#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk4 s LEU 2 N 0.00 3.91 0.88 4.03 1.02 -1.26 -5.04 118.68 122.22 1xk4 s LEU 2 Ca 0.00 2.45 -0.12 0.00 0.02 0.00 0.00 54.13 56.48 1xk4 s LEU 2 Cb 0.00 -4.31 0.12 0.00 0.02 0.00 0.00 46.19 42.01 1xk4 s LEU 2 CO 0.00 -1.22 1.12 0.42 0.02 0.00 0.00 176.35 176.69 1xk4 s THR 3 N -1.49 2.36 0.26 5.49 -4.23 -1.26 -4.84 115.64 111.93 1xk4 s THR 3 Ca 0.68 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1xk4 s THR 3 Cb -0.32 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 70.91 1xk4 s THR 3 CO 0.38 -0.15 1.91 -0.33 -0.54 0.00 0.00 174.62 175.88 1xk4 h GLU 4 N -1.39 1.18 -0.35 3.99 4.39 -1.99 -0.83 114.58 119.58 1xk4 h GLU 4 Ca -0.50 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.08 1xk4 h GLU 4 Cb 1.31 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1xk4 h GLU 4 CO 0.61 0.83 0.16 1.25 -1.16 0.00 0.00 179.01 180.70 1xk4 h LEU 5 N 1.20 0.47 -0.94 1.33 6.46 -1.99 -1.40 115.31 120.44 1xk4 h LEU 5 Ca 0.31 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1xk4 h LEU 5 Cb -0.04 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.73 1xk4 h LEU 5 CO -0.06 0.47 0.42 -0.33 -0.62 0.00 0.00 178.44 178.33 1xk4 h GLU 6 N 0.43 1.18 -0.41 1.25 5.08 -1.84 -1.55 114.58 118.71 1xk4 h GLU 6 Ca 0.12 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1xk4 h GLU 6 Cb 0.14 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xk4 h GLU 6 CO -0.01 0.89 -0.11 0.87 -1.00 0.00 0.00 179.01 179.65 1xk4 h LYS 7 N 1.18 0.73 -0.50 2.33 1.57 -1.06 -0.73 116.57 120.09 1xk4 h LYS 7 Ca 0.29 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1xk4 h LYS 7 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1xk4 h LYS 7 CO -0.04 0.81 0.28 0.00 -0.57 0.00 0.00 179.45 179.93 1xk4 h ALA 8 N 1.22 0.64 -0.77 3.86 0.00 -0.83 -0.50 119.26 122.89 1xk4 h ALA 8 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xk4 h ALA 8 Cb 0.57 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1xk4 h ALA 8 CO 0.04 0.15 0.45 -0.07 0.00 0.00 0.00 179.25 179.82 1xk4 h LEU 9 N 0.67 0.93 -1.20 0.00 3.38 -0.91 -2.14 115.31 116.05 1xk4 h LEU 9 Ca 0.18 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1xk4 h LEU 9 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xk4 h LEU 9 CO -0.03 0.73 -0.36 0.78 0.09 0.00 0.00 178.44 179.65 1xk4 h ASN 10 N 1.05 0.00 0.53 -0.43 2.35 -0.91 -2.41 115.58 115.76 1xk4 h ASN 10 Ca 0.27 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 1xk4 h ASN 10 Cb -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1xk4 h ASN 10 CO -0.05 0.36 -0.59 -1.28 -1.65 0.00 0.00 177.43 174.22 1xk4 h SER 11 N 0.00 0.07 -0.75 5.81 0.87 -0.62 -2.26 113.55 116.67 1xk4 h SER 11 Ca -0.00 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1xk4 h SER 11 Cb 0.74 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1xk4 h SER 11 CO 0.05 0.64 0.38 0.40 -0.53 0.00 0.00 176.83 177.77 1xk4 h ILE 12 N 0.05 1.24 -0.87 2.23 2.04 -0.88 -0.26 117.51 121.05 1xk4 h ILE 12 Ca -0.01 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1xk4 