#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s GLU 5 N 0.00 2.40 -0.19 5.56 2.12 -1.26 -1.12 118.70 126.21 1nji s GLU 5 Ca 0.00 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.23 1nji s GLU 5 Cb 0.00 -1.98 -0.08 0.00 0.26 0.00 0.00 34.13 32.33 1nji s GLU 5 CO 0.00 0.27 2.12 0.00 -0.54 0.00 0.00 175.26 177.11 1nji n ASP 7 N 9.79 0.00 0.00 0.00 8.00 -0.64 -1.71 116.55 132.00 1nji n ASP 7 Ca 0.30 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1nji n ASP 7 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1nji n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji n TYR 8 N -0.74 0.00 0.05 1.24 9.36 -1.26 -4.88 117.16 120.92 1nji n TYR 8 Ca 0.01 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.15 1nji n TYR 8 Cb 0.00 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.59 1nji n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nji n GLY 10 N 1.40 1.88 3.74 0.00 0.00 -0.69 -0.01 105.19 111.51 1nji n GLY 10 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1nji n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nji s THR 11 N -2.44 2.92 0.19 2.61 -4.23 -1.26 -4.46 115.64 108.98 1nji s THR 11 Ca 0.00 0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 1nji s THR 11 Cb 0.00 -2.81 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 1nji s THR 11 CO 0.00 -0.39 1.20 -1.81 -0.54 0.00 0.00 174.62 173.07 1nji s ASP 12 N -3.45 7.09 -0.46 3.99 1.01 -1.26 -1.36 116.67 122.22 1nji s ASP 12 Ca 0.62 2.25 -0.24 0.00 0.71 0.00 0.00 52.55 55.89 1nji s ASP 12 Cb -0.17 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.17 1nji s ASP 12 CO 0.56 -0.36 0.86 -0.63 0.21 0.00 0.00 175.17 175.81 1nji s ILE 13 N -0.14 4.55 -0.29 0.77 1.01 -0.28 -4.86 121.20 121.96 1nji s ILE 13 Ca 0.52 0.57 -0.39 0.00 0.00 0.00 0.00 60.65 61.35 1nji s ILE 13 Cb -0.33 -4.39 -0.15 0.00 0.01 0.00 0.00 42.46 37.61 1nji s ILE 13 CO 0.37 -0.80 1.85 1.21 0.00 0.00 0.00 174.94 177.58 1nji n GLU 14 N 6.98 1.18 -1.53 2.79 4.07 -1.26 -4.56 120.64 128.31 1nji n GLU 14 Ca 0.04 0.42 -0.41 0.00 -0.06 0.00 0.00 57.16 57.15 1nji n GLU 14 Cb 0.48 -2.19 0.02 0.00 -0.06 0.00 0.00 31.44 29.70 1nji n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1nji n PRO 15 N 6.07 0.87 -2.39 5.31 -0.04 -1.26 -2.26 135.00 141.31 1nji n PRO 15 Ca 0.30 0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.98 1nji n PRO 15 Cb 0.15 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 1nji n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nji n GLY 16 N 1.52 0.08 3.31 0.55 0.00 -1.26 -5.01 105.19 104.37 1nji n GLY 16 Ca 0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1nji n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nji s THR 17 N -2.64 0.09 0.00 2.61 2.01 -0.96 -5.16 115.64 111.59 1nji s THR 17 Ca 0.07 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1nji s THR 17 Cb -0.03 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1nji s THR 17 CO 0.08 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1nji n GLY 18 N -0.18 -0.33 3.17 4.40 0.00 -1.26 -4.87 105.19 106.12 1nji n GLY 18 Ca -0.13 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 1nji n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nji s THR 19 N -1.61 1.03 -0.22 2.61 2.01 -0.83 -4.99 