL 39 CO 0.00 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.26 1kx7 n ASP 40 N -1.28 0.00 -0.38 4.85 8.00 -1.26 -4.67 116.55 121.80 1kx7 n ASP 40 Ca -0.11 0.00 0.30 0.00 0.71 0.00 0.00 54.79 55.69 1kx7 n ASP 40 Cb 0.66 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.33 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1kx7 h ASN 41 N 0.00 0.37 0.16 -2.24 2.35 -1.92 0.26 115.58 114.56 1kx7 h ASN 41 Ca 0.00 0.15 -0.23 0.00 -0.55 0.00 0.00 56.30 55.68 1kx7 h ASN 41 Cb 0.00 0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.51 1kx7 h ASN 41 CO 0.00 -0.14 -1.03 -0.07 -1.65 0.00 0.00 177.43 174.54 1kx7 h LEU 42 N 0.21 0.52 -1.83 1.61 -0.00 -1.83 -3.06 115.31 110.92 1kx7 h LEU 42 Ca 0.76 -0.93 0.01 0.00 -0.00 0.00 0.00 57.88 57.71 1kx7 h LEU 42 Cb 2.08 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 42.56 1kx7 h LEU 42 CO -0.48 1.49 0.13 1.62 -0.00 0.00 0.00 178.44 181.19 1kx7 h VAL 43 N -0.27 1.03 0.11 1.22 3.04 -0.86 0.73 116.25 121.24 1kx7 h VAL 43 Ca -0.19 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 1kx7 h VAL 43 Cb 1.76 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1kx7 h VAL 43 CO 0.16 0.04 -0.05 0.11 -1.01 0.00 0.00 177.57 176.82 1kx7 h LYS 44 N 0.23 -0.14 -0.50 4.17 1.79 -0.95 -0.69 116.57 120.48 1kx7 h LYS 44 Ca 0.07 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1kx7 h LYS 44 Cb 0.01 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1kx7 h LYS 44 CO -0.01 -0.06 0.20 0.77 -1.08 0.00 0.00 179.45 179.26 1kx7 h SER 45 N -0.17 0.65 0.45 0.86 0.02 -1.12 -1.74 113.55 112.49 1kx7 h SER 45 Ca -0.01 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1kx7 h SER 45 Cb 0.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1kx7 h SER 45 CO 0.02 0.59 -0.21 0.58 -1.14 0.00 0.00 176.83 176.67 1kx7 h VAL 46 N 0.71 0.56 -0.79 2.27 2.07 -0.75 0.13 116.25 120.45 1kx7 h VAL 46 Ca 0.17 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1kx7 h VAL 46 Cb 0.15 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1kx7 h VAL 46 CO -0.02 0.03 0.52 0.07 0.02 0.00 0.00 177.57 178.19 1kx7 h LYS 47 N -0.69 0.66 -0.20 1.57 2.10 -0.89 0.71 116.57 119.82 1kx7 h LYS 47 Ca -0.06 -0.04 -0.19 0.00 -2.00 0.00 0.00 60.65 58.36 1kx7 h LYS 47 Cb 0.51 -0.15 0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1kx7 h LYS 47 CO 0.10 0.43 -0.61 1.15 -2.00 0.00 0.00 179.45 178.53 1kx7 h THR 48 N 0.68 1.29 -1.11 0.07 2.02 -1.09 -1.17 112.91 113.60 1kx7 h THR 48 Ca 0.37 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1kx7 h THR 48 Cb 0.53 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1kx7 h THR 48 CO -0.14 0.58 0.00 0.61 0.37 0.00 0.00 175.52 176.93 1kx7 n GLY 49 N 0.54 -2.08 0.00 2.16 0.00 0.44 -4.30 105.19 101.95 1kx7 n GLY 49 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.16 0.99 7.94 -0.83 -4.80 117.00 120.46 1kx7 n LEU 50 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1kx7 n LEU 50 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1kx7 n LEU 50 CO 0.00 -0.46 0.24 0.78 -1.11 0.00 0.00 177.39 176.84 1kx7 h ASN 51 N -0.30 -0.38 1.17 1.96 2.35 -1.98 -3.23 115.58 115.16 1kx7 h ASN 51 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1kx7 h ASN 51 Cb 0.00 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1kx7 h ASN 51 CO 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 1kx7 n ALA 52 N -2.55 2.02 -2.80 -0.83 0.00 -1.26 -4.82 120.51 110.28 1kx7 n ALA 52 Ca -0.06 0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1kx7 n ALA 52 Cb 0.18 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.20 3.84 0.71 0.00 0.00 -1.22 -5.09 119.30 114.34 1kx7 s MET 53 Ca 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 55.69 55.24 1kx7 s MET 53 Cb 0.11 -3.49 0.03 0.00 0.00 0.00 0.00 34.83 31.47 1kx7 s MET 53 CO 0.51 -0.15 1.15 -1.25 0.00 0.00 0.00 175.02 175.29 1kx7 s PRO 54 N 1.59 2.40 0.19 4.11 0.04 -1.26 -1.96 135.00 140.12 1kx7 s PRO 54 Ca 0.07 1.53 -0.33 0.00 0.04 0.00 0.00 61.00 62.31 1kx7 s PRO 54 Cb -0.15 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1kx7 s PRO 54 CO 0.07 -1.59 1.66 -0.35 0.04 0.00 0.00 177.00 176.83 1kx7 n PRO 55 N -2.71 2.51 -2.25 0.56 -0.04 -1.26 -0.83 135.00 130.98 1kx7 n PRO 55 Ca 0.12 0.90 -0.14 0.00 -0.04 0.00 0.00 63.50 64.34 1kx7 n PRO 55 Cb 0.51 -2.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.25 1kx7 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kx7 n GLY 56 N 3.67 -0.19 2.40 0.55 0.00 0.19 -4.08 105.19 107.73 1kx7 n GLY 56 Ca 0.16 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.02 -0.42 2.88 -0.02 0.00 -0.01 0.12 105.19 106.73 1kx7 n GLY 57 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.58 -4.47 -3.38 1.61 1.56 -1.26 -4.56 117.12 104.05 1kx7 n MET 58 Ca -0.08 0.80 -0.26 0.00 -0.27 0.00 0.00 57.70 57.89 1kx7 n MET 58 Cb 0.54 -5.44 -0.08 0.00 2.15 0.00 0.00 33.22 30.39 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 0.95 0.00 -2.77 0.00 -2.24 -1.26 -1.12 114.28 107.84 1kx7 n THR 60 Ca 0.28 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.83 1kx7 n THR 60 Cb 0.43 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1kx7 n THR 60 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kx7 n ASP 61 N 0.00 3.62 -4.74 3.42 -0.08 -1.26 -4.96 116.55 112.55 1kx7 n ASP 61 Ca 0.00 -3.46 -0.41 0.00 -1.51 0.00 0.00 54.79 49.40 1kx7 n ASP 61 Cb 0.00 -0.53 -0.03 0.00 2.34 0.00 0.00 41.12 42.90 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 -0.02 5.48 0.41 0.00 -1.32 -1.26 -4.89 115.64 114.03 1kx7 s THR 63 Ca 0.56 0.22 0.29 0.00 -1.21 0.00 0.00 61.69 61.55 1kx7 s THR 63 Cb -0.36 -3.43 0.45 0.00 -1.51 0.00 0.00 72.50 67.65 1kx7 s THR 63 CO 0.39 0.60 1.52 0.47 -2.21 0.00 0.00 174.62 175.39 1kx7 n ASP 64 N 1.90 0.24 -0.34 8.08 8.00 -1.26 -0.55 116.55 132.62 1kx7 n ASP 64 Ca -0.19 1.42 -0.09 0.00 0.71 0.00 0.00 54.79 56.64 1kx7 n ASP 64 Cb 0.55 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1kx7 n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kx7 n GLU 65 N -4.80 -0.35 -0.04 -1.24 -0.58 -1.26 -0.40 120.64 111.97 1kx7 n GLU 65 Ca 0.39 1.24 -0.00 0.00 -0.42 0.00 0.00 57.16 58.36 1kx7 n GLU 65 Cb 1.45 -1.82 -0.14 0.00 -0.57 0.00 0.00 31.44 30.36 