#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy6 s VAL 4 N 0.00 2.17 -0.14 0.00 1.01 -1.26 -5.09 120.40 117.09 1iy6 s VAL 4 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1iy6 s VAL 4 Cb 0.00 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1iy6 s VAL 4 CO 0.00 0.54 0.18 -0.55 0.00 0.00 0.00 175.10 175.27 1iy6 s SER 5 N 0.82 1.13 -0.39 3.32 0.15 -1.26 -5.08 113.70 112.39 1iy6 s SER 5 Ca -0.07 0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.65 1iy6 s SER 5 Cb -0.15 0.26 0.16 0.00 -1.71 0.00 0.00 66.02 64.58 1iy6 s SER 5 CO -0.02 -0.28 0.29 0.54 1.20 0.00 0.00 173.24 174.97 1iy6 s VAL 6 N 2.29 0.24 -0.94 4.45 0.11 -1.26 -5.05 120.40 120.23 1iy6 s VAL 6 Ca 0.04 -2.24 -0.15 0.00 -2.93 0.00 0.00 61.98 56.70 1iy6 s VAL 6 Cb -0.14 -1.18 0.19 0.00 -1.53 0.00 0.00 36.38 33.72 1iy6 s VAL 6 CO -0.08 -1.13 1.01 1.51 -3.33 0.00 0.00 175.10 173.08 1iy6 s ASP 7 N 0.49 6.81 -0.40 3.54 1.47 -1.26 -4.83 116.67 122.50 1iy6 s ASP 7 Ca 0.27 -2.59 0.12 0.00 1.18 0.00 0.00 52.55 51.52 1iy6 s ASP 7 Cb -0.07 -2.30 0.40 0.00 -0.34 0.00 0.00 42.92 40.61 1iy6 s ASP 7 CO -0.11 -0.74 0.91 0.00 0.68 0.00 0.00 175.17 175.91 1iy6 n SER 9 N -0.05 1.64 -0.78 0.00 3.41 -1.26 -3.15 113.62 113.43 1iy6 n SER 9 Ca 0.22 -2.02 -0.04 0.00 -0.26 0.00 0.00 58.87 56.77 1iy6 n SER 9 Cb 0.68 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1iy6 n SER 9 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iy6 n GLU 10 N 0.14 0.00 -3.24 4.33 -0.58 -1.26 -5.01 120.64 115.02 1iy6 n GLU 10 Ca 0.01 -0.59 -0.26 0.00 -0.42 0.00 0.00 57.16 55.89 1iy6 n GLU 10 Cb 0.34 0.35 -0.06 0.00 -0.57 0.00 0.00 31.44 31.49 1iy6 n GLU 10 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1iy6 n TYR 11 N 0.00 3.12 -2.47 -0.32 4.02 -1.19 -5.04 117.16 115.28 1iy6 n TYR 11 Ca -0.17 -4.02 -0.42 0.00 -0.01 0.00 0.00 57.90 53.28 1iy6 n TYR 11 Cb 0.57 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 39.36 1iy6 n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1iy6 s PRO 12 N -2.63 3.42 -0.33 -0.72 0.04 -1.26 -4.16 135.00 129.36 1iy6 s PRO 12 Ca 0.42 0.41 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 1iy6 s PRO 12 Cb 0.20 -4.07 0.19 0.00 0.04 0.00 0.00 34.50 30.86 1iy6 s PRO 12 CO -0.06 -1.80 0.79 0.21 0.04 0.00 0.00 177.00 176.18 1iy6 s LYS 13 N 5.23 0.46 -0.28 4.56 2.20 -1.26 -5.01 119.74 125.63 1iy6 s LYS 13 Ca 0.49 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 1iy6 s LYS 13 Cb -0.10 0.13 0.32 0.00 -1.51 0.00 0.00 37.83 36.67 1iy6 s LYS 13 CO 0.26 -0.76 1.68 0.00 -0.36 0.00 0.00 175.35 176.16 1iy6 n ALA 15 N -0.18 0.92 -2.45 0.00 0.00 -1.26 -5.04 120.51 112.49 1iy6 n ALA 15 Ca 0.33 -2.56 -0.29 0.00 0.00 0.00 0.00 53.44 50.92 1iy6 n ALA 15 Cb 0.94 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.25 1iy6 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iy6 n THR 17 N 0.74 0.00 0.00 0.00 -1.04 -1.26 -4.83 114.28 107.89 1iy6 n THR 17 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1iy6 n THR 17 Cb 0.53 0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 1iy6 n THR 17 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1iy6 