115.64 113.64 1nji s THR 19 Ca 0.00 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 60.60 1nji s THR 19 Cb 0.00 -1.15 0.04 0.00 0.01 0.00 0.00 72.50 71.40 1nji s THR 19 CO 0.00 -0.36 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.11 1nji s MET 20 N -2.12 2.46 -0.17 4.92 1.75 -1.26 0.42 119.30 125.30 1nji s MET 20 Ca 0.00 -1.05 -0.18 0.00 -1.25 0.00 0.00 55.69 53.21 1nji s MET 20 Cb -0.07 -2.67 -0.04 0.00 2.84 0.00 0.00 34.83 34.89 1nji s MET 20 CO 0.02 -0.41 0.49 0.12 -0.65 0.00 0.00 175.02 174.59 1nji s PHE 21 N 1.23 3.43 -0.33 4.11 5.36 -0.04 -4.90 117.98 126.84 1nji s PHE 21 Ca -0.02 0.81 -0.15 0.00 -0.96 0.00 0.00 56.93 56.61 1nji s PHE 21 Cb -0.17 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.89 1nji s PHE 21 CO -0.09 0.02 0.33 0.08 -1.46 0.00 0.00 175.22 174.11 1nji s VAL 22 N 1.18 5.19 0.80 3.12 1.01 -1.26 -1.22 120.40 129.22 1nji s VAL 22 Ca 0.24 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1nji s VAL 22 Cb -0.15 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1nji s VAL 22 CO 0.10 -0.03 1.09 -1.00 0.00 0.00 0.00 175.10 175.26 1nji s HIS 23 N 1.97 2.72 0.16 5.22 0.09 0.30 -4.92 115.29 120.82 1nji s HIS 23 Ca 0.11 1.30 -0.20 0.00 -0.00 0.00 0.00 55.06 56.27 1nji s HIS 23 Cb -0.17 -3.07 0.08 0.00 -0.00 0.00 0.00 32.58 29.42 1nji s HIS 23 CO 0.11 -1.82 1.64 -0.22 -0.00 0.00 0.00 174.74 174.45 1nji h LYS 24 N -1.13 -0.13 0.00 1.40 3.64 -1.98 -0.65 116.57 117.72 1nji h LYS 24 Ca -0.46 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1nji h LYS 24 Cb 1.25 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1nji h LYS 24 CO 0.56 -0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 177.26 1nji n ASP 25 N -5.36 0.50 0.00 4.20 3.85 -1.26 -4.84 116.55 113.63 1nji n ASP 25 Ca 0.01 0.66 0.00 0.00 -0.71 0.00 0.00 54.79 54.75 1nji n ASP 25 Cb 0.28 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 1nji n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nji n GLY 26 N -0.44 1.83 3.56 6.12 0.00 -0.25 -5.09 105.19 110.92 1nji n GLY 26 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1nji n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n ALA 27 N -0.51 -0.93 -2.59 4.61 0.00 -1.26 -4.64 120.51 115.18 1nji n ALA 27 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 1nji n ALA 27 Cb 0.00 -2.02 -0.16 0.00 0.00 0.00 0.00 19.45 17.28 1nji n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nji s THR 28 N -2.00 1.41 -0.17 0.00 2.01 -1.26 -0.54 115.64 115.08 1nji s THR 28 Ca 0.68 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1nji s THR 28 Cb -0.32 -1.18 0.05 0.00 0.01 0.00 0.00 72.50 71.06 1nji s THR 28 CO 0.55 0.40 0.00 -0.89 -0.69 0.00 0.00 174.62 174.00 1nji s THR 29 N -0.30 0.71 -0.09 -0.82 2.01 -0.36 -4.99 115.64 111.80 1nji s THR 29 Ca 0.04 -0.54 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 1nji s THR 29 Cb -0.08 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1nji s THR 29 CO 0.00 -0.06 0.67 -1.00 -0.69 0.00 0.00 174.62 173.54 1nji s HIS 30 N 1.79 3.54 0.03 4.92 3.76 -1.26 -0.86 115.29 127.21 1nji s HIS 30 Ca -0.00 1.17 0.04 0.00 -0.15 0.00 0.00 55.06 56.12 1nji s HIS 30 Cb -0.16 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 1nji s HIS 30 CO -0.07 0.06 