h ILE 12 Cb 1.05 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1xk4 h ILE 12 CO 0.08 0.28 0.57 0.40 0.00 0.00 0.00 178.15 179.48 1xk4 h ILE 13 N 1.06 1.20 -0.63 -0.67 2.04 -1.35 -2.51 117.51 116.65 1xk4 h ILE 13 Ca 0.26 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1xk4 h ILE 13 Cb 0.10 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 1xk4 h ILE 13 CO -0.04 0.21 0.15 -0.78 0.00 0.00 0.00 178.15 177.70 1xk4 h ASP 14 N 1.16 0.96 -0.01 1.72 3.58 -0.88 -1.42 116.42 121.54 1xk4 h ASP 14 Ca 0.33 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1xk4 h ASP 14 Cb -0.10 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.66 1xk4 h ASP 14 CO -0.08 0.95 -0.18 0.58 -2.88 0.00 0.00 179.24 177.62 1xk4 h VAL 15 N 0.93 0.56 -0.35 2.25 2.07 -0.85 -1.41 116.25 119.45 1xk4 h VAL 15 Ca 0.20 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1xk4 h VAL 15 Cb 0.36 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1xk4 h VAL 15 CO 0.00 0.00 0.05 0.22 0.02 0.00 0.00 177.57 177.87 1xk4 h TYR 16 N -0.29 0.08 -0.73 1.57 3.20 -1.12 -2.02 116.97 117.65 1xk4 h TYR 16 Ca 0.06 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.09 1xk4 h TYR 16 Cb 0.37 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1xk4 h TYR 16 CO -0.23 -0.00 0.49 1.25 -1.64 0.00 0.00 178.16 178.02 1xk4 h HIS 17 N 0.17 0.50 -1.00 -3.82 2.76 -1.04 0.30 115.15 113.02 1xk4 h HIS 17 Ca 0.17 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.41 1xk4 h HIS 17 Cb 0.21 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 28.94 1xk4 h HIS 17 CO -0.20 0.20 0.64 0.87 -1.30 0.00 0.00 177.93 178.14 1xk4 h LYS 18 N 0.44 1.15 0.00 5.26 1.57 -0.49 -2.49 116.57 122.02 1xk4 h LYS 18 Ca 0.36 -0.07 -0.33 0.00 -1.87 0.00 0.00 60.65 58.74 1xk4 h LYS 18 Cb 0.77 -0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1xk4 h LYS 18 CO -0.11 0.76 -2.04 0.66 -0.57 0.00 0.00 179.45 178.15 1xk4 n TYR 19 N -4.50 0.51 0.21 -1.35 4.01 -0.71 -4.13 117.16 111.21 1xk4 n TYR 19 Ca 0.15 0.18 0.10 0.00 -0.16 0.00 0.00 57.90 58.17 1xk4 n TYR 19 Cb 0.17 -1.09 0.40 0.00 -0.31 0.00 0.00 39.34 38.51 1xk4 n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xk4 h SER 20 N 0.00 0.00 1.00 7.72 4.64 -0.90 -2.93 113.55 123.08 1xk4 h SER 20 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1xk4 h SER 20 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1xk4 h SER 20 CO 0.05 0.23 0.00 0.18 -0.87 0.00 0.00 176.83 176.43 1xk4 n LEU 21 N -3.33 0.43 0.01 5.97 4.77 -0.94 -4.15 117.00 119.76 1xk4 n LEU 21 Ca 0.01 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.46 1xk4 n LEU 21 Cb 0.47 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1xk4 n LEU 21 CO 0.34 -0.24 0.76 0.40 -1.33 0.00 0.00 177.39 177.32 1xk4 h ILE 22 N 0.00 0.61 -3.51 -0.08 2.04 -1.68 -3.46 117.51 111.43 1xk4 h ILE 22 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1xk4 h ILE 22 Cb 0.50 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 1xk4 h ILE 22 CO 0.00 0.00 -0.07 -1.59 0.00 0.00 0.00 178.15 176.49 1xk4 