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 -5.03 0.21 0.25 1.62 8.00 0.28 -3.99 116.55 117.88 1kx7 n ASP 66 Ca 0.02 0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1kx7 n ASP 66 Cb 0.22 1.14 -0.08 0.00 -0.02 0.00 0.00 41.12 42.38 1kx7 n ASP 66 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1kx7 h TYR 67 N 0.00 -0.53 -0.84 1.24 0.05 -0.69 -1.44 116.97 114.76 1kx7 h TYR 67 Ca -0.26 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 1kx7 h TYR 67 Cb 1.65 0.17 -0.04 0.00 1.01 0.00 0.00 36.73 39.52 1kx7 h TYR 67 CO 0.00 -0.32 0.44 1.57 -1.05 0.00 0.00 178.16 178.80 1kx7 h LYS 68 N -0.58 1.18 -0.27 4.88 2.10 -0.93 0.30 116.57 123.25 1kx7 h LYS 68 Ca -0.06 -0.15 0.06 0.00 -2.00 0.00 0.00 60.65 58.50 1kx7 h LYS 68 Cb 0.44 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1kx7 h LYS 68 CO 0.10 0.88 0.19 0.00 -2.00 0.00 0.00 179.45 178.61 1kx7 h ALA 69 N 1.24 2.14 0.18 0.07 0.00 -1.67 -0.07 119.26 121.14 1kx7 h ALA 69 Ca 0.29 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 1kx7 h ALA 69 Cb 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.87 1kx7 h ALA 69 CO -0.04 -0.20 -1.32 0.00 0.00 0.00 0.00 179.25 177.68 1kx7 h ALA 70 N 1.86 -0.08 -0.25 0.00 0.00 0.70 -0.70 119.26 120.79 1kx7 h ALA 70 Ca 0.12 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1kx7 h ALA 70 Cb 0.38 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1kx7 h ALA 70 CO -0.01 0.67 -0.30 0.97 0.00 0.00 0.00 179.25 180.57 1kx7 h ILE 71 N 0.20 1.31 -0.06 0.00 -0.00 -1.29 -3.18 117.51 114.48 1kx7 h ILE 71 Ca -0.22 -1.49 -0.06 0.00 -0.00 0.00 0.00 64.86 63.10 1kx7 h ILE 71 Cb 2.01 1.69 -0.01 0.00 -0.00 0.00 0.00 36.82 40.50 1kx7 h ILE 71 CO 0.25 0.47 -0.23 1.05 -0.00 0.00 0.00 178.15 179.69 1kx7 h GLU 72 N 0.36 0.11 -0.55 2.19 -0.00 -1.01 -2.16 114.58 113.52 1kx7 h GLU 72 Ca 0.03 -0.03 0.11 0.00 -0.00 0.00 0.00 59.36 59.47 1kx7 h GLU 72 Cb 0.88 -0.01 -0.09 0.00 -0.00 0.00 0.00 28.75 29.53 1kx7 h GLU 72 CO 0.07 0.34 0.02 0.35 -0.00 0.00 0.00 179.01 179.79 1kx7 h PHE 73 N 0.10 -0.00 -0.20 2.06 3.04 -1.10 -1.41 116.94 119.42 1kx7 h PHE 73 Ca 0.02 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1kx7 h PHE 73 Cb 0.47 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1kx7 h PHE 73 CO 0.00 -0.12 0.05 0.52 -2.02 0.00 0.00 178.31 176.75 1kx7 h MET 74 N 0.13 0.32 0.00 1.11 2.86 -1.46 -3.48 114.93 114.41 1kx7 h MET 74 Ca 0.28 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1kx7 h MET 74 Cb 0.43 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1kx7 h MET 74 CO -0.45 0.44 0.00 0.45 1.06 0.00 0.00 176.91 178.41 1kx7 n SER 75 N -4.77 0.00 0.00 1.22 2.88 -0.53 -4.90 113.62 107.52 1kx7 n SER 75 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1kx7 n SER 75 Cb 0.17 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.15 0.00 0.00 -1.46 2.85 -1.25 -4.66 118.16 112.50 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 0.72 1.03 0.58 0.00 -1.26 -4.61 120.51 116.97 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 0.12 0.00 0.00 0.00 0.00 19.45 19.57 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86