#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji n THR 11 N 0.00 0.53 0.33 8.89 -1.04 -1.26 -3.65 114.28 118.08 1nji n THR 11 Ca 0.00 0.13 0.21 0.00 -2.04 0.00 0.00 64.05 62.36 1nji n THR 11 Cb 0.00 -0.91 1.13 0.00 -1.82 0.00 0.00 70.33 68.73 1nji n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1nji h GLY 12 N 2.24 0.00 2.00 3.41 0.00 -1.95 -1.33 103.07 107.44 1nji h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nji h GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1nji h ARG 13 N 0.00 0.00 -0.02 4.80 0.11 -2.04 -2.83 114.38 114.40 1nji h ARG 13 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1nji h ARG 13 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1nji h ARG 13 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 1nji n PHE 14 N -2.49 0.02 -3.27 4.08 0.99 -0.50 -5.02 117.46 111.27 1nji n PHE 14 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1nji n PHE 14 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.72 1nji n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nji n GLY 15 N 1.04 2.25 1.77 1.37 0.00 -1.07 -2.03 105.19 108.53 1nji n GLY 15 Ca 0.20 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1nji n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nji n PRO 16 N 12.56 3.06 -3.83 1.61 -0.04 -1.26 -4.96 135.00 142.13 1nji n PRO 16 Ca 0.00 -2.41 -0.22 0.00 -0.04 0.00 0.00 63.50 60.83 1nji n PRO 16 Cb 0.00 -2.02 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 1nji n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1nji s ARG 17 N -2.47 3.45 0.00 0.54 0.52 -0.86 -4.67 118.95 115.46 1nji s ARG 17 Ca 0.44 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1nji s ARG 17 Cb 0.35 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.98 1nji s ARG 17 CO 0.11 0.37 0.00 0.66 0.02 0.00 0.00 175.30 176.46 1nji n TYR 18 N -1.44 0.00 0.00 -0.53 0.53 -1.26 -4.91 117.16 109.55 1nji n TYR 18 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.80 1nji n TYR 18 Cb 0.57 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.84 1nji n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nji n GLY 19 N -1.17 0.39 0.00 2.72 0.00 -1.26 -4.54 105.19 101.33 1nji n GLY 19 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1nji n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nji n LEU 20 N -0.75 0.00 -0.19 0.99 4.77 -1.26 -2.92 117.00 117.64 1nji n LEU 20 Ca 0.00 0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 56.87 1nji n LEU 20 Cb 0.00 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1nji n LEU 20 CO 0.00 -0.42 0.67 0.11 -1.33 0.00 0.00 177.39 176.42 1nji h LYS 21 N 0.00 -0.11 -0.24 3.23 1.57 -1.98 0.54 116.57 119.58 1nji h LYS 21 Ca 0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1nji h LYS 21 Cb 0.00 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 1nji h LYS 21 CO 0.00 -0.07 -0.25 0.82 -0.57 0.00 0.00 179.45 179.38 1nji h ILE 22 N -0.12 0.38 0.00 1.86 2.04 -1.80 -1.69 117.51 118.19 1nji h ILE 22 Ca 0.25 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.06 1nji h ILE 22 Cb 0.52 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1nji h ILE 22 CO -0.64 0.00 -0.46 0.08 0.00 0.00 0.00 178.15 177.13 1nji h ARG 23 N -0.26 0.00 -0.47 2.37 0.11 -1.32 -2.69 114.38 112.12 1nji h ARG 23 Ca 0.13 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.12 1nji h ARG 23 Cb 0.47 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 1nji h ARG 23 CO -0.39 0.22 -0.09 0.28 0.10 0.00 0.00 179.97 180.10 1nji h VAL 24 N 0.00 1.26 0.00 0.08 2.07 -0.65 -1.77 116.25 