#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 4.34 0.28 1.61 0.11 -1.26 -2.78 120.40 122.70 1o7b s VAL 2 Ca 0.00 1.68 0.06 0.00 -2.93 0.00 0.00 61.98 60.79 1o7b s VAL 2 Cb 0.00 -4.08 -0.06 0.00 -1.53 0.00 0.00 36.38 30.72 1o7b s VAL 2 CO 0.00 0.12 -0.04 -0.72 -3.33 0.00 0.00 175.10 171.14 1o7b s TYR 3 N 1.11 1.92 -0.10 1.54 1.13 0.18 -4.92 117.35 118.21 1o7b s TYR 3 Ca 0.56 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 1o7b s TYR 3 Cb -0.26 -1.13 -0.02 0.00 -1.10 0.00 0.00 41.96 39.45 1o7b s TYR 3 CO 0.28 0.21 -0.10 -1.58 -2.51 0.00 0.00 175.55 171.85 1o7b s HIS 4 N -3.09 2.85 0.03 -3.49 5.65 -1.26 0.12 115.29 116.11 1o7b s HIS 4 Ca 0.30 -0.32 -0.03 0.00 0.25 0.00 0.00 55.06 55.27 1o7b s HIS 4 Cb 0.05 -1.78 -0.02 0.00 -1.18 0.00 0.00 32.58 29.65 1o7b s HIS 4 CO 0.12 0.04 0.03 1.03 -0.65 0.00 0.00 174.74 175.31 1o7b s ARG 5 N -0.17 0.50 0.00 2.88 1.81 -0.15 -4.95 118.95 118.87 1o7b s ARG 5 Ca 0.01 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 1o7b s ARG 5 Cb -0.13 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 1o7b s ARG 5 CO 0.03 -0.11 0.00 -0.85 -0.68 0.00 0.00 175.30 173.69 1o7b n GLU 6 N 0.91 1.24 -0.18 3.54 0.00 -1.26 -0.85 120.64 124.04 1o7b n GLU 6 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.77 1o7b n GLU 6 Cb 0.58 0.00 0.19 0.00 0.00 0.00 0.00 31.44 32.21 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7b n ALA 7 N -3.00 -3.32 -0.33 -1.84 0.00 -0.41 -4.82 120.51 106.79 1o7b n ALA 7 Ca 0.00 -1.00 0.21 0.00 0.00 0.00 0.00 53.44 52.65 1o7b n ALA 7 Cb 0.00 -0.09 0.42 0.00 0.00 0.00 0.00 19.45 19.79 1o7b n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7b h ARG 8 N 0.00 0.37 0.00 0.00 3.08 -1.99 -3.35 114.38 112.50 1o7b h ARG 8 Ca -0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1o7b h ARG 8 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1o7b h ARG 8 CO 0.15 0.25 0.00 -1.13 -1.07 0.00 0.00 179.97 178.17 1o7b n SER 9 N -5.02 0.00 -4.89 7.04 3.41 -1.26 -5.13 113.62 107.76 1o7b n SER 9 Ca 0.29 -0.45 -0.21 0.00 -0.26 0.00 0.00 58.87 58.24 1o7b n SER 9 Cb 0.87 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1o7b n SER 9 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1o7b s GLY 10 N 0.00 1.62 0.01 5.00 0.00 -1.26 -5.12 107.32 107.57 1o7b s GLY 10 Ca 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 44.72 43.22 1o7b s GLY 10 CO 0.00 -1.48 -0.04 1.25 0.00 0.00 0.00 173.10 172.82 1o7b s LYS 11 N -4.00 2.60 -0.61 2.90 2.47 -1.26 -1.29 119.74 120.55 1o7b s LYS 11 Ca 0.40 -0.72 -0.15 0.00 -1.56 0.00 0.00 55.97 53.94 1o7b s LYS 11 Cb -0.07 -2.54 0.02 0.00 -1.46 0.00 0.00 37.83 33.78 1o7b s LYS 11 CO 0.27 0.60 0.64 0.66 0.16 0.00 0.00 175.35 177.68 1o7b n TYR 12 N 1.39 -2.78 -1.51 4.03 4.01 -1.25 -4.92 117.16 116.13 1o7b n TYR 12 Ca -0.15 1.12 -0.01 0.00 -0.16 0.00 0.00 57.90 58.70 1o7b n TYR 12 Cb 0.52 -3.10 -0.01 0.00 -0.31 0.00 0.00 39.34 36.44 1o7b