#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 3.90 0.85 4.03 1.02 -1.26 -5.05 118.68 122.17 1xk4 s LEU 2 Ca 0.00 2.21 -0.12 0.00 0.02 0.00 0.00 54.13 56.24 1xk4 s LEU 2 Cb 0.00 -4.40 0.10 0.00 0.02 0.00 0.00 46.19 41.91 1xk4 s LEU 2 CO 0.00 -1.01 1.12 0.42 0.02 0.00 0.00 176.35 176.90 1xk4 s THR 3 N -1.67 2.46 0.42 5.49 -4.23 -1.26 -4.86 115.64 111.99 1xk4 s THR 3 Ca 0.67 0.15 0.10 0.00 -1.18 0.00 0.00 61.69 61.44 1xk4 s THR 3 Cb -0.25 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 70.85 1xk4 s THR 3 CO 0.30 -0.20 1.99 -0.33 -0.54 0.00 0.00 174.62 175.85 1xk4 h GLU 4 N -1.26 0.26 -0.18 3.99 4.39 -1.99 -1.23 114.58 118.58 1xk4 h GLU 4 Ca -0.48 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 1xk4 h GLU 4 Cb 1.30 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1xk4 h GLU 4 CO 0.62 0.30 -0.01 1.25 -1.16 0.00 0.00 179.01 180.00 1xk4 h LEU 5 N 0.26 0.32 -1.04 1.33 6.46 -1.99 -1.03 115.31 119.61 1xk4 h LEU 5 Ca 0.06 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1xk4 h LEU 5 Cb 0.20 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1xk4 h LEU 5 CO 0.01 0.57 0.29 -0.33 -0.62 0.00 0.00 178.44 178.36 1xk4 h GLU 6 N 0.05 0.98 -0.18 1.25 5.08 -1.88 -1.59 114.58 118.29 1xk4 h GLU 6 Ca 0.05 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1xk4 h GLU 6 Cb 0.42 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1xk4 h GLU 6 CO 0.01 0.78 -0.36 0.87 -1.00 0.00 0.00 179.01 179.31 1xk4 h LYS 7 N 0.97 0.39 -0.47 2.33 1.57 -1.10 -1.49 116.57 118.76 1xk4 h LYS 7 Ca 0.23 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1xk4 h LYS 7 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1xk4 h LYS 7 CO -0.02 0.70 -0.01 0.00 -0.57 0.00 0.00 179.45 179.55 1xk4 h ALA 8 N 1.29 0.64 -0.47 3.86 0.00 -0.39 0.10 119.26 124.28 1xk4 h ALA 8 Ca 0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1xk4 h ALA 8 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xk4 h ALA 8 CO 0.06 0.44 -0.01 -0.07 0.00 0.00 0.00 179.25 179.67 1xk4 h LEU 9 N 0.69 0.83 -1.34 0.00 3.38 -1.19 -1.92 115.31 115.76 1xk4 h LEU 9 Ca 0.13 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1xk4 h LEU 9 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xk4 h LEU 9 CO 0.03 0.94 -0.03 0.78 0.09 0.00 0.00 178.44 180.25 1xk4 h ASN 10 N 0.69 0.37 -0.07 -0.43 2.35 -1.13 -2.58 115.58 114.79 1xk4 h ASN 10 Ca 0.13 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1xk4 h ASN 10 Cb 0.52 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1xk4 h ASN 10 CO 0.03 0.46 -0.18 -1.28 -1.65 0.00 0.00 177.43 174.81 1xk4 h SER 11 N 0.39 0.43 -0.43 5.81 0.87 -0.58 -1.93 113.55 118.11 1xk4 h SER 11 Ca 0.08 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1xk4 h SER 11 Cb 0.31 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1xk4 h SER 11 CO 0.01 0.63 0.19 0.40 -0.53 0.00 0.00 176.83 177.54 1xk4 h ILE 12 N 0.40 1.18 -0.44 2.23 2.04 -0.95 0.61 117.51 