#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ldr h SER 2 N 0.00 -0.28 -2.29 -1.43 0.02 -2.07 -3.43 113.55 104.07 1ldr h SER 2 Ca 0.00 0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 60.40 1ldr h SER 2 Cb 0.00 0.07 0.03 0.00 0.14 0.00 0.00 62.40 62.64 1ldr h SER 2 CO 0.00 -0.06 1.15 0.55 -1.14 0.00 0.00 176.83 177.33 1ldr n VAL 3 N -3.67 0.58 0.00 2.27 3.14 -1.26 -4.81 118.33 114.58 1ldr n VAL 3 Ca -0.04 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1ldr n VAL 3 Cb 0.13 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 30.80 1ldr n VAL 3 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ldr n THR 4 N 5.13 0.03 0.00 1.55 -2.24 -1.26 -5.05 114.28 112.43 1ldr n THR 4 Ca 0.20 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1ldr n THR 4 Cb 0.36 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1ldr n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ldr n LYS 6 N -2.03 0.00 0.02 0.00 4.81 -1.26 -5.07 118.16 114.63 1ldr n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ldr n LYS 6 Cb 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 34.92 1ldr n LYS 6 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ldr n SER 7 N -2.09 -0.34 -0.52 3.14 2.88 -1.26 -4.96 113.62 110.47 1ldr n SER 7 Ca 0.00 0.23 0.10 0.00 -1.33 0.00 0.00 58.87 57.87 1ldr n SER 7 Cb 0.00 0.53 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1ldr n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ldr n GLY 8 N -1.35 0.13 0.00 0.46 0.00 -1.26 -4.97 105.19 98.20 1ldr n GLY 8 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ldr n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ldr n ASP 9 N 0.15 -0.73 -3.32 1.61 8.00 -1.26 -1.39 116.55 119.61 1ldr n ASP 9 Ca 0.09 -0.48 0.02 0.00 0.71 0.00 0.00 54.79 55.13 1ldr n ASP 9 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.50 1ldr n ASP 9 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1ldr s PHE 10 N -0.85 -0.43 0.28 1.24 -0.12 0.25 -4.57 117.98 113.80 1ldr s PHE 10 Ca 0.00 0.74 -0.29 0.00 -0.05 0.00 0.00 56.93 57.33 1ldr s PHE 10 Cb 0.00 0.26 -0.10 0.00 -0.63 0.00 0.00 43.02 42.55 1ldr s PHE 10 CO 0.00 -0.21 1.39 -1.12 -0.05 0.00 0.00 175.22 175.23 1ldr s SER 11 N 2.26 6.68 0.35 1.98 0.01 -1.26 -0.85 113.70 122.87 1ldr s SER 11 Ca -0.01 2.69 0.12 0.00 1.31 0.00 0.00 55.95 60.06 1ldr s SER 11 Cb -0.04 -2.63 0.93 0.00 0.21 0.00 0.00 66.02 64.49 1ldr s SER 11 CO -0.17 -0.65 1.77 0.00 0.41 0.00 0.00 173.24 174.60 1ldr n GLY 13 N -1.39 0.87 0.00 0.00 0.00 -1.26 -3.21 105.19 100.20 1ldr n GLY 13 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ldr n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ldr n GLY 14 N 0.00 1.01 3.75 -0.02 0.00 -1.26 -4.65 105.19 104.02 1ldr n GLY 14 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1ldr n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ldr s ARG 15 N 0.00 4.33 0.23 1.61 1.81 -1.26 -4.91 118.95 120.76 1ldr s ARG 15 Ca 0.00 2.21 -0.06 0.00 -1.72 0.00 0.00 55.73 56.16 1ldr s ARG 15 