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.74 1nji s PHE 31 N 0.93 2.85 -0.18 1.40 0.40 0.17 -1.62 117.98 121.93 1nji s PHE 31 Ca 0.35 -0.07 0.18 0.00 -0.60 0.00 0.00 56.93 56.79 1nji s PHE 31 Cb -0.17 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1nji s PHE 31 CO 0.16 0.38 1.07 0.00 0.70 0.00 0.00 175.22 177.53 1nji s SER 33 N -5.86 -0.10 0.10 0.00 1.04 -1.26 -4.33 113.70 103.29 1nji s SER 33 Ca -0.00 -0.85 -0.15 0.00 0.48 0.00 0.00 55.95 55.43 1nji s SER 33 Cb 0.08 0.74 -0.09 0.00 0.10 0.00 0.00 66.02 66.86 1nji s SER 33 CO 0.78 -1.44 1.42 0.77 0.98 0.00 0.00 173.24 175.75 1nji h SER 34 N 2.00 0.75 -0.72 7.02 4.64 -1.99 -2.78 113.55 122.48 1nji h SER 34 Ca -0.26 -0.48 0.15 0.00 -0.47 0.00 0.00 61.79 60.73 1nji h SER 34 Cb 1.25 -0.21 -0.13 0.00 -0.31 0.00 0.00 62.40 62.99 1nji h SER 34 CO 0.33 1.07 -0.13 0.50 -0.87 0.00 0.00 176.83 177.73 1nji h LYS 35 N 0.44 0.02 -0.08 4.77 3.64 -1.99 0.32 116.57 123.70 1nji h LYS 35 Ca 0.04 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1nji h LYS 35 Cb 0.86 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1nji h LYS 35 CO 0.07 0.02 -0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1nji h GLU 37 N -0.15 -0.31 -0.83 0.00 5.08 -0.94 -0.39 114.58 117.04 1nji h GLU 37 Ca 0.02 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1nji h GLU 37 Cb 0.35 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1nji h GLU 37 CO 0.00 -0.21 0.49 -0.91 -1.00 0.00 0.00 179.01 177.39 1nji h ASN 38 N -0.32 1.00 -0.16 1.42 2.35 -0.36 -0.59 115.58 118.92 1nji h ASN 38 Ca 0.12 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1nji h ASN 38 Cb 0.51 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1nji h ASN 38 CO -0.39 0.77 -0.02 0.78 -1.65 0.00 0.00 177.43 176.92 1nji h ASN 39 N 1.14 0.39 -0.04 5.81 4.21 -0.50 -2.44 115.58 124.15 1nji h ASN 39 Ca 0.30 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 1nji h ASN 39 Cb -0.04 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1nji h ASN 39 CO -0.05 0.48 -0.02 0.00 -1.29 0.00 0.00 177.43 176.54 1nji h ALA 40 N 1.57 0.05 -0.06 -0.83 0.00 -0.36 -2.82 119.26 116.82 1nji h ALA 40 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1nji h ALA 40 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nji h ALA 40 CO 0.01 -0.21 0.22 -0.44 0.00 0.00 0.00 179.25 178.84 1nji h ASP 41 N -0.33 0.00 0.21 0.00 3.32 -0.70 1.28 116.42 120.21 1nji h ASP 41 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nji h ASP 41 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1nji h ASP 41 CO 0.01 0.00 -0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1nji n LEU 42 N -3.15 0.05 0.00 1.55 4.77 -0.96 -4.87 117.00 114.39 1nji n LEU 42 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1nji n LEU 42 Cb 0.30 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1nji n LEU 42 CO 0.18 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1nji n GLY 43 N 1.11 0.56 3.83 -0.72 0.00 0.44 -5.04 105.19 105.37 1nji n GLY 43 Ca 0.20 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1nji n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nji s ARG 44 N -0.32 4.19 -0.21 1.61 0.52 -1.10 -5.04 118.95 118.60 1nji s ARG 44 Ca 0.00 0.99 -0.07 0.00 -0.52 0.00 0.00 55.73 56.14 1nji