#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s GLY 2 N 0.00 2.90 0.02 3.41 0.00 -1.26 -4.91 107.32 107.49 1nji s GLY 2 Ca 0.00 1.17 0.28 0.00 0.00 0.00 0.00 44.72 46.17 1nji s GLY 2 CO 0.00 1.72 1.87 0.00 0.00 0.00 0.00 173.10 176.69 1nji n ALA 3 N -0.04 2.43 -1.61 3.20 0.00 -1.26 -3.23 120.51 120.00 1nji n ALA 3 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1nji n ALA 3 Cb 0.45 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1nji n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 4 N 1.48 0.60 0.42 0.00 0.00 -1.26 -4.55 105.19 101.88 1nji n GLY 4 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1nji n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nji h THR 5 N 0.00 0.02 -0.68 2.61 2.02 -2.01 0.13 112.91 115.00 1nji h THR 5 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1nji h THR 5 Cb 0.00 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.40 1nji h THR 5 CO 0.00 0.00 0.48 1.55 0.37 0.00 0.00 175.52 177.92 1nji h PRO 6 N -0.17 0.04 -0.00 6.66 0.13 -1.91 0.19 132.00 136.94 1nji h PRO 6 Ca 0.15 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1nji h PRO 6 Cb 0.51 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1nji h PRO 6 CO -0.79 0.03 -0.05 0.43 -0.23 0.00 0.00 178.00 177.39 1nji n SER 7 N -4.36 0.36 0.14 1.44 7.64 0.43 -3.49 113.62 115.79 1nji n SER 7 Ca 0.13 -0.72 0.12 0.00 1.01 0.00 0.00 58.87 59.42 1nji n SER 7 Cb 0.72 -0.08 0.25 0.00 -1.01 0.00 0.00 64.21 64.08 1nji n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1nji h GLN 8 N 0.50 0.00 0.00 1.43 1.08 -0.29 -3.35 115.11 114.48 1nji h GLN 8 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1nji h GLN 8 Cb 0.26 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1nji h GLN 8 CO 0.00 0.00 -0.17 0.78 -0.95 0.00 0.00 178.83 178.49 1nji h GLY 9 N 4.29 0.00 -0.65 3.46 0.00 -1.66 -2.97 103.07 105.54 1nji h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nji h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1nji n LYS 10 N -3.66 1.50 -2.86 4.80 5.02 -1.26 -4.69 118.16 117.02 1nji n LYS 10 Ca -0.01 -0.77 -0.44 0.00 -2.02 0.00 0.00 58.31 55.06 1nji n LYS 10 Cb 0.29 -1.24 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1nji n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nji s LYS 11 N -1.76 4.03 -0.06 1.97 1.02 -1.12 -4.52 119.74 119.30 1nji s LYS 11 Ca 0.20 -2.38 0.16 0.00 0.02 0.00 0.00 55.97 53.98 1nji s LYS 11 Cb 0.11 -5.16 0.32 0.00 -0.52 0.00 0.00 37.83 32.57 1nji s LYS 11 CO 0.15 -1.88 1.14 0.27 -0.92 0.00 0.00 175.35 174.12 1nji n ASN 12 N 6.34 1.11 -4.79 2.83 6.94 -1.26 -5.06 115.26 121.37 1nji n ASN 12 Ca 0.38 -2.57 -0.36 0.00 -0.02 0.00 0.00 54.58 52.01 1nji n ASN 12 Cb 0.44 -0.35 -0.07 0.00 -2.36 0.00 0.00 39.78 37.44 1nji n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1nji s THR 13 N -1.09 5.38 -0.19 5.53 2.01 -1.26 -5.08 115.64 120.94 1nji s THR 13 Ca 0.27 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 1nji s THR 13 Cb 0.29 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1nji s THR 13 CO -0.09 0.50 0.43 -0.89 -0.69 0.00 0.00 174.62 173.89 1nji s THR 14 N -0.22 5.18 0.00 -0.82 2.01 -1.26 -4.94 115.64 115.58 1nji s THR 14 Ca 0.14 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1nji s THR 14 Cb -0.12 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1nji s THR 14 