#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 n THR 11 N 0.00 0.85 0.25 8.89 -1.04 -1.26 -3.45 114.28 118.52 1jj2 n THR 11 Ca 0.00 0.21 0.17 0.00 -2.04 0.00 0.00 64.05 62.39 1jj2 n THR 11 Cb 0.00 -1.04 0.89 0.00 -1.82 0.00 0.00 70.33 68.35 1jj2 n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1jj2 h GLY 12 N 1.71 0.00 2.00 3.41 0.00 -1.94 -0.93 103.07 107.32 1jj2 h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jj2 h GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1jj2 h ARG 13 N 0.00 0.00 -0.00 4.80 0.11 -2.04 -2.66 114.38 114.59 1jj2 h ARG 13 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1jj2 h ARG 13 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1jj2 h ARG 13 CO -0.00 0.00 -0.03 1.19 0.10 0.00 0.00 179.97 181.23 1jj2 n PHE 14 N -2.69 0.00 -3.29 4.08 0.99 -0.35 -5.03 117.46 111.16 1jj2 n PHE 14 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1jj2 n PHE 14 Cb 0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.60 1jj2 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jj2 n GLY 15 N 1.13 1.92 1.39 1.37 0.00 -1.01 -2.00 105.19 108.00 1jj2 n GLY 15 Ca 0.20 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 1jj2 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jj2 n PRO 16 N 9.32 2.85 -3.67 1.61 -0.04 -1.26 -4.94 135.00 138.87 1jj2 n PRO 16 Ca 0.00 -1.76 -0.23 0.00 -0.04 0.00 0.00 63.50 61.47 1jj2 n PRO 16 Cb 0.00 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1jj2 n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jj2 s ARG 17 N -1.96 3.46 0.00 0.54 0.52 -0.85 -4.65 118.95 116.02 1jj2 s ARG 17 Ca 0.31 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1jj2 s ARG 17 Cb 0.24 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1jj2 s ARG 17 CO 0.08 0.29 0.00 0.66 0.02 0.00 0.00 175.30 176.35 1jj2 n TYR 18 N -1.57 0.00 0.00 -0.53 0.53 -1.26 -4.91 117.16 109.42 1jj2 n TYR 18 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 1jj2 n TYR 18 Cb 0.56 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.85 1jj2 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1jj2 n GLY 19 N -1.57 0.07 0.22 2.72 0.00 -1.26 -4.56 105.19 100.80 1jj2 n GLY 19 Ca 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1jj2 n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jj2 h LEU 20 N 0.00 -0.57 -0.24 0.99 3.38 -1.99 -3.01 115.31 113.88 1jj2 h LEU 20 Ca 0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1jj2 h LEU 20 Cb 0.00 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1jj2 h LEU 20 CO 0.00 -0.30 -0.21 0.11 0.09 0.00 0.00 178.44 178.13 1jj2 h LYS 21 N -0.46 -0.20 -0.32 1.13 1.57 -1.98 0.26 116.57 116.56 1jj2 h LYS 21 Ca -0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1jj2 h LYS 21 Cb 0.39 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 1jj2 h LYS 21 CO -0.00 -0.14 -0.16 0.82 -0.57 0.00 0.00 179.45 179.40 1jj2 h ILE 22 N -0.21 0.52 0.00 1.86 2.04 -1.80 -1.43 117.51 118.48 1jj2 h ILE 22 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1jj2 h ILE 22 Cb 0.42 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1jj2 h ILE 22 CO -0.36 0.00 -0.47 0.08 0.00 0.00 0.00 178.15 177.40 1jj2 h ARG 23 N -0.11 0.00 -0.37 2.37 0.11 -1.35 -2.70 114.38 112.33 1jj2 h ARG 23 Ca 0.17 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.12 1jj2 h ARG 23 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1jj2 h ARG 23 CO -0.39 0.07 -0.29 0.28 0.10 0.00 0.00 179.97 179.74 1jj2 h VAL 24 N 0.00 1.28 -0.01 0.08 2.07 -0.18 -2.17 116.25 117.32 1jj2 h VAL 24 Ca -0.01 -1.43 -0.17 0.00 0.82 0.00 0.00 66.70 