#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aap n ARG 2 N 0.00 0.00 -0.16 7.34 0.00 -1.26 -2.14 116.66 120.44 1aap n ARG 2 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 1aap n ARG 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 1aap n ARG 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1aap h GLU 3 N 0.00 -0.15 0.00 -0.14 4.81 -2.02 -1.54 114.58 115.55 1aap h GLU 3 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1aap h GLU 3 Cb 0.00 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1aap h GLU 3 CO 0.00 -0.10 -0.04 -0.39 -0.73 0.00 0.00 179.01 177.75 1aap h VAL 4 N -0.15 0.20 0.00 0.32 -1.51 -1.85 -2.88 116.25 110.37 1aap h VAL 4 Ca 0.22 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1aap h VAL 4 Cb 0.50 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1aap h VAL 4 CO -0.58 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 175.80 1aap n SER 6 N -1.59 3.13 -4.83 0.00 3.41 -1.09 -4.50 113.62 108.15 1aap n SER 6 Ca 0.03 -1.91 -0.34 0.00 -0.26 0.00 0.00 58.87 56.39 1aap n SER 6 Cb 0.14 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 1aap n SER 6 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aap s GLU 7 N -1.30 4.15 0.55 4.33 2.02 -1.17 -5.02 118.70 122.26 1aap s GLU 7 Ca 0.32 0.85 -0.20 0.00 0.02 0.00 0.00 54.97 55.96 1aap s GLU 7 Cb 0.19 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.85 1aap s GLU 7 CO 0.26 0.18 1.16 -0.65 0.02 0.00 0.00 175.26 176.23 1aap s GLN 8 N -2.73 3.26 0.19 1.61 -0.21 -1.26 -4.87 119.66 115.66 1aap s GLN 8 Ca 0.53 1.71 -0.32 0.00 0.02 0.00 0.00 55.36 57.30 1aap s GLN 8 Cb -0.12 -2.02 -0.12 0.00 1.00 0.00 0.00 33.01 31.75 1aap s GLN 8 CO 0.18 -0.95 1.74 0.00 -2.12 0.00 0.00 175.29 174.14 1aap n ALA 9 N -1.32 2.65 -3.99 6.09 0.00 -1.26 -4.90 120.51 117.78 1aap n ALA 9 Ca 0.12 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 1aap n ALA 9 Cb 0.50 -2.53 -0.15 0.00 0.00 0.00 0.00 19.45 17.27 1aap n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aap s GLU 10 N 1.47 1.79 0.32 0.00 2.12 -1.26 -4.99 118.70 118.15 1aap s GLU 10 Ca 0.77 -1.21 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1aap s GLU 10 Cb -0.51 -2.74 0.54 0.00 0.26 0.00 0.00 34.13 31.69 1aap s GLU 10 CO 0.33 -0.64 1.85 1.15 -0.54 0.00 0.00 175.26 177.42 1aap h THR 11 N 6.69 1.21 0.00 -1.70 2.02 -1.95 -3.41 112.91 115.78 1aap h THR 11 Ca -0.17 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1aap h THR 11 Cb 1.05 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1aap h THR 11 CO 0.44 0.29 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1aap n GLY 12 N -0.83 -1.21 0.07 2.16 0.00 -1.26 -0.66 105.19 103.45 1aap n GLY 12 Ca 0.02 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.57 1aap n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aap n PRO 13 N -1.32 0.44 -2.19 1.61 -0.04 -1.26 -4.71 135.00 127.54 1aap n PRO 13 Ca 0.00 -0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.05 1aap n PRO 13 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 1aap n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aap n ARG 15 N -2.83 3.04 -1.85 0.00 1.74 -1.19 -4.44 116.66 111.12 1aap n ARG 15 Ca 0.06 -2.70 -0.29 0.00 -0.77 0.00 0.00 57.85 54.15 1aap n ARG 15 Cb 0.59 -1.65 0.08 0.00 -1.02 0.00 0.00 32.46 30.46 