#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c5m n SER 2 N -0.69 0.00 0.00 0.00 7.64 -1.26 0.14 113.62 119.45 1c5m n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1c5m n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c5m n SER 2 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1c5m n LEU 3 N -2.41 0.00 -2.73 -3.43 7.94 -1.24 -1.86 117.00 113.27 1c5m n LEU 3 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1c5m n LEU 3 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 1c5m n LEU 3 CO 0.00 0.00 0.09 0.47 -1.11 0.00 0.00 177.39 176.84 1c5m n ASP 4 N -1.12 0.75 -3.86 1.96 8.00 -0.92 -4.94 116.55 116.42 1c5m n ASP 4 Ca 0.00 -2.36 -0.28 0.00 0.71 0.00 0.00 54.79 52.85 1c5m n ASP 4 Cb 0.00 -0.18 0.03 0.00 -0.02 0.00 0.00 41.12 40.95 1c5m n ASP 4 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c5m n ASN 5 N -0.50 -4.25 0.00 -2.24 5.15 0.37 -1.59 115.26 112.20 1c5m n ASN 5 Ca 0.04 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 1c5m n ASN 5 Cb 0.82 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 36.10 1c5m n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1c5m n GLY 6 N -1.69 1.35 0.00 8.20 0.00 0.97 -2.06 105.19 111.95 1c5m n GLY 6 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1c5m n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c5m n ASP 7 N 2.50 0.00 -4.82 1.61 9.92 -0.62 -4.88 116.55 120.26 1c5m n ASP 7 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 1c5m n ASP 7 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1c5m n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c5m h ASP 9 N 0.11 0.06 0.00 0.00 5.19 -1.57 -3.47 116.42 116.73 1c5m h ASP 9 Ca -0.46 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1c5m h ASP 9 Cb 1.21 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1c5m h ASP 9 CO 0.58 1.05 0.00 0.00 -3.12 0.00 0.00 179.24 177.75 1c5m n GLN 10 N -3.36 0.00 -2.05 3.56 6.02 -1.26 -5.06 117.38 115.23 1c5m n GLN 10 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.58 1c5m n GLN 10 Cb 0.96 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.22 1c5m n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1c5m s PHE 11 N 2.78 2.74 0.07 1.08 0.08 -1.15 -4.89 117.98 118.68 1c5m s PHE 11 Ca 0.00 1.43 0.06 0.00 0.12 0.00 0.00 56.93 58.54 1c5m s PHE 11 Cb 0.00 -3.63 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1c5m s PHE 11 CO 0.00 -2.11 -0.17 0.00 -0.10 0.00 0.00 175.22 172.84 1c5m s HIS 13 N -1.07 0.19 -0.06 0.00 3.76 -0.63 -4.98 115.29 112.49 1c5m s HIS 13 Ca 0.02 -0.63 0.05 0.00 -0.15 0.00 0.00 55.06 54.35 1c5m s HIS 13 Cb -0.09 -0.08 -0.00 0.00 1.11 0.00 0.00 32.58 33.51 1c5m s HIS 13 CO 0.02 -0.54 -0.21 -1.21 -0.85 0.00 0.00 174.74 171.96 1c5m s GLU 14 N -3.87 2.31 -0.11 1.40 0.41 -1.26 -1.03 118.70 116.54 1c5m s GLU 14 Ca 0.06 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.56 1c5m s GLU 14 Cb 0.05 -1.91 0.10 0.00 -1.78 0.00 0.00 34.13 30.59 1c5m s GLU 14 CO -0.10 0.26 0.83 -2.00 -0.49 0.00 0.00 175.26 173.75 1c5m s GLU 15 N 0.08 0.84 -1.02 1.61 2.12 -0.28 -4.94 118.70 117.11 1c5m s GLU 15 Ca -0.08 0.26 -0.26 0.00 0.36 0.00 0.00 54.97 55.25 1c5m s GLU 15 Cb -0.14 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.68 1c5m s GLU 15 CO 0.04 -0.25 0.49 0.94 -0.54 0.00 0.00 175.26 175.95 1c5m n GLN 16 N 0.96 -0.41 -0.56 4.30 7.27 -1.26 -0.61 117.38 127.08 1c5m n GLN 16 Ca -0.15 -0.05 0.00 0.00 0.07 0.00 0.00 57.00 56.87 1c5m n GLN 16 Cb 0.57 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1c5m n GLN 16 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1c5m n ASN 17 N -1.62 -3.22 -4.70 1.69 4.05 -1.26 -4.92 115.26 105.29 1c5m n ASN 17 Ca -0.11 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.62 1c5m n ASN 17 Cb 0.47 -2.17 -0.09 0.00 1.23 0.00 0.00 39.78 39.21 1c5m n ASN 17 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1c5m s SER 18 N -1.15 4.04 -0.20 1.20 0.01 0.22 -5.12 113.70 112.70 1c5m s SER 18 