122.58 1xk4 h ILE 12 Ca 0.07 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1xk4 h ILE 12 Cb 0.55 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1xk4 h ILE 12 CO 0.04 0.21 0.07 0.40 0.00 0.00 0.00 178.15 178.87 1xk4 h ILE 13 N 0.67 1.24 -0.76 -0.67 2.04 -1.38 -2.45 117.51 116.20 1xk4 h ILE 13 Ca 0.16 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1xk4 h ILE 13 Cb 0.13 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1xk4 h ILE 13 CO -0.02 0.31 0.34 -0.78 0.00 0.00 0.00 178.15 178.00 1xk4 h ASP 14 N 0.59 1.02 -0.38 1.72 3.58 -0.59 -1.84 116.42 120.52 1xk4 h ASP 14 Ca 0.13 -0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.49 1xk4 h ASP 14 Cb 0.38 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1xk4 h ASP 14 CO 0.01 0.88 0.14 0.58 -2.88 0.00 0.00 179.24 177.97 1xk4 h VAL 15 N 1.10 0.91 -0.13 2.25 2.07 -0.72 -1.47 116.25 120.26 1xk4 h VAL 15 Ca 0.26 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1xk4 h VAL 15 Cb 0.16 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1xk4 h VAL 15 CO -0.03 0.06 -0.08 0.22 0.02 0.00 0.00 177.57 177.76 1xk4 h TYR 16 N 0.31 -0.19 -0.64 1.57 3.20 -1.12 -2.69 116.97 117.42 1xk4 h TYR 16 Ca 0.17 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1xk4 h TYR 16 Cb 0.13 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1xk4 h TYR 16 CO -0.14 -0.12 0.42 0.45 -1.64 0.00 0.00 178.16 177.13 1xk4 h HIS 17 N -0.08 0.77 -1.01 -3.82 3.86 -1.05 -0.41 115.15 113.41 1xk4 h HIS 17 Ca 0.08 0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.54 1xk4 h HIS 17 Cb 0.19 -0.26 -0.09 0.00 1.06 0.00 0.00 27.41 28.31 1xk4 h HIS 17 CO -0.21 0.47 0.64 0.87 0.86 0.00 0.00 177.93 180.56 1xk4 h LYS 18 N 0.81 0.47 0.00 2.45 1.57 -0.92 -1.34 116.57 119.62 1xk4 h LYS 18 Ca 0.24 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.64 1xk4 h LYS 18 Cb -0.01 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 1xk4 h LYS 18 CO -0.06 0.31 -2.27 0.66 -0.57 0.00 0.00 179.45 177.52 1xk4 n TYR 19 N -4.65 0.22 0.24 -1.35 4.01 -0.48 -4.16 117.16 110.98 1xk4 n TYR 19 Ca 0.24 0.07 0.12 0.00 -0.16 0.00 0.00 57.90 58.17 1xk4 n TYR 19 Cb 0.77 -1.04 0.58 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.18 7.72 4.64 -0.98 -2.57 113.55 122.55 1xk4 h SER 20 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xk4 h SER 20 Cb 2.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.24 1xk4 h SER 20 CO 0.02 0.17 -0.03 0.18 -0.87 0.00 0.00 176.83 176.30 1xk4 n LEU 21 N -3.42 0.40 -0.14 5.97 4.77 -0.52 -4.17 117.00 119.89 1xk4 n LEU 21 Ca -0.00 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1xk4 n LEU 21 Cb 0.36 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1xk4 n LEU 21 CO 0.31 0.07 0.93 0.40 -1.33 0.00 0.00 177.39 177.77 1xk4 h ILE 22 N 0.57 1.20 -2.78 -0.08 2.04 -1.63 -3.47 117.51 113.36 1xk4 h ILE 22 Ca 0.00 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.35 1xk4 h ILE 22 Cb 0.23 