1aap n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aap s ALA 16 N -1.26 2.64 -0.54 7.54 0.00 0.41 -5.02 121.76 125.54 1aap s ALA 16 Ca 0.48 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1aap s ALA 16 Cb 0.27 -2.99 0.24 0.00 0.00 0.00 0.00 23.12 20.64 1aap s ALA 16 CO 0.30 -1.56 0.64 -1.33 0.00 0.00 0.00 175.76 173.80 1aap n MET 17 N -3.26 1.72 -3.12 0.00 2.81 -1.26 -3.84 117.12 110.18 1aap n MET 17 Ca 0.08 -4.06 -0.40 0.00 -1.81 0.00 0.00 57.70 51.50 1aap n MET 17 Cb 0.59 -1.84 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 1aap n MET 17 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1aap s ILE 18 N -1.85 5.00 -0.28 2.02 1.01 -0.70 -4.86 121.20 121.54 1aap s ILE 18 Ca 0.37 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.87 1aap s ILE 18 Cb 0.15 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1aap s ILE 18 CO -0.06 0.05 1.17 -0.55 0.00 0.00 0.00 174.94 175.56 1aap s SER 19 N 1.39 6.87 0.33 3.58 0.15 -1.26 0.34 113.70 125.11 1aap s SER 19 Ca 0.27 1.25 0.03 0.00 0.70 0.00 0.00 55.95 58.20 1aap s SER 19 Cb -0.16 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1aap s SER 19 CO 0.09 -0.90 0.08 -0.13 1.20 0.00 0.00 173.24 173.58 1aap s ARG 20 N 3.73 1.68 0.02 5.44 1.81 -0.42 -4.89 118.95 126.33 1aap s ARG 20 Ca 0.50 -1.95 0.07 0.00 -1.72 0.00 0.00 55.73 52.63 1aap s ARG 20 Cb -0.16 -0.74 -0.02 0.00 -0.45 0.00 0.00 34.95 33.58 1aap s ARG 20 CO 0.17 -0.26 -0.21 -1.58 -0.68 0.00 0.00 175.30 172.73 1aap s TRP 21 N -3.34 1.86 0.06 -0.53 0.52 -0.11 -1.63 118.94 115.77 1aap s TRP 21 Ca 0.34 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 56.12 1aap s TRP 21 Cb 0.07 -1.14 -0.03 0.00 -1.15 0.00 0.00 33.47 31.22 1aap s TRP 21 CO 0.15 0.05 -0.09 1.52 0.02 0.00 0.00 176.95 178.60 1aap s TYR 22 N -0.68 0.81 -0.11 -1.98 -0.85 -0.20 -0.87 117.35 113.47 1aap s TYR 22 Ca 0.08 -0.55 -0.25 0.00 -0.52 0.00 0.00 57.07 55.83 1aap s TYR 22 Cb -0.09 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 1aap s TYR 22 CO 0.01 -0.06 0.81 0.12 -1.52 0.00 0.00 175.55 174.91 1aap s PHE 23 N -1.67 3.51 -0.39 -3.49 2.19 -1.26 -0.87 117.98 116.00 1aap s PHE 23 Ca -0.05 1.32 -0.14 0.00 0.33 0.00 0.00 56.93 58.39 1aap s PHE 23 Cb -0.08 -2.96 0.01 0.00 -1.31 0.00 0.00 43.02 38.68 1aap s PHE 23 CO 0.00 -0.09 0.27 0.34 1.83 0.00 0.00 175.22 177.57 1aap s ASP 24 N 1.01 6.04 0.39 6.13 2.15 -0.08 -4.73 116.67 127.57 1aap s ASP 24 Ca 0.40 -0.80 0.14 0.00 0.43 0.00 0.00 52.55 52.72 1aap s ASP 24 Cb -0.18 -2.13 0.79 0.00 -0.30 0.00 0.00 42.92 41.10 1aap s ASP 24 CO 0.17 -0.39 1.85 -0.37 -0.17 0.00 0.00 175.17 176.26 1aap h VAL 25 N 5.63 1.18 -0.06 1.11 -1.51 -1.84 0.27 116.25 121.04 1aap h VAL 25 Ca -0.28 -1.20 -0.16 0.00 -1.23 0.00 0.00 66.70 63.83 1aap h VAL 25 Cb 1.13 1.66 0.01 0.00 -2.13 0.00 0.00 31.29 31.96 1aap h VAL 25 CO 0.70 0.34 -0.61 0.74 -1.23 0.00 0.00 177.57 177.51 1aap h THR 26 N 0.00 1.38 0.00 7.19 2.02 -1.94 -3.28 112.91 118.28 1aap h THR 26 Ca -0.00 -1.97 -0.17 0.00 0.77 0.00 0.00 66.41 65.03 1aap h THR 26 Cb 0.63 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1aap h THR 26 CO 0.04 0.59 -0.82 -0.33 0.37 0.00 0.00 175.52 175.37 1aap h GLU 27 N 0.08 0.00 -0.39 6.66 5.08 -1.98 -3.47 114.58 120.55 1aap h GLU 27 Ca -0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1aap