#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s GLU 5 N 0.00 2.48 0.11 5.56 2.12 -1.26 -0.95 118.70 126.76 1n8r s GLU 5 Ca 0.00 -0.89 -0.31 0.00 0.36 0.00 0.00 54.97 54.13 1n8r s GLU 5 Cb 0.00 -2.16 -0.08 0.00 0.26 0.00 0.00 34.13 32.15 1n8r s GLU 5 CO 0.00 0.43 1.38 0.00 -0.54 0.00 0.00 175.26 176.53 1n8r n ASP 7 N 3.95 0.00 0.00 0.00 8.00 -0.35 -2.36 116.55 125.79 1n8r n ASP 7 Ca 0.11 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1n8r n ASP 7 Cb 0.43 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1n8r n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r n TYR 8 N -1.17 0.00 0.05 1.24 9.36 -1.26 -4.84 117.16 120.54 1n8r n TYR 8 Ca 0.04 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.14 1n8r n TYR 8 Cb 0.04 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.74 1n8r n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1n8r n GLY 10 N 0.73 0.40 3.73 0.00 0.00 -0.99 0.85 105.19 109.90 1n8r n GLY 10 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1n8r n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8r s THR 11 N -2.00 2.84 0.11 2.61 -4.23 -1.26 -4.35 115.64 109.36 1n8r s THR 11 Ca 0.00 0.27 -0.31 0.00 -1.18 0.00 0.00 61.69 60.47 1n8r s THR 11 Cb 0.00 -2.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 1n8r s THR 11 CO 0.00 -0.36 1.33 -1.81 -0.54 0.00 0.00 174.62 173.24 1n8r s ASP 12 N -3.17 6.91 -0.29 3.99 1.01 -1.26 -1.06 116.67 122.80 1n8r s ASP 12 Ca 0.63 2.26 -0.25 0.00 0.71 0.00 0.00 52.55 55.90 1n8r s ASP 12 Cb -0.19 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1n8r s ASP 12 CO 0.57 -0.58 0.87 -0.63 0.21 0.00 0.00 175.17 175.60 1n8r s ILE 13 N 0.92 4.75 -0.17 0.77 1.01 -0.12 -4.85 121.20 123.51 1n8r s ILE 13 Ca 0.62 1.44 -0.33 0.00 0.00 0.00 0.00 60.65 62.38 1n8r s ILE 13 Cb -0.35 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 37.83 1n8r s ILE 13 CO 0.31 -0.24 2.03 1.21 0.00 0.00 0.00 174.94 178.26 1n8r n GLU 14 N 6.27 1.93 -1.56 2.79 4.07 -1.26 -4.43 120.64 128.46 1n8r n GLU 14 Ca 0.06 0.65 -0.46 0.00 -0.06 0.00 0.00 57.16 57.35 1n8r n GLU 14 Cb 0.48 -2.76 -0.02 0.00 -0.06 0.00 0.00 31.44 29.08 1n8r n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1n8r n PRO 15 N 7.52 1.12 -1.97 5.31 -0.04 -1.26 -2.00 135.00 143.68 1n8r n PRO 15 Ca 0.28 0.39 -0.05 0.00 -0.04 0.00 0.00 63.50 64.09 1n8r n PRO 15 Cb 0.32 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1n8r n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n8r n GLY 16 N 1.47 0.25 3.27 0.55 0.00 -1.26 -5.04 105.19 104.43 1n8r n GLY 16 Ca 0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1n8r n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s THR 17 N -2.23 0.10 0.00 2.61 2.01 -0.85 -5.18 115.64 112.11 1n8r s THR 17 Ca 0.00 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 60.66 1n8r s THR 17 Cb 0.00 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1n8r s THR 17 CO 0.00 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.09 1n8r n GLY 18 N -0.14 -0.21 3.00 4.40 0.00 -1.26 -4.85 105.19 106.12 1n8r n GLY 18 Ca -0.10 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 1n8r n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s THR 19 N -1.97 0.69 -0.43 2.61 2.01 -1.05 -5.01 115.64 112.50 