Cb 0.00 -3.11 0.23 0.00 -0.45 0.00 0.00 34.95 31.61 1ldr s ARG 15 CO 0.00 -0.28 1.78 -0.24 -0.68 0.00 0.00 175.30 175.88 1ldr h VAL 16 N 3.37 1.25 -2.39 3.52 3.04 -2.02 -3.39 116.25 119.62 1ldr h VAL 16 Ca -0.47 -0.85 -0.43 0.00 -1.01 0.00 0.00 66.70 63.94 1ldr h VAL 16 Cb 1.22 0.45 -0.36 0.00 -2.01 0.00 0.00 31.29 30.59 1ldr h VAL 16 CO 0.72 0.34 -0.71 0.21 -1.01 0.00 0.00 177.57 177.12 1ldr s ASN 17 N -6.44 2.40 -0.27 3.17 3.04 -1.26 -5.12 114.94 110.45 1ldr s ASN 17 Ca -0.12 -1.16 -0.27 0.00 0.04 0.00 0.00 52.86 51.35 1ldr s ASN 17 Cb 0.16 0.13 0.17 0.00 -1.54 0.00 0.00 41.25 40.16 1ldr s ASN 17 CO 0.83 -0.39 1.29 -0.60 -3.04 0.00 0.00 177.10 175.19 1ldr s ARG 18 N 2.05 0.21 0.24 0.43 3.52 -1.26 -5.14 118.95 119.00 1ldr s ARG 18 Ca 0.11 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1ldr s ARG 18 Cb -0.16 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 1ldr s ARG 18 CO -0.28 -0.04 0.24 0.00 -0.81 0.00 0.00 175.30 174.40 1ldr s ILE 20 N -3.91 0.03 0.77 0.00 1.01 -0.03 -4.86 121.20 114.22 1ldr s ILE 20 Ca 0.36 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1ldr s ILE 20 Cb 0.04 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1ldr s ILE 20 CO 0.15 -0.14 1.08 -2.16 0.00 0.00 0.00 174.94 173.88 1ldr s PRO 21 N -3.96 2.30 0.35 2.79 0.04 -1.26 0.87 135.00 136.14 1ldr s PRO 21 Ca 0.17 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.08 1ldr s PRO 21 Cb 0.01 -1.93 0.70 0.00 0.04 0.00 0.00 34.50 33.32 1ldr s PRO 21 CO 0.02 -1.52 1.94 -0.56 0.04 0.00 0.00 177.00 176.93 1ldr h GLN 22 N -1.02 0.78 -0.82 4.56 -0.00 -1.47 -1.42 115.11 115.73 1ldr h GLN 22 Ca -0.46 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.12 1ldr h GLN 22 Cb 1.25 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.48 28.51 1ldr h GLN 22 CO 0.57 0.52 0.40 0.35 -0.00 0.00 0.00 178.83 180.67 1ldr h PHE 23 N 0.81 1.16 0.00 0.06 3.57 -1.92 -1.92 116.94 118.70 1ldr h PHE 23 Ca 0.34 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1ldr h PHE 23 Cb 0.28 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ldr h PHE 23 CO -0.00 0.83 0.00 0.91 -2.23 0.00 0.00 178.31 177.82 1ldr n TRP 24 N -4.31 0.00 -2.31 0.41 7.02 -0.55 -4.58 117.44 113.11 1ldr n TRP 24 Ca 0.08 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.16 1ldr n TRP 24 Cb 0.13 -0.34 -0.03 0.00 -2.42 0.00 0.00 31.31 28.65 1ldr n TRP 24 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1ldr s ARG 25 N -2.68 4.37 0.00 -0.99 6.06 -0.72 0.13 118.95 125.11 1ldr s ARG 25 Ca 0.20 1.93 0.00 0.00 -2.50 0.00 0.00 55.73 55.36 1ldr s ARG 25 Cb 0.16 -2.98 0.00 0.00 0.06 0.00 0.00 34.95 32.19 1ldr s ARG 25 CO 0.39 -0.08 0.00 0.00 -2.50 0.00 0.00 175.30 173.12 1ldr n ASP 27 N 2.84 0.00 0.00 0.00 8.00 -1.19 -4.25 116.55 121.96 1ldr n ASP 27 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ldr n ASP 27 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1ldr n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ldr n GLY 28 N 2.44 1.76 7.00 0.44 0.00 0.34 -4.00 