117.24 1nji h VAL 24 Ca -0.02 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.22 1nji h VAL 24 Cb 1.20 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1nji h VAL 24 CO 0.03 0.40 -0.60 0.03 0.02 0.00 0.00 177.57 177.45 1nji h ARG 25 N 0.75 0.00 -0.16 1.57 3.08 -1.28 -0.83 114.38 117.51 1nji h ARG 25 Ca 0.13 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 1nji h ARG 25 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1nji h ARG 25 CO 0.04 0.60 -0.67 0.28 -1.07 0.00 0.00 179.97 179.14 1nji h VAL 26 N 0.00 1.32 -0.07 2.04 2.07 -1.19 -0.32 116.25 120.09 1nji h VAL 26 Ca -0.01 -1.94 -0.03 0.00 0.82 0.00 0.00 66.70 65.54 1nji h VAL 26 Cb 1.21 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1nji h VAL 26 CO 0.08 0.61 -0.07 0.00 0.02 0.00 0.00 177.57 178.20 1nji h ALA 27 N 0.80 0.10 0.20 1.67 0.00 -1.24 -0.06 119.26 120.73 1nji h ALA 27 Ca -0.02 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1nji h ALA 27 Cb 1.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1nji h ALA 27 CO 0.13 -0.08 -0.34 -0.44 0.00 0.00 0.00 179.25 178.52 1nji h ASP 28 N -0.26 -0.97 -0.47 0.00 5.19 -1.11 0.40 116.42 119.20 1nji h ASP 28 Ca 0.01 0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.56 1nji h ASP 28 Cb 0.59 0.35 -0.04 0.00 0.18 0.00 0.00 39.33 40.41 1nji h ASP 28 CO 0.02 -0.45 0.23 0.58 -3.12 0.00 0.00 179.24 176.50 1nji h VAL 29 N -0.62 0.95 0.00 -1.35 2.07 -1.08 -2.62 116.25 113.61 1nji h VAL 29 Ca 0.01 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1nji h VAL 29 Cb 0.62 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1nji h VAL 29 CO -0.15 0.08 -0.35 -0.33 0.02 0.00 0.00 177.57 176.84 1nji h GLU 30 N 0.45 0.00 0.02 1.57 5.08 -0.61 0.24 114.58 121.33 1nji h GLU 30 Ca 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1nji h GLU 30 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1nji h GLU 30 CO -0.15 0.35 -0.01 0.97 -1.00 0.00 0.00 179.01 179.17 1nji h ILE 31 N 0.00 1.34 -0.43 3.13 2.10 0.06 0.14 117.51 123.86 1nji h ILE 31 Ca -0.00 -1.12 0.06 0.00 1.08 0.00 0.00 64.86 64.87 1nji h ILE 31 Cb 0.95 2.09 -0.05 0.00 -1.09 0.00 0.00 36.82 38.72 1nji h ILE 31 CO 0.05 0.29 0.12 0.11 -1.08 0.00 0.00 178.15 177.63 1nji h LYS 32 N -0.52 0.26 -0.79 2.19 1.57 -1.42 -1.26 116.57 116.60 1nji h LYS 32 Ca -0.00 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 1nji h LYS 32 Cb 0.49 -0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.61 1nji h LYS 32 CO 0.00 0.17 0.12 1.25 -0.57 0.00 0.00 179.45 180.43 1nji h HIS 33 N 0.27 0.16 -0.18 -1.35 2.76 -0.80 -1.47 115.15 114.53 1nji h HIS 33 Ca 0.20 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1nji h HIS 33 Cb 0.22 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1nji h HIS 33 CO -0.18 -0.19 0.00 1.63 -1.30 0.00 0.00 177.93 177.89 1nji n LYS 34 N -5.26 2.01 -0.81 5.26 5.02 0.02 -4.76 118.16 119.65 1nji n LYS 34 Ca 0.16 -1.51 -0.30 0.00 -2.02 0.00 0.00 58.31 54.64 1nji n LYS 34 Cb 0.54 -1.45 0.17 0.00 -0.02 0.00 0.00 35.03 34.27 1nji n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nji s LYS 35 N -1.78 0.82 0.17 1.97 1.02 -0.56 -4.94 119.74 116.45 1nji s LYS 35 Ca 0.34 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 1nji s LYS 35 Cb 0.20 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.71 1nji s LYS 35 CO 0.29 -2.67 1.13 0.15 -0.92 0.00 0.00 175.35 173.33 1nji s LYS 36 N -4.68 4.56 -0.02 1.68 1.02 -1.26 -4.96 119.74 116.07 1nji s LYS 36 Ca 0.66 1.76 0.08 0.00 0.02 0.00 0.00 55.97 58.48 1nji s LYS 36 Cb -0.22 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1nji