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1xk4 h ILE 22 CO 0.00 0.22 0.33 -1.59 0.00 0.00 0.00 178.15 177.11 1xk4 s LYS 23 N -5.55 1.64 5.66 2.37 -2.85 -1.26 -5.14 119.74 114.61 1xk4 s LYS 23 Ca -0.13 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 1xk4 s LYS 23 Cb 0.10 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 1xk4 s LYS 23 CO 0.75 -0.76 0.00 0.41 0.10 0.00 0.00 175.35 175.86 1xk4 n GLY 24 N -0.48 2.56 3.72 0.59 0.00 -1.26 -4.56 105.19 105.76 1xk4 n GLY 24 Ca -0.05 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 6.94 0.00 1.61 3.84 -1.26 -4.91 114.94 117.16 1xk4 s ASN 25 Ca 0.00 2.27 0.26 0.00 0.21 0.00 0.00 52.86 55.60 1xk4 s ASN 25 Cb 0.00 -2.60 1.57 0.00 -0.55 0.00 0.00 41.25 39.67 1xk4 s ASN 25 CO 0.00 -0.53 1.92 0.49 -2.79 0.00 0.00 177.10 176.19 1xk4 n PHE 26 N 3.32 0.00 -1.10 0.43 3.72 -1.26 -2.11 117.46 120.46 1xk4 n PHE 26 Ca 0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.53 1xk4 n PHE 26 Cb 0.44 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.22 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 -1.00 1.01 -3.98 1.38 8.25 -1.26 -4.55 115.22 115.07 1xk4 n HIS 27 Ca 0.20 -1.05 -0.13 0.00 -0.26 0.00 0.00 57.72 56.47 1xk4 n HIS 27 Cb 0.09 -0.36 -0.14 0.00 1.12 0.00 0.00 29.99 30.70 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 -2.93 0.16 -0.18 -1.41 0.00 -0.90 -4.41 121.76 112.10 1xk4 s ALA 28 Ca 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1xk4 s ALA 28 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1xk4 s ALA 28 CO 0.07 0.03 -0.14 0.08 0.00 0.00 0.00 175.76 175.81 1xk4 s VAL 29 N -0.09 2.67 0.67 0.00 1.01 -0.46 -4.38 120.40 119.81 1xk4 s VAL 29 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1xk4 s VAL 29 Cb -0.01 -2.16 0.09 0.00 0.00 0.00 0.00 36.38 34.30 1xk4 s VAL 29 CO -0.00 0.50 0.93 -0.31 0.00 0.00 0.00 175.10 176.21 1xk4 s TYR 30 N 1.19 2.19 0.23 5.22 2.02 -1.26 -0.04 117.35 126.91 1xk4 s TYR 30 Ca 0.02 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1xk4 s TYR 30 Cb -0.14 -2.96 0.30 0.00 -0.40 0.00 0.00 41.96 38.75 1xk4 s TYR 30 CO -0.06 -1.41 1.85 -0.09 -1.57 0.00 0.00 175.55 174.27 1xk4 h ARG 31 N -0.36 0.90 -0.39 -0.62 2.43 -1.99 0.17 114.38 114.53 1xk4 h ARG 31 Ca -0.39 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 1xk4 h ARG 31 Cb 1.28 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1xk4 h ARG 31 CO 0.47 0.60 -0.37 0.38 -1.51 0.00 0.00 179.97 179.53 1xk4 h ASP 32 N 0.93 1.00 -0.97 -3.80 2.03 -1.98 -2.58 116.42 111.06 1xk4 h ASP 32 Ca 0.35 -0.46 0.06 0.00 -0.73 0.00 0.00 57.03 56.25 1xk4 h ASP 32 Cb 0.14 -0.28 -0.06 0.00 -0.83 0.00 0.00 39.33 38.29 1xk4 h ASP 32 CO -0.16 1.26 0.62 0.44 -1.03 0.00 0.00 179.24 180.37 1xk4 h ASP 33 N 0.76 1.01 -0.63 4.15 3.32 -1.78 -2.42 116.42 120.84 1xk4 h ASP 33 Ca 0.06 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1xk4 h ASP 33 Cb 0.97 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1xk4 