#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7b s VAL 2 N 0.00 4.65 0.18 1.61 0.11 -1.26 -2.95 120.40 122.75 1o7b s VAL 2 Ca 0.00 1.97 0.02 0.00 -2.93 0.00 0.00 61.98 61.04 1o7b s VAL 2 Cb 0.00 -4.26 -0.05 0.00 -1.53 0.00 0.00 36.38 30.54 1o7b s VAL 2 CO 0.00 0.19 0.02 -0.72 -3.33 0.00 0.00 175.10 171.26 1o7b s TYR 3 N 0.76 1.25 -0.14 1.54 1.13 0.27 -4.95 117.35 117.22 1o7b s TYR 3 Ca 0.52 -1.05 -0.07 0.00 -1.41 0.00 0.00 57.07 55.06 1o7b s TYR 3 Cb -0.23 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 1o7b s TYR 3 CO 0.29 -0.24 0.13 -3.38 -2.51 0.00 0.00 175.55 169.84 1o7b s HIS 4 N -3.68 3.53 0.01 -3.49 -3.43 -1.26 0.11 115.29 107.07 1o7b s HIS 4 Ca 0.26 0.46 -0.02 0.00 -0.80 0.00 0.00 55.06 54.96 1o7b s HIS 4 Cb 0.06 -1.98 -0.01 0.00 -1.43 0.00 0.00 32.58 29.22 1o7b s HIS 4 CO 0.05 0.61 0.02 1.03 -2.00 0.00 0.00 174.74 174.46 1o7b s ARG 5 N -0.69 0.26 0.00 -0.38 1.81 0.07 -4.91 118.95 115.10 1o7b s ARG 5 Ca 0.13 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.77 1o7b s ARG 5 Cb -0.12 0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.48 1o7b s ARG 5 CO 0.03 -0.05 0.00 -0.85 -0.68 0.00 0.00 175.30 173.75 1o7b n GLU 6 N 2.03 0.99 -2.33 3.54 0.00 -1.26 -1.19 120.64 122.41 1o7b n GLU 6 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.68 1o7b n GLU 6 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 31.44 32.03 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7b s ALA 7 N -2.49 3.26 0.50 -1.84 0.00 0.69 -4.87 121.76 117.00 1o7b s ALA 7 Ca 0.00 -0.50 0.30 0.00 0.00 0.00 0.00 51.96 51.75 1o7b s ALA 7 Cb 0.00 -2.72 1.68 0.00 0.00 0.00 0.00 23.12 22.08 1o7b s ALA 7 CO 0.00 -0.68 2.17 0.00 0.00 0.00 0.00 175.76 177.25 1o7b h ARG 8 N -0.13 0.00 0.01 0.00 -0.00 -1.99 -3.08 114.38 109.19 1o7b h ARG 8 Ca -0.46 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 58.71 1o7b h ARG 8 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.16 1o7b h ARG 8 CO 0.62 0.06 -1.71 -1.13 0.00 0.00 0.00 179.97 177.81 1o7b n SER 9 N -3.67 1.91 -1.70 7.04 3.41 -1.26 -5.08 113.62 114.26 1o7b n SER 9 Ca -0.02 0.37 -0.02 0.00 -0.26 0.00 0.00 58.87 58.93 1o7b n SER 9 Cb 0.16 -0.90 0.01 0.00 -0.26 0.00 0.00 64.21 63.22 1o7b n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o7b n GLY 10 N 1.44 1.41 3.92 5.00 0.00 -1.17 -5.17 105.19 110.62 1o7b n GLY 10 Ca -0.39 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 1o7b n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o7b s LYS 11 N -2.03 3.33 -1.02 1.61 2.20 -1.26 -0.22 119.74 122.34 1o7b s LYS 11 Ca 0.07 -0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 54.96 1o7b s LYS 11 Cb -0.01 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 1o7b s LYS 11 CO 0.03 0.50 0.89 0.66 -0.36 0.00 0.00 175.35 177.07 1o7b n TYR 12 N -0.60 -2.27 -1.64 4.03 4.02 -1.26 -4.92 117.16 114.52 1o7b n TYR 12 Ca -0.07 0.83 -0.02 0.00 -0.01 0.00 0.00 57.90 58.62 1o7b n TYR 12 Cb 0.54 -4.25 -0.02 0.00 -0.02 0.00 0.00 39.34 35.60 1o7b n TYR 12 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1o7b n LYS 13 N -3.33 0.00 -3.95 -0.72 2.85 -1.25 -4.67 118.16 107.10 1o7b n LYS 13 Ca -0.11 -0.31 -0.31 0.00 -1.05 0.00 0.00 58.31 56.52 1o7b n LYS 13 Cb 0.62 0.34 -0.05 0.00 -0.65 0.00 0.00 35.03 35.30 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1o7b s LEU 14 N 0.00 4.25 0.00 -5.58 1.43 -0.64 -4.81 118.68 113.33 1o7b s LEU 14 Ca 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1o7b s LEU 14 Cb 0.00 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1o7b s LEU 14 CO 0.00 0.19 0.00 0.35 0.23 0.00 0.00 176.35 177.12 1o7b n THR 15 N 0.43 0.00 -0.01 5.49 -2.24 -1.26 -1.90 114.28 114.79 1o7b n THR 15 Ca -0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1o7b n THR 15 Cb 0.51 -0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1o7b n THR 15 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7b h TYR 16 N 0.00 0.00 -0.66 4.78 3.20 -1.87 -2.43 116.97 120.00 1o7b h TYR 16 Ca 0.00 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.04 1o7b h TYR 16 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1o7b h TYR 16 CO 0.00 0.00 0.46 0.00 -1.64 0.00 0.00 178.16 176.98 1o7b h ALA 17 N -1.81 2.42 0.10 1.82 0.00 -1.99 -1.29 119.26 118.52 1o7b h ALA 17 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1o7b h ALA 17 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1o7b h ALA 17 CO 0.00 -0.61 -0.05 0.93 0.00 0.00 0.00 179.25 179.52 1o7b h GLU 18 N 0.14 -0.12 -0.93 0.00 5.08 -1.96 -2.78 114.58 114.00 1o7b h GLU 18 Ca 0.32 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.89 1o7b h GLU 18 Cb 1.06 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 1o7b h GLU 18 CO -0.04 0.38 0.60 0.00 -1.00 0.00 0.00 179.01 178.95 1o7b h ALA 19 N 0.03 2.11 0.25 3.43 0.00 -0.77 0.17 119.26 124.48 1o7b h ALA 19 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1o7b h ALA 19 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1o7b h ALA 19 CO 0.02 -0.41 -0.12 -0.22 0.00 0.00 0.00 179.25 178.52 1o7b h LYS 20 N 0.48 -0.33 -0.56 0.00 3.64 -1.26 -2.23 116.57 116.31 1o7b h LYS 20 Ca 0.49 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1o7b h LYS 20 Cb 1.12 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1o7b h LYS 20 CO -0.21 -0.03 0.32 0.00 -2.27 0.00 0.00 179.45 177.26 1o7b h ALA 21 N 0.01 0.71 -0.98 5.00 0.00 -1.01 -0.54 119.26 122.45 1o7b h ALA 21 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1o7b h ALA 21 Cb 0.45 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1o7b h ALA 21 CO 0.06 0.21 0.62 0.28 0.00 0.00 0.00 179.25 180.42 1o7b h VAL 22 N 0.75 0.91 0.44 0.00 2.07 -0.71 0.57 116.25 120.28 1o7b h VAL 22 Ca 0.20 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1o7b h VAL 22 Cb 0.02 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1o7b h VAL 22 CO -0.03 0.17 -0.21 0.00 0.02 0.00 0.00 177.57 177.52 1o7b n GLU 24 N -5.18 0.00 -0.12 0.00 1.02 0.75 -1.11 120.64 116.01 1o7b n GLU 24 Ca -0.08 0.38 -0.25 0.00 -0.02 0.00 0.00 57.16 57.18 1o7b n GLU 24 Cb 0.27 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1o7b n GLU 24 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1o7b n PHE 25 N -1.37 0.64 1.75 -0.32 