s LYS 36 CO 0.59 0.01 -0.25 -1.01 -0.92 0.00 0.00 175.35 173.77 1nji s HIS 37 N -0.11 2.30 -0.30 3.18 3.76 -1.25 -4.99 115.29 117.89 1nji s HIS 37 Ca 0.51 -0.45 -0.27 0.00 -0.15 0.00 0.00 55.06 54.69 1nji s HIS 37 Cb -0.30 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 31.92 1nji s HIS 37 CO 0.35 -0.05 0.97 0.15 -0.85 0.00 0.00 174.74 175.31 1nji s LYS 38 N -0.56 4.07 0.25 1.40 1.02 -1.26 -1.88 119.74 122.78 1nji s LYS 38 Ca 0.09 0.97 -0.31 0.00 0.02 0.00 0.00 55.97 56.74 1nji s LYS 38 Cb -0.10 -3.71 -0.12 0.00 -0.52 0.00 0.00 37.83 33.37 1nji s LYS 38 CO -0.01 -0.77 1.57 0.00 -0.92 0.00 0.00 175.35 175.22 1nji h PRO 40 N 5.09 0.98 0.00 0.00 0.11 -1.95 -3.35 132.00 132.88 1nji h PRO 40 Ca -0.46 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.25 1nji h PRO 40 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nji h PRO 40 CO 0.82 1.07 0.00 0.28 -0.21 0.00 0.00 178.00 179.96 1nji n VAL 41 N -4.15 0.00 -0.28 3.15 0.31 -1.26 -4.82 118.33 111.28 1nji n VAL 41 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 64.34 65.13 1nji n VAL 41 Cb 0.43 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1nji n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nji n GLY 43 N 4.70 0.59 3.77 0.00 0.00 -1.26 -4.55 105.19 108.44 1nji n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1nji n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nji s PHE 44 N -0.45 2.90 -1.50 1.61 0.40 -1.26 -4.43 117.98 115.25 1nji s PHE 44 Ca 0.00 1.51 -0.08 0.00 -0.60 0.00 0.00 56.93 57.76 1nji s PHE 44 Cb 0.00 -3.47 -0.00 0.00 0.51 0.00 0.00 43.02 40.06 1nji s PHE 44 CO 0.00 -1.63 2.72 1.63 0.70 0.00 0.00 175.22 178.63 1nji n LYS 45 N -0.18 4.07 -2.16 0.44 5.02 -1.26 -0.30 118.16 123.79 1nji n LYS 45 Ca 0.06 -2.73 -0.16 0.00 -2.02 0.00 0.00 58.31 53.46 1nji n LYS 45 Cb 0.46 -2.74 0.04 0.00 -0.02 0.00 0.00 35.03 32.77 1nji n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nji n LYS 46 N 2.84 2.95 -3.57 1.97 5.02 -1.00 -4.28 118.16 122.08 1nji n LYS 46 Ca 0.72 -3.91 -0.37 0.00 -2.02 0.00 0.00 58.31 52.73 1nji n LYS 46 Cb 0.24 -2.03 -0.09 0.00 -0.02 0.00 0.00 35.03 33.13 1nji n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nji s LEU 47 N -3.57 4.12 0.09 -0.35 1.43 -0.79 -1.07 118.68 118.55 1nji s LEU 47 Ca 0.44 0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 1nji s LEU 47 Cb 0.38 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1nji s LEU 47 CO 0.01 0.01 -0.18 -0.54 0.23 0.00 0.00 176.35 175.88 1nji s LYS 48 N 1.18 1.02 0.04 1.70 1.02 0.11 -3.75 119.74 121.06 1nji s LYS 48 Ca 0.11 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1nji s LYS 48 Cb -0.14 -1.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1nji s LYS 48 CO 0.06 0.27 1.30 0.50 -0.92 0.00 0.00 175.35 176.55 1nji s ARG 49 N -1.88 4.35 0.03 1.68 3.52 -1.26 -1.32 118.95 124.07 1nji s ARG 49 Ca 0.04 1.87 0.22 0.00 -0.13 0.00 0.00 55.73 57.73 1nji s ARG 49 Cb -0.10 -3.42 -0.19 0.00 -1.56 0.00 0.00 34.95 29.68 1nji s ARG 49 CO 0.04 -0.41 0.73 0.00 -0.81 0.00 0.00 175.30 174.84 1nji n ALA 50 N 4.52 3.10 0.00 6.12 0.00 0.34 -4.94 120.51 129.66 1nji n ALA 50 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1nji n ALA 50 Cb 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1nji n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 51 N 1.30 -1.30 3.59 0.00 0.00 -1.11 -4.97 105.19 102.69 1nji n GLY 51 Ca -0.01 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1nji n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nji n THR 