h ASP 33 CO 0.09 0.65 0.27 0.25 -1.72 0.00 0.00 179.24 178.78 1xk4 h LEU 34 N 1.15 0.88 -0.48 1.55 5.85 -0.81 0.04 115.31 123.50 1xk4 h LEU 34 Ca 0.41 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1xk4 h LEU 34 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1xk4 h LEU 34 CO -0.16 0.79 0.27 0.50 -0.34 0.00 0.00 178.44 179.49 1xk4 h LYS 35 N 0.95 0.67 -0.70 1.25 3.64 -1.08 -0.02 116.57 121.27 1xk4 h LYS 35 Ca 0.22 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1xk4 h LYS 35 Cb 0.18 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1xk4 h LYS 35 CO -0.02 0.52 0.26 0.87 -2.27 0.00 0.00 179.45 178.80 1xk4 h LYS 36 N 0.64 1.07 -0.17 1.90 1.57 -1.00 -0.65 116.57 119.93 1xk4 h LYS 36 Ca 0.17 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1xk4 h LYS 36 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1xk4 h LYS 36 CO -0.03 0.90 0.06 1.25 -0.57 0.00 0.00 179.45 181.06 1xk4 h LEU 37 N 1.01 0.06 -0.34 2.94 6.46 -0.37 -1.25 115.31 123.82 1xk4 h LEU 37 Ca 0.23 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1xk4 h LEU 37 Cb 0.25 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1xk4 h LEU 37 CO -0.01 0.06 0.04 -0.07 -0.62 0.00 0.00 178.44 177.84 1xk4 h LEU 38 N 0.14 0.56 -1.21 2.25 3.38 -0.74 0.19 115.31 119.88 1xk4 h LEU 38 Ca 0.07 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xk4 h LEU 38 Cb 0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1xk4 h LEU 38 CO -0.08 0.69 0.57 -0.33 0.09 0.00 0.00 178.44 179.38 1xk4 h GLU 39 N 0.41 0.88 0.00 1.13 5.08 -0.98 -2.07 114.58 119.03 1xk4 h GLU 39 Ca 0.10 -0.05 -0.32 0.00 -1.00 0.00 0.00 59.36 58.09 1xk4 h GLU 39 Cb 0.38 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1xk4 h GLU 39 CO 0.01 0.58 -2.04 2.41 -1.00 0.00 0.00 179.01 178.97 1xk4 n THR 40 N -4.51 1.45 0.11 1.13 -1.04 -0.48 -4.58 114.28 106.35 1xk4 n THR 40 Ca 0.14 -0.82 0.06 0.00 -2.04 0.00 0.00 64.05 61.39 1xk4 n THR 40 Cb 0.27 -0.72 -0.09 0.00 -1.82 0.00 0.00 70.33 67.98 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 -2.88 0.96 -4.41 -2.82 -0.58 0.62 -5.04 120.64 106.49 1xk4 n GLU 41 Ca -0.24 -0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.14 1xk4 n GLU 41 Cb 1.09 -1.24 -0.12 0.00 -0.57 0.00 0.00 31.44 30.60 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 -3.11 3.43 0.90 1.62 1.04 -0.78 -5.03 113.70 111.77 1xk4 s SER 42 Ca -0.03 -0.84 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 1xk4 s SER 42 Cb 0.08 -0.26 0.13 0.00 0.10 0.00 0.00 66.02 66.07 1xk4 s SER 42 CO 0.50 0.13 1.13 -2.16 0.98 0.00 0.00 173.24 173.82 1xk4 s PRO 43 N -2.55 1.25 0.43 4.02 0.04 -1.26 -4.70 135.00 132.23 1xk4 s PRO 43 Ca 0.20 0.33 0.17 0.00 0.04 0.00 0.00 61.00 61.73 1xk4 s PRO 43 Cb -0.08 -1.85 0.99 0.00 0.04 0.00 0.00 34.50 33.60 1xk4 s PRO 43 CO 0.09 -2.13 1.94 0.37 0.04 0.00 0.00 177.00 177.31 1xk4 h GLN 44 N -1.45 0.00 0.00 4.56 5.75 -1.98 -1.03 