1n8r s THR 19 Ca 0.00 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 1n8r s THR 19 Cb 0.00 -0.60 0.07 0.00 0.01 0.00 0.00 72.50 71.98 1n8r s THR 19 CO 0.00 0.21 0.29 -0.32 -0.69 0.00 0.00 174.62 174.11 1n8r s MET 20 N -0.02 2.71 -0.07 4.92 1.75 -1.26 -1.06 119.30 126.27 1n8r s MET 20 Ca 0.01 -1.42 -0.25 0.00 -1.25 0.00 0.00 55.69 52.77 1n8r s MET 20 Cb -0.05 -3.87 -0.03 0.00 2.84 0.00 0.00 34.83 33.72 1n8r s MET 20 CO -0.00 -0.96 0.79 0.12 -0.65 0.00 0.00 175.02 174.32 1n8r s PHE 21 N 1.48 3.57 -0.32 4.11 5.36 0.07 -4.87 117.98 127.38 1n8r s PHE 21 Ca 0.03 1.37 -0.12 0.00 -0.96 0.00 0.00 56.93 57.25 1n8r s PHE 21 Cb -0.23 -2.92 -0.02 0.00 -0.34 0.00 0.00 43.02 39.51 1n8r s PHE 21 CO 0.03 0.01 0.20 0.08 -1.46 0.00 0.00 175.22 174.09 1n8r s VAL 22 N 1.07 5.04 0.70 3.12 1.01 -1.26 -0.38 120.40 129.70 1n8r s VAL 22 Ca 0.41 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1n8r s VAL 22 Cb -0.18 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1n8r s VAL 22 CO 0.20 0.04 1.07 -1.00 0.00 0.00 0.00 175.10 175.41 1n8r s HIS 23 N 1.69 2.92 0.19 5.22 0.09 0.27 -4.93 115.29 120.73 1n8r s HIS 23 Ca 0.06 1.48 -0.14 0.00 -0.00 0.00 0.00 55.06 56.45 1n8r s HIS 23 Cb -0.17 -2.96 0.19 0.00 -0.00 0.00 0.00 32.58 29.64 1n8r s HIS 23 CO 0.09 -1.40 1.67 -0.22 -0.00 0.00 0.00 174.74 174.88 1n8r h LYS 24 N -0.63 0.06 0.00 1.40 3.64 -1.98 0.48 116.57 119.54 1n8r h LYS 24 Ca -0.44 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1n8r h LYS 24 Cb 1.22 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1n8r h LYS 24 CO 0.55 0.04 -0.16 0.38 -2.27 0.00 0.00 179.45 177.99 1n8r h ASP 25 N 0.06 0.00 0.00 4.20 -0.00 -2.05 -3.46 116.42 115.18 1n8r h ASP 25 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.29 1n8r h ASP 25 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 1n8r h ASP 25 CO -0.47 0.16 0.00 0.61 -0.00 0.00 0.00 179.24 179.54 1n8r n GLY 26 N -0.89 1.60 3.46 7.15 0.00 0.16 -5.12 105.19 111.55 1n8r n GLY 26 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1n8r n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 27 N 0.00 -1.33 -2.96 4.61 0.00 -1.26 -4.51 120.51 115.06 1n8r n ALA 27 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1n8r n ALA 27 Cb 0.00 -1.84 -0.17 0.00 0.00 0.00 0.00 19.45 17.45 1n8r n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n8r s THR 28 N -1.80 1.90 -0.22 0.00 2.01 -1.26 -0.57 115.64 115.70 1n8r s THR 28 Ca 0.67 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1n8r s THR 28 Cb -0.40 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1n8r s THR 28 CO 0.56 0.53 -0.01 -0.89 -0.69 0.00 0.00 174.62 174.11 1n8r s THR 29 N 0.08 1.09 -0.15 -0.82 2.01 0.49 -4.98 115.64 113.35 1n8r s THR 29 Ca -0.09 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.74 1n8r s THR 29 Cb -0.15 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1n8r s THR 29 CO 0.05 -0.15 0.76 -1.00 -0.69 0.00 0.00 174.62 173.59 1n8r s HIS 30 N 1.60 3.45 0.01 4.92 3.76 -1.26 -0.75 115.29 127.02 1n8r s HIS 30 Ca -0.04 1.19 0.03 0.00 -0.15 0.00 0.00 55.06 56.09 1n8r s HIS 30 Cb -0.18 -2.92 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1n8r s HIS 30 CO -0.07 -0.15 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.57 