n MET 18 N 0.00 0.00 -2.77 -2.82 2.81 -1.26 -4.90 117.12 108.17 1iy6 n MET 18 Ca -0.22 0.37 -0.32 0.00 -1.81 0.00 0.00 57.70 55.73 1iy6 n MET 18 Cb 0.64 -0.86 -0.05 0.00 -0.71 0.00 0.00 33.22 32.24 1iy6 n MET 18 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1iy6 s GLU 19 N -0.85 3.97 -0.38 0.03 1.03 -1.26 -5.03 118.70 116.21 1iy6 s GLU 19 Ca 0.00 0.80 -0.15 0.00 0.03 0.00 0.00 54.97 55.65 1iy6 s GLU 19 Cb 0.00 -2.28 0.01 0.00 -0.80 0.00 0.00 34.13 31.06 1iy6 s GLU 19 CO 0.00 -0.06 0.30 -0.47 -1.33 0.00 0.00 175.26 173.70 1iy6 s TYR 20 N -2.32 3.23 -0.33 4.83 5.04 -1.26 -4.64 117.35 121.89 1iy6 s TYR 20 Ca 0.56 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 1iy6 s TYR 20 Cb -0.10 -2.60 0.16 0.00 0.35 0.00 0.00 41.96 39.78 1iy6 s TYR 20 CO 0.24 -0.52 0.43 0.50 -1.34 0.00 0.00 175.55 174.86 1iy6 s ARG 21 N 1.77 0.53 -0.56 4.97 6.06 -0.60 -5.01 118.95 126.12 1iy6 s ARG 21 Ca 0.07 -0.22 -0.28 0.00 -2.50 0.00 0.00 55.73 52.80 1iy6 s ARG 21 Cb -0.18 -0.37 0.01 0.00 0.06 0.00 0.00 34.95 34.47 1iy6 s ARG 21 CO 0.11 -1.10 1.42 -1.25 -2.50 0.00 0.00 175.30 171.98 1iy6 s PRO 22 N 2.12 3.29 -0.13 5.12 0.04 -1.26 -2.31 135.00 141.88 1iy6 s PRO 22 Ca 0.13 0.46 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 1iy6 s PRO 22 Cb -0.12 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1iy6 s PRO 22 CO -0.19 -1.95 0.03 -0.51 0.04 0.00 0.00 177.00 174.42 1iy6 s LEU 23 N 6.11 3.72 -1.14 -3.56 1.43 -1.13 0.50 118.68 124.60 1iy6 s LEU 23 Ca 0.53 0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1iy6 s LEU 23 Cb -0.11 -1.90 0.25 0.00 0.03 0.00 0.00 46.19 44.47 1iy6 s LEU 23 CO 0.25 0.29 1.25 0.00 0.23 0.00 0.00 176.35 178.36 1iy6 n GLY 25 N 2.90 -2.31 0.31 0.00 0.00 0.00 -0.91 105.19 105.18 1iy6 n GLY 25 Ca 0.28 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1iy6 n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iy6 h SER 26 N 0.23 0.00 -0.34 1.61 0.87 -1.34 0.44 113.55 115.02 1iy6 h SER 26 Ca -0.42 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.00 1iy6 h SER 26 Cb 1.42 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.30 1iy6 h SER 26 CO 0.46 0.00 0.17 -0.90 -0.53 0.00 0.00 176.83 176.03 1iy6 n ASP 27 N -2.70 3.16 -3.71 6.23 5.75 -1.26 -4.83 116.55 119.18 1iy6 n ASP 27 Ca -0.01 -2.54 -0.28 0.00 -0.01 0.00 0.00 54.79 51.94 1iy6 n ASP 27 Cb 0.49 -0.61 0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1iy6 n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1iy6 n ASN 28 N -0.01 -5.01 -4.59 -1.12 5.15 0.15 -4.96 115.26 104.87 1iy6 n ASN 28 Ca 0.19 -0.64 -0.33 0.00 -0.60 0.00 0.00 54.58 53.20 1iy6 n ASN 28 Cb 0.85 -4.01 -0.11 0.00 -0.53 0.00 0.00 39.78 35.98 1iy6 n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1iy6 s LYS 29 N -6.41 2.65 -0.37 1.20 -0.14 -1.17 -4.90 119.74 110.60 1iy6 s LYS 29 Ca 0.59 -0.64 -0.11 0.00 -1.36 0.00 0.00 55.97 54.45 1iy6 s LYS 29 Cb -0.29 -2.55 0.03 0.00 -1.68 0.00 0.00 37.83 33.34 1iy6 s LYS 29 CO 0.72 0.63 0.21 0.99 -0.76 0.00 0.00 175.35 177.14 1iy6 s THR 30 N -0.92 4.59 0.14 2.17 2.01 -1.25 -0.82 115.64 121.56 1iy6 s THR 30 Ca 