115.11 120.96 1xk4 h GLN 44 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1xk4 h GLN 44 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 1xk4 h GLN 44 CO 0.62 0.25 0.00 0.10 -2.65 0.00 0.00 178.83 177.14 1xk4 h TYR 45 N 0.00 0.00 0.00 3.99 -0.00 -2.00 -1.45 116.97 117.51 1xk4 h TYR 45 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.52 1xk4 h TYR 45 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.18 1xk4 h TYR 45 CO 0.00 0.00 -1.13 0.82 -0.00 0.00 0.00 178.16 177.85 1xk4 h ILE 46 N 0.00 0.92 -0.62 -0.90 1.08 -1.58 -3.39 117.51 113.02 1xk4 h ILE 46 Ca 0.00 -2.12 0.16 0.00 -0.39 0.00 0.00 64.86 62.51 1xk4 h ILE 46 Cb 0.57 2.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 1xk4 h ILE 46 CO 0.00 0.31 0.44 0.03 -0.69 0.00 0.00 178.15 178.24 1xk4 h ARG 47 N -1.00 0.14 0.00 2.37 3.08 -1.21 -2.88 114.38 114.88 1xk4 h ARG 47 Ca -0.31 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1xk4 h ARG 47 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1xk4 h ARG 47 CO -0.19 0.09 0.00 1.57 -1.07 0.00 0.00 179.97 180.38 1xk4 h LYS 48 N 0.15 0.00 0.00 0.04 2.10 -1.45 -0.20 116.57 117.20 1xk4 h LYS 48 Ca 0.30 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.91 1xk4 h LYS 48 Cb 0.98 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 1xk4 h LYS 48 CO -0.04 0.00 -0.19 -0.22 -2.00 0.00 0.00 179.45 177.00 1xk4 h LYS 49 N 0.00 0.00 0.00 0.07 3.64 -1.76 -3.49 116.57 115.04 1xk4 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xk4 h LYS 49 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1xk4 h LYS 49 CO 0.00 0.19 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 1xk4 n GLY 50 N -0.97 1.96 0.32 5.01 0.00 -0.09 -4.58 105.19 106.84 1xk4 n GLY 50 Ca -0.02 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.51 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 1.46 -0.34 4.61 0.00 -1.94 -1.45 119.26 121.60 1xk4 h ALA 51 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1xk4 h ALA 51 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xk4 h ALA 51 CO 0.00 0.44 -0.27 -0.44 0.00 0.00 0.00 179.25 178.97 1xk4 h ASP 52 N 0.77 0.83 -0.48 0.00 3.32 -1.93 0.55 116.42 119.48 1xk4 h ASP 52 Ca 0.20 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1xk4 h ASP 52 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1xk4 h ASP 52 CO -0.03 1.10 0.30 0.58 -1.72 0.00 0.00 179.24 179.48 1xk4 h VAL 53 N 0.57 1.09 -0.84 -1.35 2.07 -1.75 -0.87 116.25 115.16 1xk4 h VAL 53 Ca 0.06 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xk4 h VAL 53 Cb 0.84 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1xk4 h VAL 53 CO 0.07 0.11 0.45 -0.50 0.02 0.00 0.00 177.57 177.72 1xk4 h TRP 54 N 0.61 1.17 -0.62 1.57 4.06 -1.11 -1.78 115.95 119.84 1xk4 h TRP 54 Ca 0.18 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.06 1xk4 h TRP 54 Cb -0.03 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 27.73 1xk4 h TRP 54 CO -0.05 0.82 0.25 0.35 -3.56 0.00 0.00 178.44 176.25 1xk4 h PHE 55 N 1.18 0.94 -0.62 0.49 3.57 -0.41 -0.11 116.94 121.98 1xk4 h PHE 55 Ca 0.30 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1xk4 h PHE 55 Cb 0.05 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1xk4 h PHE 55 CO 0.01 0.75 0.02 -0.22 -2.23 0.00 0.00 178.31 176.63 1xk4 h LYS 56 N 0.87 1.07 -0.62 1.11 3.64 -1.01 -0.03 116.57 121.59 1xk4 h LYS 56 Ca 0.21 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1xk4 h LYS 56 Cb 0.20 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1xk4 h LYS 56 CO -0.02 1.03 0.10 1.49 -2.27 0.00 0.00 179.45 179.78 1xk4 h GLU 57 N 0.98 1.01 0.01 1.90 4.81 -0.96 -3.26 114.58 119.07 1xk4 h GLU 57 Ca 0.18 -0.26 -0.24 0.00 -0.13 0.00 0.00 59.36 58.91 1xk4 h GLU 57 Cb 0.54 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1xk4 h GLU 57 CO 0.03 0.93 -1.25 -0.07 -0.73 0.00 0.00 179.01 177.92 1xk4 h LEU 58 N 0.95 0.03 -7.41 1.64 3.38 -0.76 -3.40 115.31 109.74 1xk4 h LEU 58 Ca 0.19 -0.04 -0.68 0.00 0.09 0.00 0.00 57.88 57.44 1xk4 h LEU 58 Cb 0.41 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1xk4 h LEU 58 CO 0.01 1.03 2.42 -0.67 0.09 0.00 0.00 178.44 181.33 1xk4 n ASP 59 N -3.27 4.66 -0.07 -0.43 2.03 -0.05 -4.77 116.55 114.65 1xk4 n ASP 59 Ca -0.06 -2.90 -0.03 0.00 0.52 0.00 0.00 54.79 52.32 1xk4 n ASP 59 Cb 0.98 -1.73 0.21 0.00 -0.72 0.00 0.00 41.12 39.87 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 5.19 1.23 -0.53 5.18 1.08 -1.84 -2.16 117.51 125.65 1xk4 h ILE 60 Ca 0.48 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1xk4 h ILE 60 Cb 0.81 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1xk4 h ILE 60 CO 1.56 0.32 0.00 -0.46 -0.69 0.00 0.00 178.15 178.89 1xk4 n ASN 61 N -4.24 3.18 -4.24 1.72 6.94 -1.26 -4.96 115.26 112.40 1xk4 n ASN 61 Ca 0.02 -2.10 -0.30 0.00 -0.02 0.00 0.00 54.58 52.17 1xk4 n ASN 61 Cb 0.28 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.20 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 1.01 -1.02 -0.03 5.53 -2.24 -0.82 -4.88 114.28 111.84 1xk4 n THR 62 Ca 0.19 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1xk4 n THR 62 Cb 0.54 -1.01 0.24 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.74 3.52 -0.19 3.42 5.75 -1.26 -4.98 116.55 120.08 1xk4 n ASP 63 Ca -0.31 -1.97 -0.02 0.00 -0.01 0.00 0.00 54.79 52.48 1xk4 n ASP 63 Cb 0.67 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 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 1.39 0.54 3.37 6.12 0.00 -1.26 -5.04 105.19 110.30 1xk4 n GLY 64 Ca 0.20 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.09 -0.08 -0.32 4.61 0.00 -1.26 -4.46 121.76 118.16 1xk4 s ALA 65 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 1xk4 s ALA 65 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1xk4 s ALA 65 CO 0.00 -0.68 0.14 0.08 0.00 0.00 0.00 175.76 175.31 1xk4 s VAL 66 N -3.97 4.44 0.82 0.00 1.01 0.94 -4.69 120.40 