s LYS 23 N -6.14 1.44 5.53 2.37 -2.85 -1.26 -5.13 119.74 113.69 1xk4 s LYS 23 Ca -0.14 -1.07 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1xk4 s LYS 23 Cb 0.10 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1xk4 s LYS 23 CO 0.67 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1xk4 n GLY 24 N -0.34 2.40 3.72 0.59 0.00 -1.26 -4.54 105.19 105.75 1xk4 n GLY 24 Ca -0.06 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1xk4 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xk4 s ASN 25 N -4.00 6.83 0.00 1.61 3.84 -1.26 -4.90 114.94 117.06 1xk4 s ASN 25 Ca 0.00 2.34 0.29 0.00 0.21 0.00 0.00 52.86 55.70 1xk4 s ASN 25 Cb 0.00 -2.59 1.67 0.00 -0.55 0.00 0.00 41.25 39.78 1xk4 s ASN 25 CO 0.00 -0.64 2.05 0.49 -2.79 0.00 0.00 177.10 176.21 1xk4 n PHE 26 N 3.76 0.00 -1.22 0.43 3.72 -1.26 -1.88 117.46 121.01 1xk4 n PHE 26 Ca 0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.47 1xk4 n PHE 26 Cb 0.42 -0.05 0.23 0.00 -0.94 0.00 0.00 39.48 39.14 1xk4 n PHE 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1xk4 n HIS 27 N -1.05 1.55 -3.89 1.38 8.25 -1.26 -4.43 115.22 115.77 1xk4 n HIS 27 Ca 0.20 -1.36 -0.12 0.00 -0.26 0.00 0.00 57.72 56.19 1xk4 n HIS 27 Cb 0.12 -0.54 -0.14 0.00 1.12 0.00 0.00 29.99 30.56 1xk4 n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xk4 s ALA 28 N -3.09 0.03 -0.18 -1.41 0.00 -0.79 -4.48 121.76 111.85 1xk4 s ALA 28 Ca 0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1xk4 s ALA 28 Cb 0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1xk4 s ALA 28 CO 0.06 0.00 -0.02 0.08 0.00 0.00 0.00 175.76 175.89 1xk4 s VAL 29 N -0.05 3.94 0.63 0.00 1.01 -0.17 -4.48 120.40 121.28 1xk4 s VAL 29 Ca -0.00 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1xk4 s VAL 29 Cb -0.00 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.73 1xk4 s VAL 29 CO -0.00 0.46 0.87 -0.31 0.00 0.00 0.00 175.10 176.12 1xk4 s TYR 30 N 0.63 1.31 0.15 5.22 2.02 -1.26 -0.01 117.35 125.41 1xk4 s TYR 30 Ca -0.01 -0.64 -0.18 0.00 -0.37 0.00 0.00 57.07 55.87 1xk4 s TYR 30 Cb -0.14 -2.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.05 1xk4 s TYR 30 CO 0.02 -1.38 1.70 0.00 -1.57 0.00 0.00 175.55 174.33 1xk4 h ARG 31 N -0.06 0.06 -0.13 -0.62 3.08 -1.99 -0.71 114.38 114.02 1xk4 h ARG 31 Ca -0.31 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 1xk4 h ARG 31 Cb 1.28 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1xk4 h ARG 31 CO 0.40 0.04 -0.42 0.22 -1.07 0.00 0.00 179.97 179.14 1xk4 h ASP 32 N 0.07 0.30 -0.29 7.04 3.58 -1.99 -2.16 116.42 122.96 1xk4 h ASP 32 Ca 0.15 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1xk4 h ASP 32 Cb 0.21 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1xk4 h ASP 32 CO -0.27 0.69 0.14 0.44 -2.88 0.00 0.00 179.24 177.36 1xk4 h ASP 33 N 0.24 0.38 -0.82 2.28 3.32 -1.70 -1.14 116.42 118.98 1xk4 h ASP 33 Ca 0.02 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1xk4 h ASP 33 Cb 0.85 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 1xk4 h ASP 33 CO 0.07 0.41 0.42 0.25 -1.72 0.00 0.00 179.24 178.67 1xk4 h LEU 34 N 0.33 1.04 -0.54 1.55 5.85 -1.07 0.14 115.31 122.61 1xk4 h LEU 34 Ca 0.10 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1xk4 h LEU 34 Cb 0.13 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1xk4 h LEU 34 CO -0.01 0.86 0.19 0.50 -0.34 0.00 0.00 178.44 179.64 1xk4 h LYS 35 N 1.15 0.36 -0.65 1.25 3.64 -1.12 0.18 116.57 121.38 1xk4 h LYS 35 Ca 0.28 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1xk4 h LYS 35 Cb 0.07 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1xk4 h LYS 35 CO -0.04 0.24 0.12 0.87 -2.27 0.00 0.00 179.45 178.37 1xk4 h LYS 36 N 0.38 1.05 -0.30 1.90 1.57 -0.75 -1.28 116.57 119.14 1xk4 h LYS 36 Ca 0.26 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xk4 h LYS 36 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1xk4 h LYS 36 CO -0.27 0.96 0.13 1.25 -0.57 0.00 0.00 179.45 180.95 1xk4 h LEU 37 N 0.99 0.40 -0.86 2.94 6.46 0.03 -1.83 115.31 123.44 1xk4 h LEU 37 Ca 0.20 -0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1xk4 h LEU 37 Cb 0.41 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1xk4 h LEU 37 CO 0.01 0.43 0.10 -0.07 -0.62 0.00 0.00 178.44 178.29 1xk4 h LEU 38 N 0.34 0.90 -0.79 2.25 3.38 -0.48 0.20 115.31 121.11 1xk4 h LEU 38 Ca 0.10 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1xk4 h LEU 38 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xk4 h LEU 38 CO -0.01 0.90 -0.21 -0.33 0.09 0.00 0.00 178.44 178.89 1xk4 h GLU 39 N 0.90 0.69 0.03 1.13 5.08 -1.15 -2.84 114.58 118.42 1xk4 h GLU 39 Ca 0.18 -0.26 -0.33 0.00 -1.00 0.00 0.00 59.36 57.95 1xk4 h GLU 39 Cb 0.39 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1xk4 h GLU 39 CO 0.01 0.84 -1.97 2.41 -1.00 0.00 0.00 179.01 179.30 1xk4 n THR 40 N -4.13 1.59 0.33 1.13 -1.04 -0.70 -4.63 114.28 106.84 1xk4 n THR 40 Ca 0.00 -0.76 0.06 0.00 -2.04 0.00 0.00 64.05 61.31 1xk4 n THR 40 Cb 0.41 -1.10 -0.08 0.00 -1.82 0.00 0.00 70.33 67.74 1xk4 n THR 40 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xk4 n GLU 41 N -3.10 1.87 -4.39 -2.82 -0.58 0.66 -5.02 120.64 107.26 1xk4 n GLU 41 Ca -0.26 -0.05 -0.29 0.00 -0.42 0.00 0.00 57.16 56.15 1xk4 n GLU 41 Cb 1.07 -1.17 -0.13 0.00 -0.57 0.00 0.00 31.44 30.64 1xk4 n GLU 41 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1xk4 s SER 42 N -2.71 3.37 0.78 1.62 1.04 -1.07 -5.03 113.70 111.70 1xk4 s SER 42 Ca 0.01 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 1xk4 s SER 42 Cb 0.09 -0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.03 1xk4 s SER 42 CO 0.51 0.17 1.09 -2.16 0.98 0.00 0.00 173.24 173.83 1xk4 s PRO 43 N -2.17 2.23 0.33 4.02 0.04 -1.26 -4.75 135.00 133.43 1xk4 s PRO 43 Ca 0.15 0.68 0.05 0.00 0.04 0.00 0.00 61.00 61.92 1xk4 s PRO 43 Cb -0.10 -1.93 0.69 0.00 0.04 0.00 0.00 34.50 33.20 1xk4 s PRO 43 CO 0.07 -1.53 1.89 0.37 0.04 0.00 0.00 177.00 177.83 1xk4 h GLN 44 N -1.02 0.82 0.00 4.56 -0.00 -1.98 0.14 115.11 117.62 1xk4 h GLN 44 Ca -0.46 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.13 1xk4 h GLN 44 Cb 1.26 