105.19 113.17 1ldr n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ldr n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ldr n GLN 29 N -2.00 0.00 -2.94 1.61 6.02 -1.26 -2.43 117.38 116.38 1ldr n GLN 29 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ldr n GLN 29 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1ldr n GLN 29 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ldr n VAL 30 N 0.00 -0.23 -0.82 5.09 0.31 -1.26 -4.93 118.33 116.50 1ldr n VAL 30 Ca 0.00 -2.72 -0.07 0.00 -0.01 0.00 0.00 64.34 61.54 1ldr n VAL 30 Cb 0.00 0.23 0.26 0.00 -0.91 0.00 0.00 33.84 33.43 1ldr n VAL 30 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ldr n ASP 31 N 1.09 4.45 -0.14 4.52 2.03 -1.02 -4.10 116.55 123.38 1ldr n ASP 31 Ca 0.14 -3.11 0.01 0.00 0.52 0.00 0.00 54.79 52.35 1ldr n ASP 31 Cb 0.62 -0.73 0.01 0.00 -0.72 0.00 0.00 41.12 40.30 1ldr n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ldr n ASP 33 N -0.14 -5.16 -1.83 0.00 5.75 -1.26 0.19 116.55 114.11 1ldr n ASP 33 Ca 0.01 -0.27 -0.20 0.00 -0.01 0.00 0.00 54.79 54.32 1ldr n ASP 33 Cb 0.53 -1.53 -0.06 0.00 -1.03 0.00 0.00 41.12 39.03 1ldr n ASP 33 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ldr n ASN 34 N -0.47 -5.33 0.00 -1.12 2.85 -1.26 -4.93 115.26 105.00 1ldr n ASN 34 Ca -0.12 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1ldr n ASN 34 Cb 0.66 -4.64 0.00 0.00 1.24 0.00 0.00 39.78 37.04 1ldr n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ldr n GLY 35 N -0.56 0.97 0.78 8.20 0.00 0.13 -5.03 105.19 109.68 1ldr n GLY 35 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 1ldr n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ldr n SER 36 N 0.00 -0.25 0.24 1.61 3.41 -1.26 -4.88 113.62 112.49 1ldr n SER 36 Ca 0.00 -0.58 0.18 0.00 -0.26 0.00 0.00 58.87 58.21 1ldr n SER 36 Cb 0.00 0.08 0.86 0.00 -0.26 0.00 0.00 64.21 64.89 1ldr n SER 36 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1ldr h ASP 37 N 0.03 0.00 -1.07 4.04 3.04 -1.87 -1.72 116.42 118.87 1ldr h ASP 37 Ca -0.13 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.18 1ldr h ASP 37 Cb 0.76 0.00 -0.42 0.00 -1.04 0.00 0.00 39.33 38.64 1ldr h ASP 37 CO -0.06 0.00 -0.91 -1.84 -2.04 0.00 0.00 179.24 174.38 1ldr n GLU 38 N -3.40 2.72 -0.04 4.15 0.28 -1.26 -1.83 120.64 121.27 1ldr n GLU 38 Ca 0.01 -4.01 -0.06 0.00 -0.16 0.00 0.00 57.16 52.94 1ldr n GLU 38 Cb 0.38 -1.94 -0.03 0.00 1.43 0.00 0.00 31.44 31.27 1ldr n GLU 38 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ldr n GLN 39 N -0.46 0.18 0.01 3.44 0.00 -0.65 -4.72 117.38 115.19 1ldr n GLN 39 Ca 0.29 0.05 -0.19 0.00 -0.00 0.00 0.00 57.00 57.16 1ldr n GLN 39 Cb 0.79 -1.05 -0.09 0.00 0.00 0.00 0.00 30.24 29.89 1ldr n GLN 39 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1ldr h GLY 40 N 0.34 0.75 0.98 1.69 0.00 -1.86 -3.53 103.07 101.44 1ldr h GLY 40 Ca -0.18 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 45.95 1ldr h GLY 40 CO -0.05 1.07 0.00 0.00 0.00 0.00 0.00 176.54 177.55