Ca 0.00 -1.51 -0.04 0.00 1.31 0.00 0.00 55.95 55.71 1c5m s SER 18 Cb 0.00 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1c5m s SER 18 CO 0.00 -0.67 -0.02 -0.69 0.41 0.00 0.00 173.24 172.26 1c5m s VAL 19 N -2.79 3.72 -0.13 3.43 1.01 -1.26 -1.13 120.40 123.24 1c5m s VAL 19 Ca 0.20 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1c5m s VAL 19 Cb 0.05 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1c5m s VAL 19 CO 0.10 0.44 -0.20 0.54 0.00 0.00 0.00 175.10 175.99 1c5m s VAL 20 N 1.04 1.88 0.27 2.92 0.11 -0.20 -4.95 120.40 121.47 1c5m s VAL 20 Ca 0.01 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1c5m s VAL 20 Cb -0.14 -1.68 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1c5m s VAL 20 CO 0.01 0.51 0.42 0.00 -3.33 0.00 0.00 175.10 172.72 1c5m s SER 22 N -3.97 0.79 0.31 0.00 1.04 -0.47 -4.98 113.70 106.42 1c5m s SER 22 Ca 0.36 -1.50 0.03 0.00 0.48 0.00 0.00 55.95 55.32 1c5m s SER 22 Cb -0.09 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 1c5m s SER 22 CO 0.31 -1.01 0.07 0.00 0.98 0.00 0.00 173.24 173.59 1c5m n ALA 24 N -0.62 -3.14 -2.06 0.00 0.00 -1.26 -4.91 120.51 108.51 1c5m n ALA 24 Ca -0.02 -1.53 -0.41 0.00 0.00 0.00 0.00 53.44 51.49 1c5m n ALA 24 Cb 0.66 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1c5m n ALA 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1c5m s ARG 25 N -5.34 4.69 0.00 0.00 3.52 -1.26 -3.12 118.95 117.45 1c5m s ARG 25 Ca 0.67 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 1c5m s ARG 25 Cb -0.06 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1c5m s ARG 25 CO 0.51 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 1c5m n GLY 26 N 1.96 0.61 3.15 8.12 0.00 -1.26 -4.64 105.19 113.13 1c5m n GLY 26 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1c5m n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c5m s TYR 27 N -2.00 0.99 0.14 1.61 1.51 -1.18 -1.74 117.35 116.67 1c5m s TYR 27 Ca 0.00 -0.58 0.09 0.00 -1.01 0.00 0.00 57.07 55.57 1c5m s TYR 27 Cb 0.00 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1c5m s TYR 27 CO 0.00 -0.01 -0.15 0.99 -1.11 0.00 0.00 175.55 175.26 1c5m s THR 28 N -1.95 2.97 0.33 -0.71 2.01 0.23 -4.71 115.64 113.82 1c5m s THR 28 Ca -0.00 -1.55 -0.26 0.00 0.31 0.00 0.00 61.69 60.19 1c5m s THR 28 Cb -0.06 -2.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.96 1c5m s THR 28 CO 0.00 0.03 1.02 -0.22 -0.69 0.00 0.00 174.62 174.77 1c5m s LEU 29 N -2.37 4.35 0.57 4.42 2.96 -1.26 -0.26 118.68 127.08 1c5m s LEU 29 Ca 0.20 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 1c5m s LEU 29 Cb -0.10 -3.95 0.04 0.00 0.50 0.00 0.00 46.19 42.68 1c5m s LEU 29 CO 0.12 -0.22 0.80 0.00 -1.32 0.00 0.00 176.35 175.73 1c5m s ALA 30 N -1.48 3.80 0.18 5.97 0.00 0.49 -4.82 121.76 125.91 1c5m s ALA 30 Ca 0.51 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 1c5m s ALA 30 Cb -0.24 -2.15 0.10 0.00 0.00 0.00 0.00 23.12 20.84 1c5m s ALA 30 CO 0.30 -0.81 1.57 -0.44 0.00 0.00 0.00 175.76 176.39 1c5m h ASP 31 N -0.01 -1.34 0.13 0.00 3.32 -1.95 0.69 116.42 117.27 1c5m h ASP 31 Ca -0.42 0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1c5m h ASP 31 Cb 1.30 0.64 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1c5m h ASP 31 CO 0.53 -0.31 0.00 -0.55 -1.72 0.00 0.00 179.24 177.19 1c5m h ASN 32 N -0.17 0.00 0.00 6.45 -1.07 -1.95 -3.45 115.58 115.40 1c5m h ASN 32 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.59 1c5m h ASN 32 Cb 0.56 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 1c5m h ASN 32 CO -0.72 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.39 1c5m n GLY 33 N -1.06 0.59 0.30 9.14 0.00 0.24 -4.89 105.19 109.50 1c5m n GLY 33 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1c5m n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c5m n LYS 34 N -2.68 0.00 -2.35 1.61 5.02 -1.26 -4.49 118.16 114.01 1c5m n LYS 34 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1c5m n LYS 34 Cb 0.00 -0.59 0.02 