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.55 1xk4 h GLN 44 CO 0.59 0.54 -0.05 0.10 0.00 0.00 0.00 178.83 180.01 1xk4 h TYR 45 N 0.84 0.00 0.03 3.99 -0.00 -2.00 -0.24 116.97 119.59 1xk4 h TYR 45 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 59.01 1xk4 h TYR 45 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.20 1xk4 h TYR 45 CO -0.00 0.05 -0.72 0.82 -0.00 0.00 0.00 178.16 178.31 1xk4 h ILE 46 N 0.00 1.36 -0.53 -0.90 1.08 -1.41 -3.38 117.51 113.73 1xk4 h ILE 46 Ca -0.00 -2.32 0.06 0.00 -0.39 0.00 0.00 64.86 62.20 1xk4 h ILE 46 Cb 0.41 2.89 -0.03 0.00 -3.07 0.00 0.00 36.82 37.02 1xk4 h ILE 46 CO 0.01 0.54 0.35 0.03 -0.69 0.00 0.00 178.15 178.39 1xk4 h ARG 47 N -0.82 0.47 0.00 2.37 3.08 -0.68 -2.91 114.38 115.90 1xk4 h ARG 47 Ca -0.18 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1xk4 h ARG 47 Cb 1.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1xk4 h ARG 47 CO -0.04 0.31 0.00 1.57 -1.07 0.00 0.00 179.97 180.74 1xk4 h LYS 48 N 0.49 0.00 -0.39 0.04 2.10 -1.23 -0.84 116.57 116.75 1xk4 h LYS 48 Ca 0.23 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.91 1xk4 h LYS 48 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 1xk4 h LYS 48 CO -0.06 0.00 0.26 -0.22 -2.00 0.00 0.00 179.45 177.43 1xk4 h LYS 49 N 0.00 0.37 0.00 0.07 3.64 -1.75 -3.48 116.57 115.41 1xk4 h LYS 49 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xk4 h LYS 49 Cb 0.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xk4 h LYS 49 CO 0.00 0.24 0.00 0.41 -2.27 0.00 0.00 179.45 177.83 1xk4 n GLY 50 N -1.51 2.35 0.32 5.01 0.00 -0.32 -4.57 105.19 106.47 1xk4 n GLY 50 Ca 0.04 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 1xk4 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xk4 h ALA 51 N 0.00 0.95 -0.58 4.61 0.00 -1.94 -0.93 119.26 121.36 1xk4 h ALA 51 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1xk4 h ALA 51 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1xk4 h ALA 51 CO 0.00 0.67 0.05 -0.44 0.00 0.00 0.00 179.25 179.53 1xk4 h ASP 52 N 1.05 0.96 -0.37 0.00 3.32 -1.93 0.97 116.42 120.43 1xk4 h ASP 52 Ca 0.21 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1xk4 h ASP 52 Cb 0.40 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1xk4 h ASP 52 CO 0.01 1.01 0.21 0.58 -1.72 0.00 0.00 179.24 179.32 1xk4 h VAL 53 N 0.89 1.02 -0.60 -1.35 2.07 -1.73 -1.76 116.25 114.79 1xk4 h VAL 53 Ca 0.17 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1xk4 h VAL 53 Cb 0.48 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1xk4 h VAL 53 CO 0.02 0.08 0.37 -0.50 0.02 0.00 0.00 177.57 177.55 1xk4 h TRP 54 N 0.42 0.78 -0.66 1.57 4.06 -0.93 -2.19 115.95 119.00 1xk4 h TRP 54 Ca 0.15 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.11 1xk4 h TRP 54 Cb 0.03 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.90 1xk4 h TRP 54 CO -0.08 0.52 0.44 0.35 -3.56 0.00 0.00 178.44 176.10 1xk4 h PHE 55 N 0.81 0.82 -0.52 0.49 3.57 -0.58 0.44 116.94 121.96 1xk4 h PHE 55 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1xk4 