h GLU 27 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1aap h GLU 27 CO 0.12 0.82 -0.09 0.41 -1.00 0.00 0.00 179.01 179.27 1aap n GLY 28 N 1.10 0.43 3.79 -3.84 0.00 0.92 -5.01 105.19 102.59 1aap n GLY 28 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1aap n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aap s LYS 29 N -3.32 2.14 0.33 1.61 -2.85 -0.95 -4.99 119.74 111.71 1aap s LYS 29 Ca 0.00 -1.39 -0.21 0.00 -1.00 0.00 0.00 55.97 53.37 1aap s LYS 29 Cb 0.00 0.61 -0.10 0.00 -2.06 0.00 0.00 37.83 36.28 1aap s LYS 29 CO 0.00 -0.99 0.86 0.00 0.10 0.00 0.00 175.35 175.32 1aap s ALA 31 N -1.81 0.94 0.56 0.00 0.00 -0.05 -4.90 121.76 116.50 1aap s ALA 31 Ca 0.52 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1aap s ALA 31 Cb -0.14 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1aap s ALA 31 CO 0.19 -0.15 0.91 -1.25 0.00 0.00 0.00 175.76 175.46 1aap s PRO 32 N -3.18 3.51 0.14 0.00 0.04 -1.26 -1.03 135.00 133.22 1aap s PRO 32 Ca 0.06 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.31 1aap s PRO 32 Cb 0.01 -2.22 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1aap s PRO 32 CO -0.03 -0.43 0.66 -0.59 0.04 0.00 0.00 177.00 176.65 1aap s PHE 33 N -2.97 -0.48 -0.30 0.56 -0.12 -0.65 -4.87 117.98 109.14 1aap s PHE 33 Ca 0.52 0.27 -0.12 0.00 -0.05 0.00 0.00 56.93 57.54 1aap s PHE 33 Cb -0.11 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1aap s PHE 33 CO 0.49 -0.83 0.25 -0.06 -0.05 0.00 0.00 175.22 175.02 1aap s PHE 34 N -3.66 3.22 -0.11 3.49 0.08 -1.26 -1.30 117.98 118.45 1aap s PHE 34 Ca 0.02 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.00 1aap s PHE 34 Cb -0.01 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 1aap s PHE 34 CO -0.11 -0.25 0.30 -0.47 -0.10 0.00 0.00 175.22 174.59 1aap s TYR 35 N 1.82 3.56 0.26 0.36 5.04 0.15 -4.48 117.35 124.06 1aap s TYR 35 Ca 0.08 0.70 0.30 0.00 -2.44 0.00 0.00 57.07 55.71 1aap s TYR 35 Cb -0.16 -2.25 1.34 0.00 0.35 0.00 0.00 41.96 41.24 1aap s TYR 35 CO 0.11 0.45 1.99 0.78 -1.34 0.00 0.00 175.55 177.54 1aap h GLY 36 N 5.80 0.00 0.00 8.97 0.00 -0.99 -1.86 103.07 114.99 1aap h GLY 36 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1aap h GLY 36 CO 0.68 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.83 1aap n GLY 37 N -0.24 2.21 3.16 4.60 0.00 -1.26 -0.44 105.19 113.22 1aap n GLY 37 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1aap n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aap n GLY 39 N 0.09 1.27 7.00 0.00 0.00 -1.26 -4.10 105.19 108.18 1aap n GLY 39 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1aap n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aap n GLY 40 N 0.00 -1.50 0.00 -0.02 0.00 -1.26 -4.96 105.19 97.45 1aap n GLY 40 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1aap n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aap n ASN 41 N -0.14 0.42 0.16 1.61 0.23 -1.26 -5.04 115.26 111.24 1aap n ASN 41 Ca 0.00 -0.50 0.13 0.00 -0.53 0.00 0.00 54.58 53.68 1aap n ASN 41 Cb 0.00 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.10 1aap n ASN 41 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1aap h ARG 42 N 0.00 0.00 -3.53 -3.83 3.08 -1.94 -3.35 114.38 104.80 1aap h ARG 42 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.31 1aap h ARG 42 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 1aap h ARG 42 CO 0.00 0.00 2.32 -1.71 -1.07 0.00 0.00 179.97 179.51 1aap n ASN 43 N -2.54 5.08 -3.19 7.04 5.15 -1.26 -4.71 115.26 120.82 1aap n ASN 43 Ca 0.04 -3.05 0.01 0.00 -0.60 0.00 0.00 54.58 50.98 1aap n ASN 43 Cb 0.40 -1.