0.00 -0.02 0.00 0.00 35.03 34.44 1c5m n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c5m s ALA 35 N -1.49 3.26 -0.04 7.82 0.00 -1.26 -1.44 121.76 128.62 1c5m s ALA 35 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1c5m s ALA 35 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1c5m s ALA 35 CO 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 175.76 174.79 1c5m s ILE 37 N -0.37 3.91 1.03 0.00 -1.09 0.64 -4.86 121.20 120.46 1c5m s ILE 37 Ca 0.03 -0.36 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 1c5m s ILE 37 Cb -0.11 -2.70 0.06 0.00 -1.58 0.00 0.00 42.46 38.12 1c5m s ILE 37 CO 0.01 0.50 0.14 -2.65 -1.23 0.00 0.00 174.94 171.71 1c5m n PRO 38 N 3.39 -0.89 -0.01 2.79 -0.02 -1.26 -0.60 135.00 138.40 1c5m n PRO 38 Ca -0.17 -0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.07 1c5m n PRO 38 Cb 0.53 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1c5m n PRO 38 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1c5m n THR 39 N -3.95 0.09 -4.30 3.45 -1.04 -0.71 -4.63 114.28 103.19 1c5m n THR 39 Ca 0.03 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.80 1c5m n THR 39 Cb 0.58 -0.83 -0.07 0.00 -1.82 0.00 0.00 70.33 68.19 1c5m n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1c5m n GLY 40 N 3.09 3.03 0.35 3.41 0.00 -1.26 -5.05 105.19 108.75 1c5m n GLY 40 Ca -0.02 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 1c5m n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c5m h PRO 41 N 0.00 1.15 -3.75 1.61 0.13 -1.98 -3.36 132.00 125.80 1c5m h PRO 41 Ca -0.23 -0.07 -0.69 0.00 -0.87 0.00 0.00 66.00 64.14 1c5m h PRO 41 Cb 1.12 -0.26 -0.36 0.00 0.13 0.00 0.00 31.00 31.63 1c5m h PRO 41 CO 0.34 0.76 -0.44 0.71 -0.23 0.00 0.00 178.00 179.15 1c5m s TYR 42 N -6.11 3.42 0.00 1.56 2.02 -1.26 -5.09 117.35 111.90 1c5m s TYR 42 Ca -0.13 -2.72 0.00 0.00 -0.37 0.00 0.00 57.07 53.85 1c5m s TYR 42 Cb 0.17 -3.16 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 1c5m s TYR 42 CO 0.80 -0.86 0.00 -2.30 -1.57 0.00 0.00 175.55 171.63 1c5m n PRO 43 N 3.66 0.60 -5.08 -1.71 -0.02 -1.26 -5.03 135.00 126.15 1c5m n PRO 43 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1c5m n PRO 43 Cb 0.38 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.71 1c5m n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c5m n GLY 45 N 2.73 0.33 3.13 0.00 0.00 -1.26 -5.03 105.19 105.09 1c5m n GLY 45 Ca -0.17 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 1c5m n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c5m s LYS 46 N -3.78 2.27 0.59 1.61 -0.14 -1.26 -5.11 119.74 113.91 1c5m s LYS 46 Ca 0.00 -0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 53.76 1c5m s LYS 46 Cb 0.00 -1.81 -0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1c5m s LYS 46 CO 0.00 0.15 1.33 -0.65 -0.76 0.00 0.00 175.35 175.42 1c5m s GLN 47 N 0.38 2.90 -1.13 1.68 -0.21 -1.26 -4.80 119.66 117.22 1c5m s GLN 47 Ca -0.14 2.16 -0.18 0.00 0.02 0.00 0.00 55.36 57.22 1c5m s GLN 47 Cb -0.16 -2.08 0.10 0.00 1.00 0.00 0.00 33.01 31.87 1c5m s GLN 47 CO 0.05 -1.36 1.45 0.95 -2.12 0.00 0.00 175.29 174.27 1c5m s THR 48 N -1.34 4.44 -0.18 -0.19 -4.23 -1.26 -4.90 115.64 107.97 1c5m s THR 48 Ca 0.76 -1.74 -0.18 0.00 -1.18 0.00 0.00 61.69 59.35 1c5m s THR 48 Cb -0.39 -5.00 -0.04 0.00 1.34 0.00 0.00 72.50 68.41 1c5m s THR 48 CO 0.44 -1.79 0.50 -0.76 -0.54 0.00 0.00 174.62 172.48 1c5m s LEU 49 N 3.40 4.18 0.08 4.79 1.43 -1.26 -4.81 118.68 126.49 1c5m s LEU 49 Ca 0.44 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1c5m s LEU 49 Cb -0.01 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1c5m s LEU 49 CO -0.02 -0.12 0.00 1.21 0.23 0.00 0.00 176.35 177.64 1c5m n GLU 50 N 4.45 -0.61 -0.13 1.70 4.07 -1.26 -5.22 120.64 123.64 1c5m n GLU 50 Ca -0.06 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 1c5m n GLU 50 Cb 0.51 -0.57 0.00 0.00 -0.06 0.00 0.00 31.44 31.32 1c5m n GLU 50 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96