CO 0.03 0.25 0.00 0.35 -0.69 0.00 0.00 174.62 174.55 1nji n THR 15 N 4.30 0.00 -2.56 -0.82 -2.24 -1.26 -4.76 114.28 106.93 1nji n THR 15 Ca -0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1nji n THR 15 Cb 0.51 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1nji n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nji s HIS 16 N -0.32 3.42 0.14 4.78 3.76 -1.26 0.30 115.29 126.11 1nji s HIS 16 Ca 0.00 1.43 0.02 0.00 -0.15 0.00 0.00 55.06 56.36 1nji s HIS 16 Cb 0.00 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1nji s HIS 16 CO 0.00 -0.75 -0.03 0.95 -0.85 0.00 0.00 174.74 174.06 1nji s THR 17 N 1.69 0.73 -0.13 1.30 -4.23 0.64 -4.77 115.64 110.86 1nji s THR 17 Ca 0.54 -1.97 -0.40 0.00 -1.18 0.00 0.00 61.69 58.67 1nji s THR 17 Cb -0.23 -1.94 -0.18 0.00 1.34 0.00 0.00 72.50 71.48 1nji s THR 17 CO 0.24 -0.64 1.41 1.17 -0.54 0.00 0.00 174.62 176.26 1nji n LYS 18 N -0.17 0.62 -3.19 3.99 3.00 -1.26 0.59 118.16 121.74 1nji n LYS 18 Ca -0.09 0.22 -0.39 0.00 -0.00 0.00 0.00 58.31 58.06 1nji n LYS 18 Cb 0.62 -1.81 -0.05 0.00 0.00 0.00 0.00 35.03 33.79 1nji n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nji h ARG 20 N 6.82 0.30 -0.03 0.00 2.43 -1.89 -1.38 114.38 120.63 1nji h ARG 20 Ca -0.40 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1nji h ARG 20 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1nji h ARG 20 CO 0.76 0.20 -0.15 -0.09 -1.51 0.00 0.00 179.97 179.18 1nji h ARG 21 N 0.31 0.16 -0.00 0.20 2.43 -1.97 -3.40 114.38 112.12 1nji h ARG 21 Ca 0.43 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1nji h ARG 21 Cb 0.72 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1nji h ARG 21 CO -0.49 0.78 -0.26 0.00 -1.51 0.00 0.00 179.97 178.49 1nji n GLY 23 N 1.03 1.96 3.86 0.00 0.00 -0.52 -4.99 105.19 106.53 1nji n GLY 23 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1nji n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nji s GLU 24 N -0.17 3.78 -1.27 1.61 0.41 -1.26 -4.46 118.70 117.34 1nji s GLU 24 Ca 0.00 0.85 -0.08 0.00 -0.41 0.00 0.00 54.97 55.33 1nji s GLU 24 Cb 0.00 -2.11 0.17 0.00 -1.78 0.00 0.00 34.13 30.41 1nji s GLU 24 CO 0.00 -0.41 1.95 1.17 -0.49 0.00 0.00 175.26 177.48 1nji n LYS 25 N -2.13 3.96 0.00 1.61 4.81 -1.26 0.14 118.16 125.28 1nji n LYS 25 Ca 0.06 -3.63 0.00 0.00 -0.87 0.00 0.00 58.31 53.87 1nji n LYS 25 Cb 0.54 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.78 1nji n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1nji n SER 26 N 3.06 0.56 -4.61 3.14 7.64 -0.99 -4.35 113.62 118.06 1nji n SER 26 Ca 0.43 -1.19 -0.43 0.00 1.01 0.00 0.00 58.87 58.69 1nji n SER 26 Cb 0.33 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 1nji n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1nji s TYR 27 N -0.19 2.69 -0.78 1.43 5.04 0.20 -2.09 117.35 123.64 1nji s TYR 27 Ca 0.00 0.77 -0.26 0.00 -2.44 0.00 0.00 57.07 55.14 1nji s TYR 27 Cb 0.00 -4.24 0.02 0.00 0.35 0.00 0.00 41.96 38.09 1nji s TYR 27 CO 0.00 -1.52 1.48 -1.58 -1.34 0.00 0.00 175.55 172.59 1nji s HIS 28 N 4.69 2.17 -0.40 4.97 5.65 -0.64 0.23 115.29 131.96 1nji s HIS 28 Ca 0.53 0.01 0.13 0.00 0.25 0.00 0.00 55.06 55.98 1nji s HIS 28 Cb -0.11 -4.49 0.70 0.00 -1.18 0.00 0.00 32.58 27.50 1nji s HIS 28 CO 0.29 -2.07 1.36 -2.37 -0.65 0.00 0.00 174.74 171.30 1nji n THR 29 N 6.76 1.22 0.01 0.89 5.66 0.15 0.21 