1n8r s PHE 31 N 1.78 2.94 -0.50 1.40 0.40 -0.22 -1.21 117.98 122.57 1n8r s PHE 31 Ca 0.36 -0.01 0.23 0.00 -0.60 0.00 0.00 56.93 56.91 1n8r s PHE 31 Cb -0.17 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.80 1n8r s PHE 31 CO 0.13 0.41 1.03 0.00 0.70 0.00 0.00 175.22 177.49 1n8r s SER 33 N -4.27 -0.40 0.28 0.00 1.04 -1.26 -4.40 113.70 104.69 1n8r s SER 33 Ca 0.02 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1n8r s SER 33 Cb 0.13 0.61 0.41 0.00 0.10 0.00 0.00 66.02 67.27 1n8r s SER 33 CO 0.80 -1.06 1.79 0.77 0.98 0.00 0.00 173.24 176.52 1n8r h SER 34 N 2.08 0.69 -0.70 7.02 4.64 -1.99 -2.18 113.55 123.11 1n8r h SER 34 Ca -0.30 -0.15 0.15 0.00 -0.47 0.00 0.00 61.79 61.02 1n8r h SER 34 Cb 1.28 -0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 63.08 1n8r h SER 34 CO 0.36 0.75 0.10 0.50 -0.87 0.00 0.00 176.83 177.67 1n8r h LYS 35 N 0.68 0.19 0.00 4.77 3.64 -1.99 0.24 116.57 124.11 1n8r h LYS 35 Ca 0.14 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 1n8r h LYS 35 Cb 0.41 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1n8r h LYS 35 CO 0.02 0.13 -1.08 0.00 -2.27 0.00 0.00 179.45 176.25 1n8r h GLU 37 N 0.00 0.35 -0.14 0.00 5.08 -0.71 -1.56 114.58 117.59 1n8r h GLU 37 Ca -0.08 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1n8r h GLU 37 Cb 1.70 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1n8r h GLU 37 CO 0.09 0.46 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.43 1n8r h ASN 38 N 0.17 0.25 0.49 1.42 2.35 -0.53 0.52 115.58 120.24 1n8r h ASN 38 Ca 0.07 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1n8r h ASN 38 Cb 0.27 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1n8r h ASN 38 CO 0.00 0.49 -0.70 0.78 -1.65 0.00 0.00 177.43 176.35 1n8r h ASN 39 N 0.23 0.21 -0.03 5.81 4.21 -1.24 -2.86 115.58 121.91 1n8r h ASN 39 Ca 0.04 -0.14 -0.05 0.00 1.21 0.00 0.00 56.30 57.36 1n8r h ASN 39 Cb 0.54 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1n8r h ASN 39 CO 0.04 0.85 -0.18 0.00 -1.29 0.00 0.00 177.43 176.85 1n8r h ALA 40 N 1.15 0.06 0.00 -0.83 0.00 -0.91 -2.63 119.26 116.10 1n8r h ALA 40 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n8r h ALA 40 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n8r h ALA 40 CO 0.11 0.03 0.00 -0.44 0.00 0.00 0.00 179.25 178.94 1n8r h ASP 41 N -0.42 0.00 -0.03 0.00 3.32 -0.91 0.80 116.42 119.19 1n8r h ASP 41 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1n8r h ASP 41 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1n8r h ASP 41 CO 0.04 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 1n8r n LEU 42 N -2.38 0.98 0.00 1.55 4.77 -1.08 -4.90 117.00 115.95 1n8r n LEU 42 Ca -0.01 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1n8r n LEU 42 Cb 0.05 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1n8r n LEU 42 CO 0.12 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1n8r n GLY 43 N 1.09 0.80 3.80 -0.72 0.00 0.28 -5.03 105.19 105.41 1n8r n GLY 43 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1n8r n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8r s ARG 44 N -0.06 4.07 -0.14 1.61 0.52 -1.00 -5.02 118.95 118.93 1n8r s ARG 44 Ca 0.00 1.30 -0.05 0.00 -0.52 0.00 0.00 55.73 56.46 1n8r s ARG 44 Cb 0.00 