52 N 3.92 0.36 -0.91 2.61 -1.04 -1.26 -1.67 114.28 116.28 1nji n THR 52 Ca 0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1nji n THR 52 Cb 0.00 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 1nji n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nji n GLY 53 N 5.75 0.62 3.35 3.41 0.00 -1.22 -4.99 105.19 112.10 1nji n GLY 53 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1nji n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nji s ILE 54 N -2.75 3.44 0.17 -0.61 1.01 -0.67 -1.60 121.20 120.20 1nji s ILE 54 Ca 0.00 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1nji s ILE 54 Cb 0.00 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1nji s ILE 54 CO 0.00 0.44 -0.23 0.26 0.00 0.00 0.00 174.94 175.41 1nji s TRP 55 N 1.23 2.14 -0.06 3.97 0.52 -0.20 0.13 118.94 126.66 1nji s TRP 55 Ca 0.03 -0.39 -0.15 0.00 0.02 0.00 0.00 56.10 55.60 1nji s TRP 55 Cb -0.14 -1.08 0.03 0.00 -1.15 0.00 0.00 33.47 31.12 1nji s TRP 55 CO -0.01 0.42 0.36 1.41 0.02 0.00 0.00 176.95 179.14 1nji s MET 56 N -2.58 0.61 -0.30 4.98 1.75 -0.44 0.51 119.30 123.84 1nji s MET 56 Ca 0.18 0.10 -0.19 0.00 -1.25 0.00 0.00 55.69 54.53 1nji s MET 56 Cb -0.08 0.28 -0.02 0.00 2.84 0.00 0.00 34.83 37.86 1nji s MET 56 CO 0.08 -0.14 0.55 0.00 -0.65 0.00 0.00 175.02 174.85 1nji n GLY 58 N 4.53 -1.27 0.04 0.00 0.00 -0.23 0.98 105.19 109.24 1nji n GLY 58 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1nji n GLY 58 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nji h HIS 59 N 0.00 0.00 0.00 1.61 6.17 -1.92 -3.41 115.15 117.61 1nji h HIS 59 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1nji h HIS 59 Cb 0.39 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1nji h HIS 59 CO 0.00 0.00 -1.08 0.00 0.71 0.00 0.00 177.93 177.56 1nji n GLY 61 N 1.47 1.52 3.60 0.00 0.00 0.28 -5.01 105.19 107.05 1nji n GLY 61 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 1nji n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nji n TYR 62 N -2.00 1.62 -3.92 1.61 9.36 -1.25 -4.49 117.16 118.09 1nji n TYR 62 Ca 0.00 0.59 -0.35 0.00 3.32 0.00 0.00 57.90 61.46 1nji n TYR 62 Cb 0.00 -2.36 -0.14 0.00 -0.63 0.00 0.00 39.34 36.21 1nji n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1nji s LYS 63 N 0.56 2.66 0.25 2.98 2.20 -1.26 -0.33 119.74 126.79 1nji s LYS 63 Ca 0.84 -1.11 0.09 0.00 -0.36 0.00 0.00 55.97 55.43 1nji s LYS 63 Cb -0.92 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1nji s LYS 63 CO 0.46 -0.51 0.03 0.96 -0.36 0.00 0.00 175.35 175.93 1nji s ILE 64 N 1.30 3.65 -0.18 5.43 -4.36 0.18 -4.96 121.20 122.27 1nji s ILE 64 Ca -0.02 -1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 58.48 1nji s ILE 64 Cb -0.18 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1nji s ILE 64 CO -0.02 -0.33 0.31 0.00 0.24 0.00 0.00 174.94 175.14 1nji s ALA 65 N -2.19 3.58 0.00 2.27 0.00 -1.26 -1.04 121.76 123.12 1nji s ALA 65 Ca 0.31 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1nji s ALA 65 Cb -0.07 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1nji s ALA 65 CO 0.20 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1nji n GLY 66 N 3.67 4.53 1.44 0.00 0.00 -0.62 -4.95 105.19 109.26 1nji n GLY 66 Ca -0.11 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1nji n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 67 N 0.00 -2.63 0.13 -0.02 0.00 0.19 -4.68 105.19 98.19 1nji n GLY 67 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 1nji n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n TYR 69 N -3.65 0.00 -3.83 0.00 