7.35 0.16 -4.21 117.46 121.47 1o7b n PHE 25 Ca 0.00 0.28 0.01 0.00 -0.76 0.00 0.00 57.45 56.98 1o7b n PHE 25 Cb 0.06 -1.06 0.06 0.00 0.35 0.00 0.00 39.48 38.89 1o7b n PHE 25 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1o7b n GLU 26 N -4.36 0.87 -1.12 -4.13 1.02 -0.71 -4.84 120.64 107.37 1o7b n GLU 26 Ca -0.41 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1o7b n GLU 26 Cb 0.76 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1o7b n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7b n GLY 27 N 0.40 0.06 0.00 0.62 0.00 -0.86 -5.00 105.19 100.42 1o7b n GLY 27 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1o7b n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7b n GLY 28 N -0.78 -1.56 3.32 -0.02 0.00 -0.27 -4.46 105.19 101.42 1o7b n GLY 28 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1o7b n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7b s HIS 29 N -2.59 0.58 -0.27 1.61 -3.43 -0.79 -0.18 115.29 110.22 1o7b s HIS 29 Ca 0.00 -0.93 -0.28 0.00 -0.80 0.00 0.00 55.06 53.05 1o7b s HIS 29 Cb 0.00 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 30.94 1o7b s HIS 29 CO 0.00 -0.71 2.08 -0.51 -2.00 0.00 0.00 174.74 173.60 1o7b s LEU 30 N -3.02 3.45 0.00 5.38 1.43 -1.26 -0.83 118.68 123.84 1o7b s LEU 30 Ca 0.22 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 1o7b s LEU 30 Cb 0.04 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1o7b s LEU 30 CO 0.03 -1.92 0.00 0.00 0.23 0.00 0.00 176.35 174.70 1o7b n ALA 31 N 11.39 0.00 -2.26 4.21 0.00 -0.27 -4.56 120.51 129.02 1o7b n ALA 31 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 1o7b n ALA 31 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1o7b n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1o7b s THR 32 N -0.57 0.86 0.13 0.00 -4.23 -1.26 -3.46 115.64 107.11 1o7b s THR 32 Ca 0.00 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.26 1o7b s THR 32 Cb 0.00 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 1o7b s THR 32 CO 0.00 -0.54 1.64 0.22 -0.54 0.00 0.00 174.62 175.40 1o7b h TYR 33 N 2.69 -0.62 -0.56 3.99 3.20 -1.97 -0.26 116.97 123.44 1o7b h TYR 33 Ca -0.37 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.63 1o7b h TYR 33 Cb 1.20 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 39.68 1o7b h TYR 33 CO 0.57 -0.31 0.10 -0.22 -1.64 0.00 0.00 178.16 176.66 1o7b h LYS 34 N -0.31 0.22 -0.43 1.82 3.64 -2.01 0.18 116.57 119.68 1o7b h LYS 34 Ca 0.09 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1o7b h LYS 34 Cb 0.44 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1o7b h LYS 34 CO -0.27 0.15 0.29 1.96 -2.27 0.00 0.00 179.45 179.30 1o7b h GLN 35 N 0.23 0.51 -0.81 1.90 4.20 -1.77 -1.18 115.11 118.20 1o7b h GLN 35 Ca 0.29 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1o7b h GLN 35 Cb 0.42 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1o7b h GLN 35 CO -0.39 0.34 0.42 -0.07 -0.67 0.00 0.00 178.83 178.46 1o7b h LEU 36 N 0.53 1.02 0.66 1.46 -0.00 0.11 -2.15 115.31 116.95 1o7b h LEU 36 Ca 0.17 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1o7b