65.91 1jj2 h VAL 24 Cb 1.07 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1jj2 h VAL 24 CO 0.01 0.47 -0.75 0.03 0.02 0.00 0.00 177.57 177.35 1jj2 h ARG 25 N 0.68 0.12 -0.53 1.57 3.08 -1.29 -1.44 114.38 116.56 1jj2 h ARG 25 Ca 0.08 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1jj2 h ARG 25 Cb 0.82 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1jj2 h ARG 25 CO 0.07 0.82 -0.10 0.28 -1.07 0.00 0.00 179.97 179.97 1jj2 h VAL 26 N 0.08 1.27 -0.21 2.04 2.07 -1.34 0.29 116.25 120.44 1jj2 h VAL 26 Ca -0.02 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 1jj2 h VAL 26 Cb 1.33 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1jj2 h VAL 26 CO 0.11 0.44 -0.13 0.00 0.02 0.00 0.00 177.57 178.01 1jj2 h ALA 27 N 0.99 0.30 0.31 1.67 0.00 -1.34 -0.72 119.26 120.47 1jj2 h ALA 27 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jj2 h ALA 27 Cb 0.65 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jj2 h ALA 27 CO 0.05 0.16 -0.19 -0.44 0.00 0.00 0.00 179.25 178.83 1jj2 h ASP 28 N 0.15 -0.46 0.04 0.00 5.19 -1.13 0.29 116.42 120.49 1jj2 h ASP 28 Ca 0.04 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1jj2 h ASP 28 Cb 0.63 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1jj2 h ASP 28 CO 0.04 -0.30 -0.03 0.58 -3.12 0.00 0.00 179.24 176.41 1jj2 h VAL 29 N -0.47 0.93 0.00 -1.35 2.07 -0.98 -2.76 116.25 113.69 1jj2 h VAL 29 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1jj2 h VAL 29 Cb 0.39 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1jj2 h VAL 29 CO 0.03 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 176.95 1jj2 h GLU 30 N -0.07 0.00 -0.17 1.57 5.08 -1.04 -0.08 114.58 119.87 1jj2 h GLU 30 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1jj2 h GLU 30 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1jj2 h GLU 30 CO -0.01 0.35 -0.05 0.97 -1.00 0.00 0.00 179.01 179.27 1jj2 h ILE 31 N 0.00 1.29 -0.51 3.13 2.10 -0.26 0.11 117.51 123.37 1jj2 h ILE 31 Ca -0.00 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.90 1jj2 h ILE 31 Cb 0.70 1.62 -0.02 0.00 -1.09 0.00 0.00 36.82 38.02 1jj2 h ILE 31 CO 0.05 0.31 0.32 0.11 -1.08 0.00 0.00 178.15 177.86 1jj2 h LYS 32 N 0.05 0.68 -0.59 2.19 1.57 -1.38 -1.61 116.57 117.48 1jj2 h LYS 32 Ca 0.04 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1jj2 h LYS 32 Cb 0.50 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 1jj2 h LYS 32 CO 0.02 0.47 -0.05 1.25 -0.57 0.00 0.00 179.45 180.57 1jj2 h HIS 33 N 0.69 -0.13 -0.01 -1.35 2.76 -0.78 -2.22 115.15 114.10 1jj2 h HIS 33 Ca 0.18 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1jj2 h HIS 33 Cb -0.05 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1jj2 h HIS 33 CO -0.03 -0.19 -0.14 1.63 -1.30 0.00 0.00 177.93 177.90 1jj2 n LYS 34 N -5.32 0.99 -0.77 5.26 5.02 0.36 -4.76 118.16 118.94 1jj2 n LYS 34 Ca 0.08 -0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 55.56 1jj2 n LYS 34 Cb 0.33 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 34.01 1jj2 n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jj2 s LYS 35 N -2.35 1.17 0.18 1.97 1.02 -0.64 -4.93 119.74 116.15 1jj2 s LYS 35 Ca 0.30 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.50 1jj2 s LYS 35 Cb 0.20 -1.75 -0.08 0.00 -0.52 0.00 0.00 37.83 35.68 1jj2 s LYS 35 CO 0.46 -2.52 1.25 0.15 -0.92 0.00 0.00 175.35 173.77 1jj2 s LYS 36 N -4.67 4.44 -0.03 1.68 1.02 -1.26 -4.97 119.74 115.96 1jj2 s LYS 36 Ca 0.66 1.95 0.07 0.00 0.02 0.00 0.00 55.97 58.66 1jj2 s LYS 36 Cb -0.22 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1jj2 s LYS 36 CO 0.58 -0.17 -0.22 -1.01 -0.92 0.00 0.00 175.35 173.60 1jj2 s HIS 37 N 0.11 2.45 -0.40 3.18 3.76 -1.25 -5.00 115.29 118.14 1jj2 s HIS 37 Ca 0.55 -0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 54.82 1jj2 s HIS 37 Cb -0.34 -1.55 0.02 0.00 1.11 0.00 0.00 32.58 31.82 1jj2 s HIS 37 CO 0.37 0.01 0.92 0.15 -0.85 0.00 0.00 174.74 175.34 1jj2 s LYS 38 N -0.60 3.72 0.26 1.40 1.02 -1.26 -2.06 119.74 122.22 1jj2 s LYS 38 Ca 0.09 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 1jj2 s LYS 38 Cb -0.11 -3.85 -0.14 0.00 -0.52 0.00 0.00 37.83 33.22 1jj2 s LYS 38 CO -0.00 -1.05 1.29 0.00 -0.92 0.00 0.00 175.35 174.66 1jj2 h PRO 40 N 3.40 0.91 0.00 0.00 0.11 -1.95 -3.36 132.00 131.12 1jj2 h PRO 40 Ca -0.44 -0.52 0.00 0.00 0.11 0.00 0.00 66.00 65.15 1jj2 h PRO 40 Cb 1.30 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1jj2 h PRO 40 CO 0.70 1.17 0.00 0.28 -0.21 0.00 0.00 178.00 179.94 1jj2 n VAL 41 N -4.04 0.00 -0.41 3.15 0.31 -1.26 -4.82 118.33 111.26 1jj2 n VAL 41 Ca -0.03 0.82 0.00 0.00 -0.01 0.00 0.00 64.34 65.12 1jj2 n VAL 41 Cb 0.58 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1jj2 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jj2 n GLY 43 N 5.00 0.80 3.77 0.00 0.00 -1.26 -4.56 105.19 108.94 1jj2 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jj2 n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jj2 s PHE 44 N -0.51 2.92 -1.44 1.61 0.40 -1.26 -4.44 117.98 115.26 1jj2 s PHE 44 Ca 0.00 1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 57.76 1jj2 s PHE 44 Cb 0.00 -3.43 0.05 0.00 0.51 0.00 0.00 43.02 40.15 1jj2 s PHE 44 CO 0.00 -1.55 2.42 1.63 0.70 0.00 0.00 175.22 178.43 1jj2 n LYS 45 N -0.25 3.70 -1.83 0.44 5.02 -1.26 -0.56 118.16 123.43 1jj2 n LYS 45 Ca 0.06 -2.88 -0.04 0.00 -2.02 0.00 0.00 58.31 53.44 1jj2 n LYS 45 Cb 0.47 -2.90 0.07 0.00 -0.02 0.00 0.00 35.03 32.64 1jj2 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jj2 n LYS 46 N 3.80 1.73 -3.44 1.97 5.02 -0.97 -4.42 118.16 121.86 1jj2 n LYS 46 Ca 0.60 -3.25 -0.38 0.00 -2.02 0.00 0.00 58.31 53.27 1jj2 n LYS 46 Cb 0.30 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 1jj2 n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jj2 s LEU 47 N -2.68 4.15 0.08 -0.35 1.43 -0.88 -1.09 118.68 119.34 1jj2 s LEU 47 Ca 0.37 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.98 1jj2 s LEU 47 Cb 0.37 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1jj2 s LEU 47 CO -0.06 -0.05 -0.19 -0.54 0.23 0.00 0.00 176.35 175.74 1jj2 s LYS 48 N 1.27 1.09 0.20 1.70 1.02 0.56 -3.79 119.74 121.78 1jj2 s LYS 48 Ca 0.17 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1jj2 s LYS 48 Cb -0.14 -1.25 -0.09 0.00 -0.52 0.00 0.00 37.83 35.83 1jj2 s LYS 48 CO 0.07 0.30 1.31 0.50 -0.92 0.00 0.00 175.35 176.61 1jj2 s ARG 49 N -1.68 4.39 -0.02 1.68 3.52 -1.26 -1.12 118.95 124.45 1jj2 s ARG 49 Ca 0.04 2.06 0.17 0.00 -0.13 0.00 0.00 55.73 57.87 1jj2 s ARG 49 Cb -0.10 -3.20 -0.24 0.00 -1.56 0.00 0.00 34.95 29.86 1jj2 s ARG 49 CO 0.03 -0.26 0.48 0.00 -0.81 0.00 0.00 175.30 174.74 1jj2 n ALA 50 N 2.66 3.09 0.00 6.12 0.00 0.22 -4.90 120.51 127.70 1jj2 n ALA 50 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1jj2 n ALA 50 Cb 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1jj2 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 51 N 1.48 -1.18 3.60 0.00 0.00 -1.15 -4.98 105.19 102.97 1jj2 n GLY 51 Ca -0.01 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1jj2 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jj2 s THR 52 N -3.00 3.07 0.00 2.61 2.01 -1.26 -1.94 115.64 117.13 1jj2 