114.28 129.18 1nji n THR 29 Ca 0.15 0.66 -0.19 0.00 -3.05 0.00 0.00 64.05 61.62 1nji n THR 29 Cb 0.50 -1.66 -0.14 0.00 -1.55 0.00 0.00 70.33 67.48 1nji n THR 29 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1nji h LYS 30 N 0.00 0.25 0.00 1.09 1.79 -1.86 -3.37 116.57 114.47 1nji h LYS 30 Ca 0.00 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1nji h LYS 30 Cb 0.14 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1nji h LYS 30 CO 0.00 1.12 -1.07 1.63 -1.08 0.00 0.00 179.45 180.05 1nji n LYS 31 N -3.43 0.37 -3.38 3.15 5.02 -0.25 -4.97 118.16 114.67 1nji n LYS 31 Ca -0.28 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.78 1nji n LYS 31 Cb 1.05 -1.63 0.05 0.00 -0.02 0.00 0.00 35.03 34.47 1nji n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nji n LYS 32 N -2.12 -5.97 -3.84 1.97 4.76 0.56 -4.98 118.16 108.54 1nji n LYS 32 Ca 0.01 0.80 -0.14 0.00 -2.87 0.00 0.00 58.31 56.11 1nji n LYS 32 Cb 0.47 -5.73 -0.15 0.00 -1.84 0.00 0.00 35.03 27.78 1nji n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1nji s VAL 33 N -3.22 0.01 -0.24 -0.18 1.01 -1.20 -4.46 120.40 112.11 1nji s VAL 33 Ca 0.46 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 1nji s VAL 33 Cb -0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1nji s VAL 33 CO 0.57 0.06 0.68 0.00 0.00 0.00 0.00 175.10 176.42 1nji n SER 35 N 5.66 0.42 -0.10 0.00 3.41 -0.89 -1.03 113.62 121.10 1nji n SER 35 Ca 0.01 0.58 -0.18 0.00 -0.26 0.00 0.00 58.87 59.02 1nji n SER 35 Cb 0.49 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 1nji n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nji n SER 36 N -1.94 1.89 -0.05 4.04 2.88 -1.26 -4.71 113.62 114.48 1nji n SER 36 Ca 0.04 0.43 0.09 0.00 -1.33 0.00 0.00 58.87 58.09 1nji n SER 36 Cb 0.26 -0.86 -0.09 0.00 -0.75 0.00 0.00 64.21 62.77 1nji n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nji n GLY 38 N 1.42 1.13 3.60 0.00 0.00 -0.19 -0.56 105.19 110.58 1nji n GLY 38 Ca 0.04 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 1nji n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nji n PHE 39 N -2.00 1.61 0.00 1.61 7.35 -1.26 -0.23 117.46 124.54 1nji n PHE 39 Ca 0.00 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 1nji n PHE 39 Cb 0.00 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.47 1nji n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nji n GLY 40 N 2.63 2.92 0.26 7.13 0.00 -1.26 -0.49 105.19 116.38 1nji n GLY 40 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1nji n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nji n LYS 41 N -1.88 0.00 -4.48 1.61 4.81 0.68 -4.86 118.16 114.03 1nji n LYS 41 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1nji n LYS 41 Cb 0.00 -0.82 -0.16 0.00 0.02 0.00 0.00 35.03 34.07 1nji n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nji s SER 42 N -4.14 1.41 0.08 3.14 0.15 0.02 -5.00 113.70 109.35 1nji s SER 42 Ca 0.00 -0.22 -0.20 0.00 0.70 0.00 0.00 55.95 56.23 1nji s SER 42 Cb 0.00 -0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 63.84 1nji s SER 42 CO 0.00 0.09 1.56 0.00 1.20 0.00 0.00 173.24 176.09 1nji h ALA 43 N 6.33 0.25 -2.37 5.45 0.00 -1.97 -3.40 119.26 123.55 1nji h ALA 43 Ca -0.33 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 53.91 1nji h ALA 43 Cb 1.17 -0.07 0.14 0.00 0.00 0.00 0.00 17.79 19.03 1nji h ALA 43 