h PHE 55 Cb -0.04 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1xk4 h PHE 55 CO -0.02 0.51 0.00 -0.22 -2.23 0.00 0.00 178.31 176.35 1xk4 h LYS 56 N 0.89 0.87 -0.56 1.11 3.64 -1.17 -0.10 116.57 121.24 1xk4 h LYS 56 Ca 0.25 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1xk4 h LYS 56 Cb -0.09 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1xk4 h LYS 56 CO -0.06 0.87 -0.04 1.49 -2.27 0.00 0.00 179.45 179.44 1xk4 h GLU 57 N 0.81 1.01 0.00 1.90 4.81 -0.75 -3.31 114.58 119.05 1xk4 h GLU 57 Ca 0.15 -0.34 -0.20 0.00 -0.13 0.00 0.00 59.36 58.84 1xk4 h GLU 57 Cb 0.48 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1xk4 h GLU 57 CO 0.02 1.03 -1.09 -0.07 -0.73 0.00 0.00 179.01 178.17 1xk4 h LEU 58 N 0.90 0.00 -7.60 1.64 3.38 -0.64 -3.41 115.31 109.58 1xk4 h LEU 58 Ca 0.15 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.44 1xk4 h LEU 58 Cb 0.59 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1xk4 h LEU 58 CO 0.04 0.85 2.31 -0.67 0.09 0.00 0.00 178.44 181.06 1xk4 n ASP 59 N -3.21 4.80 -0.30 -0.43 2.03 -0.08 -4.78 116.55 114.58 1xk4 n ASP 59 Ca -0.04 -2.91 -0.05 0.00 0.52 0.00 0.00 54.79 52.31 1xk4 n ASP 59 Cb 0.91 -1.73 0.07 0.00 -0.72 0.00 0.00 41.12 39.65 1xk4 n ASP 59 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1xk4 h ILE 60 N 5.33 1.24 -0.24 5.18 1.08 -1.85 -2.09 117.51 126.16 1xk4 h ILE 60 Ca 0.46 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1xk4 h ILE 60 Cb 0.84 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1xk4 h ILE 60 CO 1.51 0.26 0.00 -0.46 -0.69 0.00 0.00 178.15 178.78 1xk4 n ASN 61 N -4.41 2.07 -4.06 1.72 6.94 -1.26 -4.95 115.26 111.31 1xk4 n ASN 61 Ca 0.08 -1.80 -0.28 0.00 -0.02 0.00 0.00 54.58 52.56 1xk4 n ASN 61 Cb 0.08 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1xk4 n ASN 61 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1xk4 n THR 62 N 0.59 -2.39 -0.36 5.53 -2.24 -0.79 -4.88 114.28 109.74 1xk4 n THR 62 Ca 0.16 -0.41 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1xk4 n THR 62 Cb 0.38 -2.23 0.33 0.00 -2.10 0.00 0.00 70.33 66.71 1xk4 n THR 62 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xk4 n ASP 63 N -2.91 4.01 -0.59 3.42 5.75 -1.26 -4.96 116.55 120.00 1xk4 n ASP 63 Ca -0.25 -2.05 -0.07 0.00 -0.01 0.00 0.00 54.79 52.41 1xk4 n ASP 63 Cb 0.65 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 1xk4 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xk4 n GLY 64 N 1.61 0.84 3.12 6.12 0.00 -1.26 -5.04 105.19 110.59 1xk4 n GLY 64 Ca 0.25 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 1xk4 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xk4 s ALA 65 N -2.28 0.22 -0.27 4.61 0.00 -1.26 -4.59 121.76 118.19 1xk4 s ALA 65 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1xk4 s ALA 65 Cb 0.00 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.46 1xk4 s ALA 65 CO 0.00 -0.39 -0.02 0.08 0.00 0.00 0.00 175.76 175.43 1xk4 s VAL 66 N -3.64 3.21 0.83 0.00 1.01 0.98 -4.67 120.40 118.11 1xk4 s VAL 66 Ca 0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1xk4 