118.96 1xk4 s VAL 66 Ca 0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1xk4 s VAL 66 Cb 0.03 -3.31 0.18 0.00 0.00 0.00 0.00 36.38 33.28 1xk4 s VAL 66 CO 0.01 0.02 1.12 -0.46 0.00 0.00 0.00 175.10 175.79 1xk4 n ASN 67 N 4.96 0.71 -0.15 3.32 0.23 -1.26 -1.35 115.26 121.71 1xk4 n ASN 67 Ca -0.14 -1.78 -0.11 0.00 -0.53 0.00 0.00 54.58 52.02 1xk4 n ASN 67 Cb 0.48 -0.80 -0.01 0.00 -2.08 0.00 0.00 39.78 37.37 1xk4 n ASN 67 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1xk4 h PHE 68 N -1.17 0.93 -0.43 -2.53 3.57 -2.00 -0.19 116.94 115.13 1xk4 h PHE 68 Ca -0.37 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 60.91 1xk4 h PHE 68 Cb 1.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1xk4 h PHE 68 CO 0.00 0.94 0.15 -0.56 -2.23 0.00 0.00 178.31 176.62 1xk4 h GLN 69 N 0.65 0.61 -0.39 1.11 3.07 -1.97 -1.57 115.11 116.63 1xk4 h GLN 69 Ca 0.11 -0.09 -0.08 0.00 0.09 0.00 0.00 58.65 58.68 1xk4 h GLN 69 Cb 0.64 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1xk4 h GLN 69 CO 0.04 0.52 -0.09 0.93 0.09 0.00 0.00 178.83 180.33 1xk4 h GLU 70 N 0.61 0.75 -1.00 0.06 5.08 -1.79 -2.63 114.58 115.65 1xk4 h GLU 70 Ca 0.15 -0.28 0.25 0.00 -1.00 0.00 0.00 59.36 58.47 1xk4 h GLU 70 Cb 0.15 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 1xk4 h GLU 70 CO -0.01 0.88 0.66 0.35 -1.00 0.00 0.00 179.01 179.89 1xk4 h PHE 71 N 0.55 0.56 0.00 4.33 3.57 -0.38 -1.34 116.94 124.24 1xk4 h PHE 71 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1xk4 h PHE 71 Cb 0.60 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1xk4 h PHE 71 CO 0.05 0.09 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.07 1xk4 h LEU 72 N 0.37 0.00 -0.08 0.59 3.38 -0.92 -0.87 115.31 117.78 1xk4 h LEU 72 Ca 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.51 1xk4 h LEU 72 Cb 1.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1xk4 h LEU 72 CO -0.23 0.07 0.04 0.40 0.09 0.00 0.00 178.44 178.81 1xk4 h ILE 73 N 0.00 1.13 -0.63 1.22 2.04 -1.28 -0.79 117.51 119.20 1xk4 h ILE 73 Ca -0.00 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.57 1xk4 h ILE 73 Cb 0.46 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1xk4 h ILE 73 CO 0.01 0.11 0.25 0.25 0.00 0.00 0.00 178.15 178.77 1xk4 h LEU 74 N -0.01 0.27 -0.74 1.44 5.85 -1.27 -1.77 115.31 119.08 1xk4 h LEU 74 Ca 0.03 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1xk4 h LEU 74 Cb 0.14 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1xk4 h LEU 74 CO -0.00 0.16 0.42 0.58 -0.34 0.00 0.00 178.44 179.25 1xk4 h VAL 75 N 0.44 1.22 -0.20 1.05 2.07 -1.06 0.06 116.25 119.84 1xk4 h VAL 75 Ca 0.32 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1xk4 h VAL 75 Cb 0.38 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1xk4 h VAL 75 CO -0.30 0.24 0.06 0.40 0.02 0.00 0.00 177.57 177.99 1xk4 h ILE 76 N 1.02 1.19 -0.59 4.57 2.04 -0.94 -0.68 117.51 124.12 1xk4 h ILE 76 Ca 0.26 