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.12 1aap n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1aap s ASN 44 N 1.32 -1.05 0.02 1.20 3.84 -1.25 -4.51 114.94 114.50 1aap s ASN 44 Ca 0.42 0.31 0.08 0.00 0.21 0.00 0.00 52.86 53.88 1aap s ASN 44 Cb 0.11 1.84 -0.03 0.00 -0.55 0.00 0.00 41.25 42.62 1aap s ASN 44 CO -0.02 -0.30 -0.24 -0.36 -2.79 0.00 0.00 177.10 173.39 1aap s PHE 45 N 2.76 2.39 0.29 0.43 0.40 -0.05 -4.94 117.98 119.27 1aap s PHE 45 Ca 0.14 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1aap s PHE 45 Cb -0.12 -1.46 0.42 0.00 0.51 0.00 0.00 43.02 42.36 1aap s PHE 45 CO -0.24 0.09 1.92 -0.44 0.70 0.00 0.00 175.22 177.25 1aap h ASP 46 N 5.03 0.91 -4.57 1.36 3.32 -1.91 -0.26 116.42 120.29 1aap h ASP 46 Ca -0.46 -0.07 -0.26 0.00 0.02 0.00 0.00 57.03 56.27 1aap h ASP 46 Cb 1.14 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 1aap h ASP 46 CO 0.46 0.73 -0.68 0.42 -1.72 0.00 0.00 179.24 178.45 1aap s THR 47 N -5.70 0.67 0.16 0.35 -4.23 -1.26 -4.70 115.64 100.92 1aap s THR 47 Ca -0.11 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 1aap s THR 47 Cb 0.17 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 72.10 1aap s THR 47 CO 0.80 -0.62 1.71 -0.08 -0.54 0.00 0.00 174.62 175.89 1aap h GLU 48 N 2.80 0.76 -0.35 3.99 4.81 -1.96 -2.38 114.58 122.25 1aap h GLU 48 Ca -0.36 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1aap h GLU 48 Cb 1.19 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1aap h GLU 48 CO 0.63 0.66 0.12 1.05 -0.73 0.00 0.00 179.01 180.75 1aap h GLU 49 N 0.68 0.49 -0.11 1.92 4.11 -1.98 -0.21 114.58 119.49 1aap h GLU 49 Ca 0.17 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 1aap h GLU 49 Cb 0.18 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1aap h GLU 49 CO -0.02 0.43 -0.04 -0.92 0.07 0.00 0.00 179.01 178.53 1aap h TYR 50 N 0.49 0.26 -0.33 2.06 3.20 -1.93 0.31 116.97 121.03 1aap h TYR 50 Ca 0.12 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1aap h TYR 50 Cb 0.13 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 1aap h TYR 50 CO 0.00 0.56 -0.03 0.00 -1.64 0.00 0.00 178.16 177.06 1aap h MET 52 N 0.06 0.57 -0.62 0.00 2.86 -0.88 0.21 114.93 117.14 1aap h MET 52 Ca 0.16 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1aap h MET 52 Cb 0.23 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1aap h MET 52 CO -0.29 0.74 0.40 0.00 1.06 0.00 0.00 176.91 178.81 1aap h ALA 53 N 1.28 1.54 0.04 6.32 0.00 0.38 -0.85 119.26 127.98 1aap h ALA 53 Ca 0.08 -0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.56 1aap h ALA 53 Cb 0.62 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1aap h ALA 53 CO 0.04 0.42 -2.29 0.28 0.00 0.00 0.00 179.25 177.70 1aap n VAL 54 N -4.43 1.60 -0.09 0.00 0.31 -0.73 -4.71 118.33 110.28 1aap n VAL 54 Ca 0.06 -0.58 -0.11 0.00 -0.01 0.00 0.00 64.34 63.70 1aap n VAL 54 Cb 0.05 -1.56 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 1aap n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51