h LEU 36 Cb 0.02 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 40.43 1o7b h LEU 36 CO -0.04 0.84 -0.32 -0.08 -0.00 0.00 0.00 178.44 178.84 1o7b h GLU 37 N 1.14 -0.86 -0.95 1.13 4.81 -0.64 0.21 114.58 119.41 1o7b h GLU 37 Ca 0.28 0.06 0.28 0.00 -0.13 0.00 0.00 59.36 59.85 1o7b h GLU 37 Cb 0.06 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1o7b h GLU 37 CO -0.04 -0.56 0.70 0.00 -0.73 0.00 0.00 179.01 178.38 1o7b h ALA 38 N -0.61 2.89 0.01 2.92 0.00 -1.31 0.92 119.26 124.10 1o7b h ALA 38 Ca -0.09 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 1o7b h ALA 38 Cb 0.69 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1o7b h ALA 38 CO 0.15 -1.19 -1.14 0.00 0.00 0.00 0.00 179.25 177.07 1o7b h ALA 39 N 1.50 0.39 -0.20 0.00 0.00 -0.70 -3.30 119.26 116.95 1o7b h ALA 39 Ca 0.45 -1.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1o7b h ALA 39 Cb 1.85 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1o7b h ALA 39 CO -0.00 1.27 -0.56 -0.09 0.00 0.00 0.00 179.25 179.87 1o7b h ARG 40 N 0.01 0.60 -0.05 0.00 2.43 0.40 -1.58 114.38 116.19 1o7b h ARG 40 Ca -0.07 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1o7b h ARG 40 Cb 1.83 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1o7b h ARG 40 CO 0.13 1.00 0.04 1.57 -1.51 0.00 0.00 179.97 181.20 1o7b h LYS 41 N 0.46 0.00 0.00 0.20 2.10 -1.05 -0.03 116.57 118.25 1o7b h LYS 41 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1o7b h LYS 41 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1o7b h LYS 41 CO 0.11 0.00 -0.63 -0.84 -2.00 0.00 0.00 179.45 176.08 1o7b h ILE 42 N 0.00 0.00 0.00 0.07 -0.00 -1.63 -3.48 117.51 112.47 1o7b h ILE 42 Ca 0.02 -0.70 0.00 0.00 -0.00 0.00 0.00 64.86 64.18 1o7b h ILE 42 Cb 0.11 1.33 0.00 0.00 -0.00 0.00 0.00 36.82 38.26 1o7b h ILE 42 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 1o7b n GLY 43 N 1.26 0.85 3.18 0.16 0.00 -0.03 -5.03 105.19 105.58 1o7b n GLY 43 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1o7b n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7b n PHE 44 N 0.00 4.02 -2.89 1.61 7.35 -0.61 -4.98 117.46 121.96 1o7b n PHE 44 Ca 0.00 -3.04 -0.40 0.00 -0.76 0.00 0.00 57.45 53.25 1o7b n PHE 44 Cb 0.00 -2.20 -0.05 0.00 0.35 0.00 0.00 39.48 37.58 1o7b n PHE 44 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1o7b s HIS 45 N 1.66 3.84 -0.30 -5.13 5.65 -1.26 -4.72 115.29 115.02 1o7b s HIS 45 Ca 0.44 1.66 -0.16 0.00 0.25 0.00 0.00 55.06 57.24 1o7b s HIS 45 Cb 0.05 -2.88 0.18 0.00 -1.18 0.00 0.00 32.58 28.74 1o7b s HIS 45 CO 0.00 0.36 1.15 0.54 -0.65 0.00 0.00 174.74 176.14 1o7b s VAL 46 N -0.52 -0.20 -1.90 0.89 0.11 -1.19 -5.00 120.40 112.59 1o7b s VAL 46 Ca 0.40 0.00 0.25 0.00 -2.93 0.00 0.00 61.98 59.69 1o7b s VAL 46 Cb -0.23 -1.00 0.65 0.00 -1.53 0.00 0.00 36.38 34.28 1o7b s VAL 46 CO 0.27 0.00 1.83 0.00 -3.33 0.00 0.00 175.10 173.86 1o7b s ALA 48 N -2.10 3.57 0.02 0.00 0.00 -1.26 -4.80 121.76 117.20 1o7b s ALA 48 Ca 0.35 -3.00 -0.39 0.00 0.00 0.00 0.00 51.96 48.91 1o7b s ALA 48 Cb 0.17 -4.25 -0.19 0.00 0.00 0.00 0.00 23.12 18.85 1o7b s ALA 48 CO 0.30 -3.02 1.13 0.00 0.00 0.00 0.00 175.76 174.18 1o7b n ALA 49 N 6.74 -2.96 -2.84 0.00 0.00 -1.25 -4.40 120.51 115.82 1o7b n ALA 49 Ca 0.35 0.58 -0.23 0.00 0.00 0.00 0.00 53.44 54.14 1o7b n ALA 49 Cb 0.46 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 1o7b n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7b s GLY 50 N 0.11 1.45 -0.04 0.00 0.00 -0.50 0.18 107.32 108.53 1o7b s GLY 50 Ca 0.89 -1.