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 1n8r s ARG 44 CO 0.00 -0.19 0.02 -1.21 0.02 0.00 0.00 175.30 173.94 1n8r s GLU 45 N -3.00 3.58 0.58 3.54 2.02 -1.26 -4.40 118.70 119.75 1n8r s GLU 45 Ca 0.63 -0.40 0.29 0.00 0.02 0.00 0.00 54.97 55.51 1n8r s GLU 45 Cb -0.15 -3.01 1.47 0.00 0.10 0.00 0.00 34.13 32.54 1n8r s GLU 45 CO 0.19 0.42 1.90 0.00 0.02 0.00 0.00 175.26 177.79 1n8r h ALA 46 N 6.16 2.32 -0.09 5.21 0.00 -1.94 -2.00 119.26 128.92 1n8r h ALA 46 Ca -0.40 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1n8r h ALA 46 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1n8r h ALA 46 CO 0.63 -0.78 -0.36 0.00 0.00 0.00 0.00 179.25 178.74 1n8r h ARG 47 N 0.00 0.18 0.00 0.00 3.08 -1.92 -2.97 114.38 112.74 1n8r h ARG 47 Ca 0.25 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1n8r h ARG 47 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1n8r h ARG 47 CO -0.00 0.52 -0.15 0.09 -1.07 0.00 0.00 179.97 179.36 1n8r n ASN 48 N -4.08 0.44 -4.59 7.04 3.02 -0.75 -4.41 115.26 111.93 1n8r n ASN 48 Ca -0.01 0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 54.53 1n8r n ASN 48 Cb 0.43 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 1n8r n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n8r s LEU 49 N -3.69 4.09 0.45 3.41 1.43 -1.12 -4.99 118.68 118.26 1n8r s LEU 49 Ca 0.11 0.03 0.16 0.00 -1.03 0.00 0.00 54.13 53.41 1n8r s LEU 49 Cb 0.16 -2.23 1.03 0.00 0.03 0.00 0.00 46.19 45.18 1n8r s LEU 49 CO 0.60 -0.12 1.98 -0.33 0.23 0.00 0.00 176.35 178.71 1n8r h GLU 50 N 8.33 0.00 0.00 1.70 5.08 -1.84 -2.92 114.58 124.92 1n8r h GLU 50 Ca -0.33 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 1n8r h GLU 50 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1n8r h GLU 50 CO 0.59 0.20 -0.27 0.11 -1.00 0.00 0.00 179.01 178.64 1n8r h TRP 51 N 0.00 0.00 -3.31 4.33 5.08 -1.94 -3.41 115.95 116.70 1n8r h TRP 51 Ca -0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 1n8r h TRP 51 Cb 0.36 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.53 1n8r h TRP 51 CO 0.00 0.27 0.55 0.99 -1.28 0.00 0.00 178.44 178.97 1n8r s THR 52 N -3.46 3.89 0.27 0.12 2.01 -1.10 -4.93 115.64 112.43 1n8r s THR 52 Ca 0.02 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.47 1n8r s THR 52 Cb 0.09 -3.92 0.26 0.00 0.01 0.00 0.00 72.50 68.94 1n8r s THR 52 CO 0.66 0.16 1.79 0.44 -0.69 0.00 0.00 174.62 176.99 1n8r h ASP 53 N 6.17 0.72 -0.09 3.53 5.19 -1.82 0.43 116.42 130.56 1n8r h ASP 53 Ca -0.43 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.08 1n8r h ASP 53 Cb 1.21 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 1n8r h ASP 53 CO 0.78 0.33 -0.41 0.74 -3.12 0.00 0.00 179.24 177.57 1n8r h THR 54 N 0.78 0.00 -0.79 0.35 2.02 0.15 0.13 112.91 115.56 1n8r h THR 54 Ca 0.49 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.86 1n8r h THR 54 Cb 0.62 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1n8r h THR 54 CO -0.32 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.11 1n8r h ALA 55 N -0.60 2.38 -0.01 6.16 0.00 -1.32 -3.48 119.26 122.39 1n8r h ALA 55 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n8r h ALA 55 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n8r h ALA 55 CO -0.32 -0.61 0.00 0.54 0.00 0.00 0.00 179.25 178.86