s VAL 66 Cb 0.05 -2.65 0.16 0.00 0.00 0.00 0.00 36.38 33.94 1xk4 s VAL 66 CO -0.09 0.14 1.14 0.54 0.00 0.00 0.00 175.10 176.83 1xk4 s ASN 67 N 1.37 3.82 0.22 3.32 2.20 -1.26 -0.99 114.94 123.62 1xk4 s ASN 67 Ca 0.01 -0.05 -0.08 0.00 -0.94 0.00 0.00 52.86 51.79 1xk4 s ASN 67 Cb -0.17 -0.19 0.18 0.00 -2.00 0.00 0.00 41.25 39.08 1xk4 s ASN 67 CO -0.02 -2.24 1.84 0.15 -2.94 0.00 0.00 177.10 173.89 1xk4 h PHE 68 N -1.02 1.17 -0.18 1.54 3.57 -2.00 -0.78 116.94 119.23 1xk4 h PHE 68 Ca -0.40 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1xk4 h PHE 68 Cb 1.25 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1xk4 h PHE 68 CO -0.59 0.82 -0.34 -0.56 -2.23 0.00 0.00 178.31 175.41 1xk4 h GLN 69 N 1.18 0.37 -0.49 1.11 3.07 -1.98 -1.63 115.11 116.74 1xk4 h GLN 69 Ca 0.30 -0.16 -0.11 0.00 0.09 0.00 0.00 58.65 58.77 1xk4 h GLN 69 Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 1xk4 h GLN 69 CO -0.05 0.66 -0.11 0.93 0.09 0.00 0.00 178.83 180.35 1xk4 h GLU 70 N 0.31 0.94 -0.78 0.06 5.08 -1.80 -3.00 114.58 115.40 1xk4 h GLU 70 Ca 0.04 -0.36 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1xk4 h GLU 70 Cb 0.75 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1xk4 h GLU 70 CO 0.06 1.02 0.43 0.35 -1.00 0.00 0.00 179.01 179.87 1xk4 h PHE 71 N 0.79 0.78 -0.73 4.33 3.57 -0.81 -1.99 116.94 122.88 1xk4 h PHE 71 Ca 0.12 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.86 1xk4 h PHE 71 Cb 0.67 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1xk4 h PHE 71 CO 0.05 0.32 0.60 -0.07 -2.23 0.00 0.00 178.31 176.99 1xk4 h LEU 72 N 0.74 0.00 -0.44 0.59 3.38 -1.15 0.19 115.31 118.62 1xk4 h LEU 72 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1xk4 h LEU 72 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xk4 h LEU 72 CO -0.24 0.00 0.24 0.40 0.09 0.00 0.00 178.44 178.93 1xk4 h ILE 73 N 0.00 1.16 -0.52 1.22 2.04 -1.43 0.00 117.51 119.98 1xk4 h ILE 73 Ca 0.35 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1xk4 h ILE 73 Cb 1.55 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1xk4 h ILE 73 CO -0.00 0.17 0.20 0.25 0.00 0.00 0.00 178.15 178.77 1xk4 h LEU 74 N 0.57 0.72 -0.96 1.44 5.85 -1.08 -1.41 115.31 120.43 1xk4 h LEU 74 Ca 0.15 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xk4 h LEU 74 Cb 0.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1xk4 h LEU 74 CO -0.02 0.69 0.53 0.58 -0.34 0.00 0.00 178.44 179.87 1xk4 h VAL 75 N 0.70 1.26 -0.14 1.05 2.07 -1.06 0.51 116.25 120.64 1xk4 h VAL 75 Ca 0.17 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1xk4 h VAL 75 Cb 0.20 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1xk4 h VAL 75 CO -0.01 0.28 0.06 0.40 0.02 0.00 0.00 177.57 178.32 1xk4 h ILE 76 N 1.26 1.12 -0.65 4.57 2.04 -0.85 -1.21 117.51 123.79 1xk4 h ILE 76 Ca 0.32 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1xk4 h ILE 76 Cb -0.02 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1xk4 h ILE 76 CO -0.06 0.11 0.09 0.11 0.00 0.00 0.00 178.15 178.41 1xk4 h LYS 77 N 0.09 