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1o7b s GLY 50 CO 0.54 -1.38 0.40 -0.98 0.00 0.00 0.00 173.10 171.68 1o7b s TRP 51 N -2.03 3.67 0.03 1.90 0.52 0.12 -3.29 118.94 119.86 1o7b s TRP 51 Ca 0.33 0.93 0.01 0.00 0.02 0.00 0.00 56.10 57.38 1o7b s TRP 51 Cb -0.08 -2.32 -0.00 0.00 -1.15 0.00 0.00 33.47 29.91 1o7b s TRP 51 CO 0.25 0.54 0.02 0.00 0.02 0.00 0.00 176.95 177.78 1o7b n MET 52 N 2.27 0.26 -1.41 4.98 0.00 -0.43 -3.61 117.12 119.18 1o7b n MET 52 Ca -0.13 -0.26 -0.37 0.00 0.00 0.00 0.00 57.70 56.94 1o7b n MET 52 Cb 0.52 0.19 0.06 0.00 0.00 0.00 0.00 33.22 33.99 1o7b n MET 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1o7b n ALA 53 N -2.83 -1.00 -0.23 3.17 0.00 -1.23 -1.05 120.51 117.34 1o7b n ALA 53 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1o7b n ALA 53 Cb 0.05 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1o7b n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7b n LYS 54 N -0.61 0.00 -1.74 0.00 4.01 -1.26 -2.55 118.16 116.01 1o7b n LYS 54 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1o7b n LYS 54 Cb 0.49 -3.14 0.00 0.00 -0.51 0.00 0.00 35.03 31.87 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1o7b n GLY 55 N -2.00 0.55 3.82 0.72 0.00 -0.22 -4.98 105.19 103.08 1o7b n GLY 55 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1o7b n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1o7b s ARG 56 N -3.59 4.18 0.13 1.61 3.52 -1.06 -4.77 118.95 118.98 1o7b s ARG 56 Ca 0.00 0.82 0.05 0.00 -0.13 0.00 0.00 55.73 56.47 1o7b s ARG 56 Cb 0.00 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 1o7b s ARG 56 CO 0.00 0.32 -0.12 0.14 -0.81 0.00 0.00 175.30 174.84 1o7b s VAL 57 N -1.66 1.21 0.00 7.11 -7.23 -1.26 -1.31 120.40 117.26 1o7b s VAL 57 Ca 0.46 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1o7b s VAL 57 Cb -0.15 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.13 1o7b s VAL 57 CO 0.20 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1o7b n GLY 58 N 0.18 0.66 2.59 2.32 0.00 -1.21 -4.22 105.19 105.51 1o7b n GLY 58 Ca -0.13 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1o7b n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1o7b s TYR 59 N -2.00 1.03 -0.78 1.61 1.13 -0.67 -1.41 117.35 116.25 1o7b s TYR 59 Ca 0.00 -1.55 -0.26 0.00 -1.41 0.00 0.00 57.07 53.85 1o7b s TYR 59 Cb 0.00 -1.25 -0.12 0.00 -1.10 0.00 0.00 41.96 39.49 1o7b s TYR 59 CO 0.00 -0.83 2.34 -1.25 -2.51 0.00 0.00 175.55 173.30 1o7b s PRO 60 N 1.40 1.77 0.38 -3.49 0.04 -1.25 -2.66 135.00 131.19 1o7b s PRO 60 Ca 0.13 0.44 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 1o7b s PRO 60 Cb -0.20 -4.81 -0.10 0.00 0.04 0.00 0.00 34.50 29.43 1o7b