s ARG 44 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1nji s ARG 44 CO 0.00 0.06 0.05 -1.21 0.02 0.00 0.00 175.30 174.22 1nji s GLU 45 N -3.00 3.75 0.46 3.54 2.02 -1.26 -4.49 118.70 119.73 1nji s GLU 45 Ca 0.58 -0.45 0.36 0.00 0.02 0.00 0.00 54.97 55.48 1nji s GLU 45 Cb -0.10 -3.21 1.55 0.00 0.10 0.00 0.00 34.13 32.47 1nji s GLU 45 CO 0.15 0.04 1.58 0.00 0.02 0.00 0.00 175.26 177.05 1nji h ALA 46 N 7.46 3.03 -0.02 5.21 0.00 -1.95 0.24 119.26 133.23 1nji h ALA 46 Ca -0.36 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1nji h ALA 46 Cb 1.18 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1nji h ALA 46 CO 0.63 -1.70 -0.04 0.00 0.00 0.00 0.00 179.25 178.13 1nji h ARG 47 N 0.00 0.02 -0.01 0.00 3.08 -1.94 -2.01 114.38 113.53 1nji h ARG 47 Ca 0.90 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.95 1nji h ARG 47 Cb 3.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 33.07 1nji h ARG 47 CO -0.39 0.06 -0.04 0.09 -1.07 0.00 0.00 179.97 178.63 1nji n ASN 48 N -4.48 1.27 -4.39 7.04 3.02 0.83 -4.49 115.26 114.06 1nji n ASN 48 Ca -0.03 -1.34 -0.40 0.00 -0.03 0.00 0.00 54.58 52.79 1nji n ASN 48 Cb 0.13 0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 1nji n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nji s LEU 49 N -2.08 4.45 0.60 3.41 1.43 -0.75 -4.98 118.68 120.76 1nji s LEU 49 Ca 0.37 -0.83 0.36 0.00 -1.03 0.00 0.00 54.13 53.00 1nji s LEU 49 Cb 0.21 -2.00 1.95 0.00 0.03 0.00 0.00 46.19 46.38 1nji s LEU 49 CO 0.37 -0.31 2.09 -0.33 0.23 0.00 0.00 176.35 178.40 1nji h GLU 50 N 8.39 0.00 0.00 1.70 5.08 -1.85 -0.93 114.58 126.96 1nji h GLU 50 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1nji h GLU 50 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1nji h GLU 50 CO 0.64 0.00 -0.32 -2.67 -1.00 0.00 0.00 179.01 175.66 1nji n TRP 51 N -2.85 0.40 -2.48 4.33 4.27 -1.26 -4.71 117.44 115.14 1nji n TRP 51 Ca -0.02 0.12 -0.42 0.00 -3.89 0.00 0.00 57.50 53.29 1nji n TRP 51 Cb 0.16 -0.60 -0.03 0.00 -1.36 0.00 0.00 31.31 29.48 1nji n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1nji s THR 52 N -3.08 4.01 0.28 -1.67 2.01 -0.36 -4.92 115.64 111.91 1nji s THR 52 Ca 0.10 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.67 1nji s THR 52 Cb 0.15 -4.00 0.28 0.00 0.01 0.00 0.00 72.50 68.94 1nji s THR 52 CO 0.65 0.19 1.84 0.44 -0.69 0.00 0.00 174.62 177.05 1nji h ASP 53 N 5.99 0.94 0.00 3.53 5.19 -1.78 0.30 116.42 130.59 1nji h ASP 53 Ca -0.43 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1nji h ASP 53 Cb 1.21 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 1nji h ASP 53 CO 0.76 0.51 -0.03 0.74 -3.12 0.00 0.00 179.24 178.11 1nji h THR 54 N 1.02 0.00 -1.00 0.35 2.02 -0.74 -1.06 112.91 113.49 1nji h THR 54 Ca 0.49 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.94 1nji h THR 54 Cb 0.45 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.72 1nji h THR 54 CO -0.25 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.21 1nji h ALA 55 N -1.44 1.83 0.00 6.16 0.00 -1.52 -3.49 119.26 120.80 1nji h ALA 55 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nji h ALA 55 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nji h ALA 55 CO -0.02 -0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.38