s THR 52 Ca 0.00 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1jj2 s THR 52 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1jj2 s THR 52 CO 0.00 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1jj2 n GLY 53 N 5.75 0.50 3.39 4.40 0.00 -1.22 -4.97 105.19 113.04 1jj2 n GLY 53 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1jj2 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jj2 s ILE 54 N -2.31 3.62 0.08 -0.61 1.01 -0.82 -1.66 121.20 120.52 1jj2 s ILE 54 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.31 1jj2 s ILE 54 Cb 0.00 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1jj2 s ILE 54 CO 0.00 0.45 -0.23 0.26 0.00 0.00 0.00 174.94 175.41 1jj2 s TRP 55 N 1.02 2.02 -0.03 3.97 0.52 -0.27 0.70 118.94 126.88 1jj2 s TRP 55 Ca 0.01 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.66 1jj2 s TRP 55 Cb -0.15 -1.15 0.01 0.00 -1.15 0.00 0.00 33.47 31.03 1jj2 s TRP 55 CO 0.01 0.19 0.17 1.41 0.02 0.00 0.00 176.95 178.75 1jj2 s MET 56 N -1.62 0.39 -0.27 4.98 1.75 -0.28 0.10 119.30 124.35 1jj2 s MET 56 Ca 0.10 -0.12 -0.16 0.00 -1.25 0.00 0.00 55.69 54.25 1jj2 s MET 56 Cb -0.10 0.17 -0.03 0.00 2.84 0.00 0.00 34.83 37.71 1jj2 s MET 56 CO 0.04 -0.08 0.44 0.00 -0.65 0.00 0.00 175.02 174.76 1jj2 n GLY 58 N 4.58 -1.25 0.05 0.00 0.00 -0.25 0.59 105.19 108.91 1jj2 n GLY 58 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1jj2 n GLY 58 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1jj2 h HIS 59 N 0.00 0.00 -0.00 1.61 6.17 -1.93 -3.41 115.15 117.59 1jj2 h HIS 59 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1jj2 h HIS 59 Cb 0.38 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1jj2 h HIS 59 CO 0.00 0.00 -0.72 0.00 0.71 0.00 0.00 177.93 177.92 1jj2 n GLY 61 N 1.36 1.45 3.70 0.00 0.00 0.20 -5.01 105.19 106.90 1jj2 n GLY 61 Ca 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.51 1jj2 n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jj2 n TYR 62 N -2.00 2.11 -3.68 1.61 9.36 -1.25 -4.47 117.16 118.84 1jj2 n TYR 62 Ca 0.00 0.41 -0.38 0.00 3.32 0.00 0.00 57.90 61.25 1jj2 n TYR 62 Cb 0.00 -2.51 -0.12 0.00 -0.63 0.00 0.00 39.34 36.08 1jj2 n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1jj2 s LYS 63 N 3.58 3.34 0.29 2.98 2.20 -1.26 -1.15 119.74 129.72 1jj2 s LYS 63 Ca 0.97 -0.71 0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1jj2 s LYS 63 Cb -0.98 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 31.79 1jj2 s LYS 63 CO 0.62 -0.39 -0.02 0.96 -0.36 0.00 0.00 175.35 176.16 1jj2 s ILE 64 N 1.60 3.13 -0.16 5.43 -4.36 0.29 -4.96 121.20 122.17 1jj2 s ILE 64 Ca 0.04 -1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 58.34 1jj2 s ILE 64 Cb -0.17 -2.77 -0.05 0.00 1.25 0.00 0.00 42.46 40.73 1jj2 s ILE 64 CO 0.05 -0.33 0.24 0.00 0.24 0.00 0.00 174.94 175.14 1jj2 s ALA 65 N -2.39 3.66 0.00 2.27 0.00 -1.26 -1.11 121.76 122.92 1jj2 s ALA 65 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1jj2 s ALA 65 Cb -0.05 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1jj2 s ALA 65 CO 0.19 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1jj2 n GLY 66 N 3.14 4.48 2.78 0.00 0.00 -0.66 -4.94 105.19 109.99 1jj2 n GLY 66 Ca -0.14 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 1jj2 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 67 N 0.00 -1.93 0.18 -0.02 0.00 0.20 -4.72 105.19 98.89 1jj2 n GLY 67 Ca 0.00 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 1jj2 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 n TYR 69 N -3.79 0.00 -3.83 0.00 4.02 -1.26 -3.63 117.16 108.67 1jj2 n TYR 69 