s PRO 60 CO -0.17 -4.22 0.94 0.42 0.04 0.00 0.00 177.00 174.02 1o7b s ILE 61 N 13.95 4.32 0.00 0.56 -1.09 -1.02 -3.15 121.20 134.76 1o7b s ILE 61 Ca 0.89 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.95 1o7b s ILE 61 Cb -0.12 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1o7b s ILE 61 CO 0.08 -0.10 0.00 0.52 -1.23 0.00 0.00 174.94 174.21 1o7b n VAL 62 N -0.08 0.00 -3.84 2.92 0.31 -1.26 -1.46 118.33 114.92 1o7b n VAL 62 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.10 1o7b n VAL 62 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 1o7b n VAL 62 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1o7b n LYS 63 N -0.17 1.94 -1.92 5.55 0.00 -1.26 -5.03 118.16 117.27 1o7b n LYS 63 Ca 0.00 -4.52 -0.42 0.00 0.00 0.00 0.00 58.31 53.37 1o7b n LYS 63 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 35.03 32.71 1o7b n LYS 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1o7b s PRO 64 N -1.61 4.20 0.00 1.64 0.04 -1.26 -4.59 135.00 133.42 1o7b s PRO 64 Ca 0.27 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1o7b s PRO 64 Cb -0.02 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1o7b s PRO 64 CO -0.15 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.61 1o7b n GLY 65 N 3.91 -0.59 0.00 0.56 0.00 -1.26 -4.92 105.19 102.88 1o7b n GLY 65 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1o7b n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o7b n PRO 66 N 0.00 0.32 0.27 1.61 -0.04 -1.26 -4.65 135.00 131.25 1o7b n PRO 66 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1o7b n PRO 66 Cb 0.00 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.14 1o7b n PRO 66 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1o7b h ASN 67 N -0.31 0.00 0.42 3.54 -1.24 -2.01 -2.10 115.58 113.87 1o7b h ASN 67 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1o7b h ASN 67 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1o7b h ASN 67 CO 0.00 0.00 -0.20 0.00 -1.29 0.00 0.00 177.43 175.94 1o7b n GLY 69 N -0.34 0.65 0.01 0.00 0.00 -0.79 -4.80 105.19 99.92 1o7b n GLY 69 Ca -0.07 0.95 0.14 0.00 0.00 0.00 0.00 46.02 47.04 1o7b n GLY 69 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7b n PHE 70 N 6.98 0.10 0.00 1.61 7.35 -1.26 -4.59 117.46 127.65 1o7b n PHE 70 Ca 0.34 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1o7b n PHE 70 Cb 0.14 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.45 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1o7b n GLY 71 N 1.48 2.36 3.95 7.13 0.00 -1.26 -5.05 105.19 113.79 1o7b n GLY 71 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1o7b n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o7b s LYS 72 N -0.00 3.00 -0.15 1.61 1.02 -1.26 -5.00 119.74 118.95 1o7b s LYS 72 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 1o7b s LYS 72 Cb 0.00 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1o7b s LYS 72 CO 0.00 0.07 -0.11 0.95 -0.92 0.00 0.00 175.35 175.35 1o7b s THR 73 N -2.21 3.17 0.00 2.17 -4.23 -1.26 -4.69 115.64 108.59 1o7b s THR 73 Ca 0.44 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1o7b