0.15 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1iy6 s THR 30 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1iy6 s THR 30 CO 0.05 -0.22 0.35 -0.31 -0.69 0.00 0.00 174.62 173.80 1iy6 s TYR 31 N 1.56 3.48 0.32 4.92 2.02 -0.75 -4.90 117.35 124.00 1iy6 s TYR 31 Ca 0.02 0.48 0.21 0.00 -0.37 0.00 0.00 57.07 57.41 1iy6 s TYR 31 Cb -0.19 -1.95 1.01 0.00 -0.40 0.00 0.00 41.96 40.43 1iy6 s TYR 31 CO 0.07 0.45 1.90 0.78 -1.57 0.00 0.00 175.55 177.18 1iy6 h GLY 32 N 2.75 0.00 -2.78 0.71 0.00 -1.91 -3.00 103.07 98.84 1iy6 h GLY 32 Ca -0.46 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.13 1iy6 h GLY 32 CO 0.73 0.00 0.69 0.54 0.00 0.00 0.00 176.54 178.50 1iy6 s ASN 33 N -6.45 -0.12 0.29 0.19 2.20 -0.98 -1.55 114.94 108.52 1iy6 s ASN 33 Ca -0.02 -0.20 0.20 0.00 -0.94 0.00 0.00 52.86 51.90 1iy6 s ASN 33 Cb 0.13 0.28 1.07 0.00 -2.00 0.00 0.00 41.25 40.72 1iy6 s ASN 33 CO 0.65 -0.51 1.60 1.17 -2.94 0.00 0.00 177.10 177.07 1iy6 n LYS 34 N -0.43 0.13 -0.02 3.55 3.00 -1.26 -0.92 118.16 122.21 1iy6 n LYS 34 Ca -0.07 0.63 -0.09 0.00 -0.00 0.00 0.00 58.31 58.78 1iy6 n LYS 34 Cb 0.62 -1.93 0.08 0.00 0.00 0.00 0.00 35.03 33.80 1iy6 n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iy6 h ASN 36 N 0.51 0.00 0.50 0.00 -0.73 -1.26 -2.58 115.58 112.02 1iy6 h ASN 36 Ca 0.04 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.09 1iy6 h ASN 36 Cb 0.95 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.52 1iy6 h ASN 36 CO 0.09 0.66 -0.54 0.15 -0.37 0.00 0.00 177.43 177.41 1iy6 h PHE 37 N 0.00 0.05 0.00 0.67 3.04 -1.08 -2.05 116.94 117.57 1iy6 h PHE 37 Ca -0.01 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1iy6 h PHE 37 Cb 1.42 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.92 1iy6 h PHE 37 CO 0.00 0.58 -0.12 0.00 -2.02 0.00 0.00 178.31 176.75 1iy6 h ALA 40 N 0.24 1.45 0.01 0.00 0.00 -1.45 -1.32 119.26 118.19 1iy6 h ALA 40 Ca -0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1iy6 h ALA 40 Cb 0.81 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1iy6 h ALA 40 CO 0.01 0.16 -0.88 0.28 0.00 0.00 0.00 179.25 178.82 1iy6 h VAL 41 N 0.00 1.55 0.00 0.00 2.07 -1.41 -1.72 116.25 116.74 1iy6 h VAL 41 Ca -0.00 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.76 1iy6 h VAL 41 Cb 0.29 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1iy6 h VAL 41 CO 0.02 0.80 0.00 0.58 0.02 0.00 0.00 177.57 178.98 1iy6 h VAL 42 N 0.06 0.00 0.00 2.57 2.07 -0.19 -1.56 116.25 119.20 1iy6 h VAL 42 Ca -0.03 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1iy6 h VAL 42 Cb 1.52 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1iy6 h VAL 42 CO 0.13 0.00 -2.02 -0.62 0.02 0.00 0.00 177.57 175.08 1iy6 n GLU 43 N -2.44 0.66 0.00 1.57 1.02 -0.99 -4.22 120.64 116.24 1iy6 n GLU 43 Ca 0.03 -0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.12 1iy6 n GLU 43 Cb 0.35 -1.51 0.08 0.00 -0.02 0.00 0.00 31.44 30.34 1iy6 n GLU 43 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1iy6 n SER 44 N -2.30 1.55 -0.62 1.62 7.64 -0.66 -4.93 113.62 115.92 1iy6 n SER 44 Ca -0.07 -1.22 -0.08 0.00 1.01 0.00 0.00 58.87 58.51 