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1xk4 h ILE 76 Cb 0.01 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1xk4 h ILE 76 CO -0.05 0.19 0.16 0.11 0.00 0.00 0.00 178.15 178.56 1xk4 h LYS 77 N 0.14 0.94 -0.47 2.37 1.57 -1.08 -0.29 116.57 119.74 1xk4 h LYS 77 Ca 0.06 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1xk4 h LYS 77 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1xk4 h LYS 77 CO -0.00 0.85 0.22 0.52 -0.57 0.00 0.00 179.45 180.47 1xk4 h MET 78 N 0.85 0.68 -0.16 3.15 2.86 -0.88 -1.04 114.93 120.38 1xk4 h MET 78 Ca 0.19 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1xk4 h MET 78 Cb 0.33 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1xk4 h MET 78 CO -0.00 0.58 0.08 0.78 1.06 0.00 0.00 176.91 179.41 1xk4 h GLY 79 N 0.62 0.25 0.91 8.32 0.00 -0.88 0.06 103.07 112.35 1xk4 h GLY 79 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1xk4 h GLY 79 CO -0.02 0.12 0.24 -2.08 0.00 0.00 0.00 176.54 174.80 1xk4 h VAL 80 N 0.13 1.04 -0.49 4.60 2.07 -1.01 -0.77 116.25 121.82 1xk4 h VAL 80 Ca 0.06 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xk4 h VAL 80 Cb 0.13 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xk4 h VAL 80 CO -0.01 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.94 1xk4 h ALA 81 N 1.18 0.63 -0.44 1.67 0.00 -1.00 -1.93 119.26 119.36 1xk4 h ALA 81 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xk4 h ALA 81 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xk4 h ALA 81 CO -0.07 0.15 0.11 0.00 0.00 0.00 0.00 179.25 179.44 1xk4 h ALA 82 N 1.11 1.36 -0.18 0.00 0.00 -0.78 -1.27 119.26 119.49 1xk4 h ALA 82 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xk4 h ALA 82 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xk4 h ALA 82 CO -0.03 0.46 -0.16 1.25 0.00 0.00 0.00 179.25 180.78 1xk4 h HIS 83 N 0.65 0.50 -0.57 0.00 6.17 -0.91 -0.64 115.15 120.34 1xk4 h HIS 83 Ca 0.15 -0.14 0.11 0.00 0.71 0.00 0.00 60.37 61.19 1xk4 h HIS 83 Cb 0.25 -0.11 -0.09 0.00 2.52 0.00 0.00 27.41 29.98 1xk4 h HIS 83 CO 0.01 0.78 0.09 0.87 0.71 0.00 0.00 177.93 180.39 1xk4 h LYS 84 N 0.07 0.21 -0.57 5.26 1.57 -0.97 -2.44 116.57 119.69 1xk4 h LYS 84 Ca 0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1xk4 h LYS 84 Cb 0.68 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1xk4 h LYS 84 CO 0.04 0.14 0.27 0.87 -0.57 0.00 0.00 179.45 180.19 1xk4 h LYS 85 N 0.22 0.83 0.00 3.15 1.79 -1.03 -2.99 116.57 118.54 1xk4 h LYS 85 Ca 0.30 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1xk4 h LYS 85 Cb 0.45 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1xk4 h LYS 85 CO -0.41 0.69 0.00 -1.13 -1.08 0.00 0.00 179.45 177.52 1xk4 n SER 86 N -4.53 0.29 0.00 0.86 3.41 -0.26 -5.10 113.62 108.28 1xk4 n SER 86 Ca 0.03 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1xk4 n SER 86 Cb 0.13 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1xk4 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88