s THR 73 Cb -0.08 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1o7b s THR 73 CO 0.30 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 1o7b n GLY 74 N 3.81 2.99 3.67 3.99 0.00 -0.53 -4.98 105.19 114.13 1o7b n GLY 74 Ca -0.18 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.48 1o7b n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 75 N -1.52 0.71 -3.15 -0.61 5.41 -1.26 -2.43 119.36 116.50 1o7b n ILE 75 Ca 0.00 -0.13 -0.45 0.00 1.00 0.00 0.00 62.75 63.17 1o7b n ILE 75 Cb 0.00 -2.16 -0.02 0.00 -0.71 0.00 0.00 39.64 36.75 1o7b n ILE 75 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1o7b s ILE 76 N 4.33 5.33 -0.22 1.39 -1.09 -1.09 -4.83 121.20 125.02 1o7b s ILE 76 Ca 0.90 -2.40 0.01 0.00 -2.23 0.00 0.00 60.65 56.94 1o7b s ILE 76 Cb -0.53 -4.66 0.05 0.00 -1.58 0.00 0.00 42.46 35.75 1o7b s ILE 76 CO 0.46 -1.29 -0.10 -0.62 -1.23 0.00 0.00 174.94 172.15 1o7b s ASP 77 N 2.56 3.80 0.00 3.58 2.15 -1.26 -1.68 116.67 125.82 1o7b s ASP 77 Ca 0.28 -1.09 0.08 0.00 0.43 0.00 0.00 52.55 52.25 1o7b s ASP 77 Cb -0.07 -1.32 0.40 0.00 -0.30 0.00 0.00 42.92 41.62 1o7b s ASP 77 CO -0.08 -0.17 1.26 -1.22 -0.17 0.00 0.00 175.17 174.80 1o7b n TYR 78 N 4.60 0.06 0.00 -5.34 4.02 -1.26 -5.00 117.16 114.24 1o7b n TYR 78 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1o7b n TYR 78 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o7b n GLY 79 N 0.67 -2.25 3.55 2.72 0.00 -1.26 -4.91 105.19 103.71 1o7b n GLY 79 Ca 0.06 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1o7b n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 80 N -1.96 2.31 -0.73 -0.61 2.08 -1.26 -4.80 119.36 114.38 1o7b n ILE 80 Ca 0.00 -0.50 0.08 0.00 0.56 0.00 0.00 62.75 62.89 1o7b n ILE 80 Cb 0.00 -0.90 0.23 0.00 -0.75 0.00 0.00 39.64 38.22 1o7b n ILE 80 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1o7b n ARG 81 N 0.20 2.92 -1.66 0.38 5.12 -1.26 -4.94 116.66 117.42 1o7b n ARG 81 Ca 0.11 -2.59 -0.14 0.00 -1.93 0.00 0.00 57.85 53.30 1o7b n ARG 81 Cb 0.40 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 1o7b n ARG 81 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1o7b n LEU 82 N -0.18 -1.06 -3.27 0.55 7.99 -1.26 -4.85 117.00 114.92 1o7b n LEU 82 Ca 0.18 0.29 -0.07 0.00 -0.01 0.00 0.00 56.01 56.40 1o7b n LEU 82 Cb 0.74 -2.10 -0.04 0.00 -0.11 0.00 0.00 43.42 41.92 1o7b n LEU 82 CO 0.13 -0.57 -0.02 0.21 -1.51 0.00 0.00 177.39 175.64 1o7b s ASN 83 N -2.12 -0.36 0.00 -1.43 3.84 -1.26 -5.00 114.94 108.61 1o7b s ASN 83 Ca 0.00 -1.18 0.00 0.00 0.21 0.00 0.00 52.86 51.89 1o7b s ASN 83 Cb 0.00 1.34 0.00 0.00 -0.55 0.00 0.00 41.25 42.04 1o7b s ASN 83 CO 0.00 -0.20 0.41 0.54 -2.79 0.00 0.00 177.10 175.06 1o7b n ARG 84 N 4.28 0.49 -0.27 0.43 3.00 -1.26 -3.23 116.66 120.10 1o7b n ARG 84 Ca 0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.06 1o7b n ARG 84 Cb 0.52 -1.25 0.27 0.00 0.00 0.00 0.00 32.46 32.00 1o7b n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o7b n SER 85 N 0.59 3.32 -4.31 0.55 7.64 -1.26 -3.06 113.62 117.08 1o7b n SER 85 Ca 0.00 -1.98 -0.29 0.00 1.01 0.00 0.00 58.87 57.61 1o7b