CO 0.49 -0.10 0.32 0.15 0.00 0.00 0.00 179.25 180.10 1nji s LYS 44 N -5.25 2.12 0.16 0.00 1.02 -1.26 -4.99 119.74 111.55 1nji s LYS 44 Ca -0.14 1.35 -0.26 0.00 0.02 0.00 0.00 55.97 56.93 1nji s LYS 44 Cb 0.07 -1.87 -0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1nji s LYS 44 CO 0.72 -1.77 0.82 1.03 -0.92 0.00 0.00 175.35 175.22 1nji s ARG 45 N -4.59 4.62 0.10 1.68 1.81 -1.26 -4.85 118.95 116.45 1nji s ARG 45 Ca 0.65 1.22 -0.31 0.00 -1.72 0.00 0.00 55.73 55.57 1nji s ARG 45 Cb -0.20 -3.29 -0.09 0.00 -0.45 0.00 0.00 34.95 30.92 1nji s ARG 45 CO 0.52 0.50 1.71 0.50 -0.68 0.00 0.00 175.30 177.85 1nji s ARG 46 N -0.93 4.18 -0.23 3.54 3.52 0.27 -4.96 118.95 124.34 1nji s ARG 46 Ca 0.38 2.43 -0.26 0.00 -0.13 0.00 0.00 55.73 58.14 1nji s ARG 46 Cb -0.23 -3.57 0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1nji s ARG 46 CO 0.27 -0.77 0.87 0.34 -0.81 0.00 0.00 175.30 175.20 1nji s ASP 47 N 2.44 -0.58 0.03 -2.12 -1.08 -1.26 -4.82 116.67 109.28 1nji s ASP 47 Ca 0.76 1.00 0.01 0.00 -0.52 0.00 0.00 52.55 53.80 1nji s ASP 47 Cb -0.42 0.97 -0.02 0.00 -1.46 0.00 0.00 42.92 41.99 1nji s ASP 47 CO 0.34 -0.27 -0.05 -0.31 0.52 0.00 0.00 175.17 175.39 1nji s TYR 48 N -0.09 0.44 0.13 -5.34 1.51 -1.26 -5.02 117.35 107.73 1nji s TYR 48 Ca -0.01 -0.55 0.32 0.00 -1.01 0.00 0.00 57.07 55.83 1nji s TYR 48 Cb -0.04 -0.29 1.33 0.00 -0.11 0.00 0.00 41.96 42.85 1nji s TYR 48 CO -0.00 -0.16 1.97 0.93 -1.11 0.00 0.00 175.55 177.18 1nji h GLU 49 N 4.49 0.00 0.00 -0.62 4.39 -2.01 -2.73 114.58 118.10 1nji h GLU 49 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1nji h GLU 49 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1nji h GLU 49 CO 0.42 0.04 0.00 -2.67 -1.16 0.00 0.00 179.01 175.64 1nji n TRP 50 N -3.16 0.00 1.66 4.33 4.27 -1.26 -2.76 117.44 120.52 1nji n TRP 50 Ca 0.00 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.76 1nji n TRP 50 Cb 0.32 0.00 0.82 0.00 -1.36 0.00 0.00 31.31 31.09 1nji n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1nji n GLN 51 N -0.90 0.72 -4.08 -2.67 6.02 -1.03 -4.80 117.38 110.64 1nji n GLN 51 Ca 0.18 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1nji n GLN 51 Cb 0.08 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 1nji n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1nji s SER 52 N -2.24 0.11 0.45 1.08 1.04 -1.11 -5.11 113.70 107.91 1nji s SER 52 Ca 0.38 -1.11 -0.24 0.00 0.48 0.00 0.00 55.95 55.45 1nji s SER 52 Cb 0.20 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.66 1nji s SER 52 CO 0.38 -0.89 1.29 -0.54 0.98 0.00 0.00 173.24 174.47 1nji s LYS 53 N -4.05 3.73 0.29 4.02 -0.14 -1.26 -4.90 119.74 117.43 1nji s LYS 53 Ca 0.26 2.11 0.02 0.00 -1.36 0.00 0.00 55.97 56.99 1nji s LYS 53 Cb 0.05 -2.57 0.71 0.00 -1.68 0.00 0.00 37.83 34.34 1nji s LYS 53 CO 0.06 -0.67 1.63 0.00 -0.76 0.00 0.00 175.35 175.60 1nji h ALA 54 N 2.26 1.23 -0.79 5.17 0.00 -1.96 -1.20 119.26 123.97 1nji h ALA 54 Ca -0.50 0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 1nji h ALA 54 Cb 1.26 0.39 -0.23 0.00 0.00 0.00 0.00 17.79 19.21 1nji h ALA 54 CO 0.61 -0.51 0.72 0.41 0.00 0.00 0.00 179.25 180.48 1nji n GLY 55 N -1.40 5.12 0.00 0.00 0.00 -1.26 -5.15 105.19 102.50 1nji n GLY 55 Ca 0.21 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1nji n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11