4.02 -1.26 -3.71 117.16 108.73 1nji n TYR 69 Ca -0.15 -0.23 -0.12 0.00 -0.01 0.00 0.00 57.90 57.38 1nji n TYR 69 Cb 1.08 -0.02 -0.11 0.00 -0.02 0.00 0.00 39.34 40.26 1nji n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1nji s GLN 70 N -0.47 0.30 0.36 -0.72 -0.21 -1.26 -3.75 119.66 113.90 1nji s GLN 70 Ca 0.00 0.03 0.11 0.00 0.02 0.00 0.00 55.36 55.52 1nji s GLN 70 Cb 0.00 0.13 0.68 0.00 1.00 0.00 0.00 33.01 34.82 1nji s GLN 70 CO 0.00 -0.05 1.81 -1.00 -2.12 0.00 0.00 175.29 173.93 1nji h PRO 71 N 5.34 0.08 -5.70 2.91 0.13 -1.93 0.55 132.00 133.38 1nji h PRO 71 Ca -0.27 -0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.23 1nji h PRO 71 Cb 1.20 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 1nji h PRO 71 CO 0.40 0.42 -0.85 -1.21 -0.23 0.00 0.00 178.00 176.53 1nji s GLU 72 N -4.25 1.87 0.16 0.86 2.02 -1.26 -2.87 118.70 115.22 1nji s GLU 72 Ca -0.03 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.31 1nji s GLU 72 Cb 0.14 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1nji s GLU 72 CO 0.74 0.34 0.02 0.95 0.02 0.00 0.00 175.26 177.33 1nji s THR 73 N -0.20 3.85 0.52 3.63 -4.23 -1.26 -4.80 115.64 113.16 1nji s THR 73 Ca 0.01 -1.32 0.32 0.00 -1.18 0.00 0.00 61.69 59.51 1nji s THR 73 Cb -0.10 -2.93 0.50 0.00 1.34 0.00 0.00 72.50 71.30 1nji s THR 73 CO 0.01 -0.08 1.84 0.58 -0.54 0.00 0.00 174.62 176.44 1nji h VAL 74 N 2.46 0.50 0.17 2.29 2.07 -2.00 -0.12 116.25 121.61 1nji h VAL 74 Ca -0.47 -0.02 -0.29 0.00 0.82 0.00 0.00 66.70 66.73 1nji h VAL 74 Cb 1.20 0.44 0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1nji h VAL 74 CO 0.59 0.01 -1.31 0.00 0.02 0.00 0.00 177.57 176.88 1nji h ALA 75 N 1.51 0.01 -0.08 1.67 0.00 -2.01 -3.17 119.26 117.19 1nji h ALA 75 Ca 0.50 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1nji h ALA 75 Cb 1.87 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1nji h ALA 75 CO -0.04 0.86 -0.04 0.78 0.00 0.00 0.00 179.25 180.81 1nji h GLY 76 N 1.06 0.13 1.30 0.00 0.00 -1.42 -2.21 103.07 101.93 1nji h GLY 76 Ca -0.18 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1nji h GLY 76 CO 0.23 0.06 -0.55 0.50 0.00 0.00 0.00 176.54 176.78 1nji h LYS 77 N 0.12 0.74 -0.18 4.80 1.57 -1.51 -2.92 116.57 119.19 1nji h LYS 77 Ca 0.03 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1nji h LYS 77 Cb 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1nji h LYS 77 CO 0.01 1.09 0.07 0.00 -0.57 0.00 0.00 179.45 180.05 1nji h ALA 78 N 0.81 1.79 -0.00 3.86 0.00 -1.37 -2.82 119.26 121.53 1nji h ALA 78 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nji h ALA 78 Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nji h ALA 78 CO 0.11 0.17 0.00 0.28 0.00 0.00 0.00 179.25 179.82 1nji h VAL 79 N 0.25 1.03 -0.77 0.00 2.07 -1.33 -2.74 116.25 114.75 1nji h VAL 79 Ca 0.06 -0.10 0.16 0.00 0.82 0.00 0.00 66.70 67.65 1nji h VAL 79 Cb 0.05 1.09 -0.14 0.00 -1.52 0.00 0.00 31.29 30.77 1nji h VAL 79 CO -0.01 0.03 -0.14 0.24 0.02 0.00 0.00 177.57 177.71 1nji h MET 80 N -0.03 0.02 0.00 1.57 2.07 -1.53 -3.13 114.93 113.91 1nji h MET 80 Ca 0.00 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1nji h MET 80 Cb 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.77 1nji h MET 80 CO -0.00 0.01 0.00 1.63 1.07 0.00 0.00 176.91 179.62 1nji n LYS 81 N -5.47 0.00 0.00 1.72 5.02 -1.07 -5.17 118.16 113.20 1nji n LYS 81 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1nji n LYS 81 Cb 0.43 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 1nji n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88