n SER 85 Cb 0.21 -0.36 0.22 0.00 -1.01 0.00 0.00 64.21 63.26 1o7b n SER 85 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1o7b s GLU 86 N -1.28 -0.61 -0.74 1.43 0.41 -1.20 -4.96 118.70 111.76 1o7b s GLU 86 Ca 0.41 0.36 0.01 0.00 -0.41 0.00 0.00 54.97 55.35 1o7b s GLU 86 Cb 0.22 -1.63 0.18 0.00 -1.78 0.00 0.00 34.13 31.12 1o7b s GLU 86 CO 0.30 -3.40 0.56 1.03 -0.49 0.00 0.00 175.26 173.26 1o7b s ARG 87 N -5.00 2.71 0.42 1.61 3.00 -1.26 -4.13 118.95 116.31 1o7b s ARG 87 Ca 0.68 -3.11 0.03 0.00 0.00 0.00 0.00 55.73 53.34 1o7b s ARG 87 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 34.95 31.09 1o7b s ARG 87 CO 0.59 -1.24 0.06 -1.58 0.00 0.00 0.00 175.30 173.13 1o7b s TRP 88 N -1.05 1.93 0.01 -0.53 0.23 -0.80 -3.87 118.94 114.86 1o7b s TRP 88 Ca 0.23 -1.05 -0.00 0.00 -2.03 0.00 0.00 56.10 53.26 1o7b s TRP 88 Cb -0.11 -1.38 0.00 0.00 0.03 0.00 0.00 33.47 32.01 1o7b s TRP 88 CO -0.11 0.00 0.01 -3.47 0.96 0.00 0.00 176.95 174.35 1o7b n ASP 89 N -1.11 0.01 -3.89 2.95 -0.08 0.47 -1.61 116.55 113.28 1o7b n ASP 89 Ca -0.09 -1.01 -0.24 0.00 -1.51 0.00 0.00 54.79 51.94 1o7b n ASP 89 Cb 0.66 -0.01 -0.17 0.00 2.34 0.00 0.00 41.12 43.94 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o7b s ALA 90 N -3.14 1.04 -1.31 -1.67 0.00 -0.34 0.13 121.76 116.47 1o7b s ALA 90 Ca 0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1o7b s ALA 90 Cb -0.00 -0.72 0.12 0.00 0.00 0.00 0.00 23.12 22.52 1o7b s ALA 90 CO 0.00 -0.25 1.84 0.66 0.00 0.00 0.00 175.76 178.01 1o7b n TYR 91 N 4.62 3.83 -0.82 0.00 4.01 -1.24 -0.75 117.16 126.81 1o7b n TYR 91 Ca -0.15 -2.97 -0.33 0.00 -0.16 0.00 0.00 57.90 54.28 1o7b n TYR 91 Cb 0.50 -2.26 0.13 0.00 -0.31 0.00 0.00 39.34 37.40 1o7b n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o7b s TYR 93 N -2.40 -0.74 -0.30 0.00 6.14 -0.01 0.96 117.35 120.99 1o7b s TYR 93 Ca 0.61 1.49 -0.11 0.00 0.64 0.00 0.00 57.07 59.71 1o7b s TYR 93 Cb -0.23 0.34 0.15 0.00 0.42 0.00 0.00 41.96 42.64 1o7b s TYR 93 CO 0.63 -0.42 0.77 -0.80 0.64 0.00 0.00 175.55 176.38 1o7b s ASN 94 N 1.89 -0.96 0.00 4.32 -0.87 -1.15 -1.89 114.94 116.28 1o7b s ASN 94 Ca -0.07 1.19 0.06 0.00 -1.57 0.00 0.00 52.86 52.47 1o7b s ASN 94 Cb -0.09 2.04 0.33 0.00 -0.02 0.00 0.00 41.25 43.50 1o7b s ASN 94 CO -0.14 -0.18 0.98 -0.81 -2.57 0.00 0.00 177.10 174.38 1o7b n PRO 95 N 5.29 0.12 -0.00 -0.60 -0.04 -1.26 -1.12 135.00 137.39 1o7b n PRO 95 Ca -0.10 0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1o7b n PRO 95 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1o7b n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1o7b n HIS 96 N -1.20 0.00 -1.34 0.54 -0.00 -1.26 -4.70 115.22 107.26 1o7b n HIS 96 Ca 0.03 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.93 1o7b n HIS 96 Cb 0.04 -0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.83 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7b n ALA 97 N -1.06 6.92 -1.98 1.57 0.00 -0.28 -5.06 120.51 120.62 1o7b n ALA 97 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1o7b n ALA 97 Cb 0.04 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67