1.08 -0.71 2.37 1.57 -0.86 -0.06 116.57 120.06 1xk4 h LYS 77 Ca 0.05 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1xk4 h LYS 77 Cb 0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1xk4 h LYS 77 CO -0.01 1.00 0.42 0.52 -0.57 0.00 0.00 179.45 180.81 1xk4 h MET 78 N 1.01 0.96 -0.13 3.15 2.86 -0.87 -1.20 114.93 120.72 1xk4 h MET 78 Ca 0.20 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1xk4 h MET 78 Cb 0.45 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1xk4 h MET 78 CO 0.01 0.69 0.06 0.78 1.06 0.00 0.00 176.91 179.51 1xk4 h GLY 79 N 0.96 0.20 0.99 8.32 0.00 -0.84 0.68 103.07 113.37 1xk4 h GLY 79 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1xk4 h GLY 79 CO -0.05 0.09 0.32 -2.08 0.00 0.00 0.00 176.54 174.83 1xk4 h VAL 80 N 0.07 1.19 -0.37 4.60 2.07 -0.91 -0.18 116.25 122.72 1xk4 h VAL 80 Ca 0.04 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1xk4 h VAL 80 Cb 0.13 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1xk4 h VAL 80 CO -0.01 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1xk4 h ALA 81 N 1.15 0.50 -0.73 1.67 0.00 -1.14 -1.77 119.26 118.94 1xk4 h ALA 81 Ca 0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xk4 h ALA 81 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xk4 h ALA 81 CO -0.03 0.27 0.21 0.00 0.00 0.00 0.00 179.25 179.69 1xk4 h ALA 82 N 0.87 0.99 -0.49 0.00 0.00 -0.61 -1.94 119.26 118.07 1xk4 h ALA 82 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xk4 h ALA 82 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xk4 h ALA 82 CO 0.02 0.67 0.32 1.25 0.00 0.00 0.00 179.25 181.51 1xk4 h HIS 83 N 1.09 0.63 -0.44 0.00 6.17 -0.84 0.04 115.15 121.79 1xk4 h HIS 83 Ca 0.23 0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.40 1xk4 h HIS 83 Cb 0.34 -0.21 -0.06 0.00 2.52 0.00 0.00 27.41 29.99 1xk4 h HIS 83 CO 0.03 0.41 0.07 0.87 0.71 0.00 0.00 177.93 180.01 1xk4 h LYS 84 N 0.67 0.19 -0.87 5.26 1.57 -1.07 -2.54 116.57 119.78 1xk4 h LYS 84 Ca 0.18 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1xk4 h LYS 84 Cb -0.06 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1xk4 h LYS 84 CO -0.04 0.13 0.55 0.87 -0.57 0.00 0.00 179.45 180.39 1xk4 h LYS 85 N 0.20 1.17 0.00 3.15 1.79 -0.89 -2.90 116.57 119.08 1xk4 h LYS 85 Ca 0.22 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1xk4 h LYS 85 Cb 0.28 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1xk4 h LYS 85 CO -0.30 0.80 0.00 -1.13 -1.08 0.00 0.00 179.45 177.74 1xk4 n SER 86 N -4.44 0.49 -3.34 0.86 3.41 -0.04 -2.26 113.62 108.29 1xk4 n SER 86 Ca 0.09 0.64 -0.26 0.00 -0.26 0.00 0.00 58.87 59.09 1xk4 n SER 86 Cb 0.04 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.17 1xk4 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xk4 n HIS 87 N -2.06 1.31 -1.88 7.33 1.44 -1.10 -5.11 115.22 115.16 1xk4 n HIS 87 Ca 0.02 -3.81 0.00 0.00 -2.01 0.00 0.00 57.72 51.92 1xk4 n HIS 87 Cb 0.17 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 29.89 1xk4 n HIS 87 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62