Ca -0.12 -0.25 -0.12 0.00 -0.01 0.00 0.00 57.90 57.40 1jj2 n TYR 69 Cb 0.94 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 40.12 1jj2 n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1jj2 s GLN 70 N -0.51 0.28 0.37 -0.72 -0.21 -1.26 -3.69 119.66 113.92 1jj2 s GLN 70 Ca 0.00 0.07 0.12 0.00 0.02 0.00 0.00 55.36 55.58 1jj2 s GLN 70 Cb 0.00 0.13 0.71 0.00 1.00 0.00 0.00 33.01 34.85 1jj2 s GLN 70 CO 0.00 -0.05 1.82 -1.00 -2.12 0.00 0.00 175.29 173.94 1jj2 h PRO 71 N 5.45 0.01 -5.40 2.91 0.13 -1.94 0.58 132.00 133.75 1jj2 h PRO 71 Ca -0.27 -0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1jj2 h PRO 71 Cb 1.20 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1jj2 h PRO 71 CO 0.40 0.38 -0.84 -1.21 -0.23 0.00 0.00 178.00 176.50 1jj2 s GLU 72 N -4.19 1.91 0.26 0.86 2.02 -1.26 -3.06 118.70 115.25 1jj2 s GLU 72 Ca -0.03 -0.65 0.08 0.00 0.02 0.00 0.00 54.97 54.38 1jj2 s GLU 72 Cb 0.14 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 1jj2 s GLU 72 CO 0.73 0.26 0.16 0.95 0.02 0.00 0.00 175.26 177.38 1jj2 s THR 73 N 0.02 4.17 0.56 3.63 -4.23 -1.26 -4.81 115.64 113.72 1jj2 s THR 73 Ca -0.04 -1.51 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1jj2 s THR 73 Cb -0.12 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.79 1jj2 s THR 73 CO 0.03 -0.34 2.12 0.58 -0.54 0.00 0.00 174.62 176.46 1jj2 h VAL 74 N 1.55 0.64 0.13 2.29 2.07 -2.00 -2.15 116.25 118.78 1jj2 h VAL 74 Ca -0.47 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 66.73 1jj2 h VAL 74 Cb 1.24 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1jj2 h VAL 74 CO 0.61 0.00 -1.56 0.00 0.02 0.00 0.00 177.57 176.63 1jj2 h ALA 75 N 1.84 0.24 0.00 1.67 0.00 -2.00 -3.21 119.26 117.80 1jj2 h ALA 75 Ca 0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 54.91 53.86 1jj2 h ALA 75 Cb 0.40 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1jj2 h ALA 75 CO -0.00 1.11 -0.13 0.78 0.00 0.00 0.00 179.25 181.00 1jj2 h GLY 76 N 1.48 0.00 1.36 0.00 0.00 -1.79 -2.31 103.07 101.81 1jj2 h GLY 76 Ca -0.26 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 1jj2 h GLY 76 CO 0.17 0.00 -0.83 0.50 0.00 0.00 0.00 176.54 176.38 1jj2 h LYS 77 N 0.00 0.61 0.00 4.80 1.57 -1.55 -3.07 116.57 118.93 1jj2 h LYS 77 Ca -0.00 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1jj2 h LYS 77 Cb 0.27 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1jj2 h LYS 77 CO 0.02 1.16 -0.10 0.00 -0.57 0.00 0.00 179.45 179.96 1jj2 h ALA 78 N 0.67 1.80 0.22 3.86 0.00 -1.42 -2.83 119.26 121.57 1jj2 h ALA 78 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jj2 h ALA 78 Cb 1.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jj2 h ALA 78 CO 0.16 0.13 -0.11 0.28 0.00 0.00 0.00 179.25 179.71 1jj2 h VAL 79 N 0.00 0.79 -0.85 0.00 2.07 -1.40 -2.65 116.25 114.22 1jj2 h VAL 79 Ca -0.00 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 67.67 1jj2 h VAL 79 Cb 0.18 0.83 -0.15 0.00 -1.52 0.00 0.00 31.29 30.64 1jj2 h VAL 79 CO 0.01 0.01 0.08 0.24 0.02 0.00 0.00 177.57 177.94 1jj2 h MET 80 N -0.33 0.11 0.00 1.57 2.07 -1.55 -3.04 114.93 113.77 1jj2 h MET 80 Ca -0.03 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1jj2 h MET 80 Cb 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1jj2 h MET 80 CO 0.05 0.07 0.00 1.63 1.07 0.00 0.00 176.91 179.73 1jj2 n LYS 81 N -5.34 0.00 0.00 1.72 5.02 -1.11 -5.17 118.16 113.28 1jj2 n LYS 81 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1jj2 n LYS 81 Cb 0.60 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1jj2 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88