1iy6 n SER 44 Cb 0.62 0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 64.25 1iy6 n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1iy6 n ASN 45 N -0.48 -4.26 0.00 6.43 2.85 -0.63 -2.36 115.26 116.81 1iy6 n ASN 45 Ca 0.09 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 1iy6 n ASN 45 Cb 0.41 -2.48 0.00 0.00 1.24 0.00 0.00 39.78 38.95 1iy6 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iy6 n GLY 46 N -1.61 0.94 0.45 8.20 0.00 -0.94 -4.95 105.19 107.26 1iy6 n GLY 46 Ca -0.08 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1iy6 n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iy6 n THR 47 N -2.15 0.13 -3.78 2.61 -1.04 -0.99 -4.87 114.28 104.19 1iy6 n THR 47 Ca 0.00 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.05 61.53 1iy6 n THR 47 Cb 0.01 0.28 -0.04 0.00 -1.82 0.00 0.00 70.33 68.76 1iy6 n THR 47 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1iy6 s LEU 48 N -1.67 3.53 0.00 -4.42 2.96 -1.26 -5.09 118.68 112.73 1iy6 s LEU 48 Ca 0.33 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1iy6 s LEU 48 Cb 0.18 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1iy6 s LEU 48 CO 0.27 -0.41 0.00 0.35 -1.32 0.00 0.00 176.35 175.24 1iy6 n THR 49 N -1.40 0.00 -4.40 3.68 -2.24 -1.26 -5.02 114.28 103.64 1iy6 n THR 49 Ca -0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1iy6 n THR 49 Cb 0.60 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 1iy6 n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1iy6 s LEU 50 N 0.00 2.52 0.00 3.22 2.96 -1.26 -1.49 118.68 124.63 1iy6 s LEU 50 Ca 0.00 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 1iy6 s LEU 50 Cb 0.00 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 46.01 1iy6 s LEU 50 CO 0.00 -0.25 0.00 -1.20 -1.32 0.00 0.00 176.35 173.58 1iy6 n SER 51 N -0.51 0.00 -3.29 3.68 7.64 -0.09 -3.70 113.62 117.35 1iy6 n SER 51 Ca -0.06 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.73 1iy6 n SER 51 Cb 0.62 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.77 1iy6 n SER 51 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1iy6 s HIS 52 N -1.00 -0.92 -0.90 1.43 5.65 -0.96 -4.99 115.29 113.59 1iy6 s HIS 52 Ca 0.00 -0.37 -0.22 0.00 0.25 0.00 0.00 55.06 54.71 1iy6 s HIS 52 Cb 0.00 -0.09 -0.23 0.00 -1.18 0.00 0.00 32.58 31.08 1iy6 s HIS 52 CO 0.00 -1.06 2.44 0.34 -0.65 0.00 0.00 174.74 175.81 1iy6 n PHE 53 N 4.28 0.56 0.00 3.88 -0.00 -1.26 -2.24 117.46 122.68 1iy6 n PHE 53 Ca 0.11 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.73 1iy6 n PHE 53 Cb 0.50 -1.81 0.00 0.00 -0.00 0.00 0.00 39.48 38.18 1iy6 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1iy6 n GLY 54 N 6.13 2.76 3.75 7.13 0.00 0.18 -4.87 105.19 120.28 1iy6 n GLY 54 Ca 0.60 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1iy6 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iy6 s LYS 55 N -2.01 4.20 0.00 1.61 -2.85 -1.06 -1.85 119.74 117.78 1iy6 s LYS 55 Ca 0.00 2.42 0.21 0.00 -1.00 0.00 0.00 55.97 57.61 1iy6 s LYS 55 Cb 0.00 -3.06 0.17 0.00 -2.06 0.00 0.00 37.83 32.88 1iy6 s LYS 55 CO 0.00 -0.49 1.18 0.00 0.10 0.00 0.00 175.35 176.14