n TYR 12 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1o7b n LYS 13 N -1.19 0.00 -3.99 -0.72 -0.00 -0.75 -4.50 118.16 107.00 1o7b n LYS 13 Ca -0.08 -0.18 -0.29 0.00 -0.00 0.00 0.00 58.31 57.76 1o7b n LYS 13 Cb 0.59 0.28 -0.05 0.00 -0.00 0.00 0.00 35.03 35.85 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1o7b s LEU 14 N 0.00 4.07 0.00 -5.58 1.43 -0.30 -4.72 118.68 113.58 1o7b s LEU 14 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1o7b s LEU 14 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1o7b s LEU 14 CO 0.00 0.14 0.00 0.35 0.23 0.00 0.00 176.35 177.07 1o7b n THR 15 N 0.15 0.00 -0.04 5.49 -2.24 -1.26 -2.03 114.28 114.35 1o7b n THR 15 Ca -0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 1o7b n THR 15 Cb 0.52 -0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.07 4.78 3.20 -1.87 -2.48 116.97 120.53 1o7b h TYR 16 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1o7b h TYR 16 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1o7b h TYR 16 CO 0.00 0.00 0.02 0.00 -1.64 0.00 0.00 178.16 176.54 1o7b h ALA 17 N -1.25 1.92 0.40 1.82 0.00 -1.98 -1.71 119.26 118.46 1o7b h ALA 17 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1o7b h ALA 17 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1o7b h ALA 17 CO 0.00 0.06 -0.19 0.93 0.00 0.00 0.00 179.25 180.05 1o7b h GLU 18 N 0.09 -0.52 -0.88 0.00 5.08 -1.97 -2.55 114.58 113.83 1o7b h GLU 18 Ca 0.02 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.65 1o7b h GLU 18 Cb 0.02 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1o7b h GLU 18 CO -0.00 -0.34 0.28 0.00 -1.00 0.00 0.00 179.01 177.94 1o7b h ALA 19 N -1.13 1.32 -0.58 3.43 0.00 -1.28 0.32 119.26 121.34 1o7b h ALA 19 Ca -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1o7b h ALA 19 Cb 0.42 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1o7b h ALA 19 CO 0.09 -0.44 0.33 -0.22 0.00 0.00 0.00 179.25 179.00 1o7b h LYS 20 N 0.25 0.80 0.10 0.00 3.64 -1.37 -1.84 116.57 118.15 1o7b h LYS 20 Ca 0.55 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1o7b h LYS 20 Cb 1.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1o7b h LYS 20 CO -0.62 0.60 -0.05 0.00 -2.27 0.00 0.00 179.45 177.11 1o7b h ALA 21 N 1.15 -0.13 -0.92 5.00 0.00 -0.05 -1.76 119.26 122.55 1o7b h ALA 21 Ca 0.20 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.20 1o7b h ALA 21 Cb 0.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1o7b h ALA 21 CO -0.03 -0.46 0.61 0.28 0.00 0.00 0.00 179.25 179.65 1o7b h VAL 22 N -0.35 0.65 0.52 0.00 2.07 -0.75 -0.16 116.25 118.21 1o7b h VAL 22 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1o7b h VAL 22 Cb 0.30 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1o7b h VAL 22 CO 0.02 0.07 -0.25 0.00 0.02 0.00 0.00 177.57 177.43 1o7b n GLU 24 N -4.79 0.00 -0.09 0.00 1.02 0.12 -1.14 120.64 115.76 1o7b n GLU 24 Ca -0.09 0.39 -0.22 0.00 -0.02 0.00 0.00 57.16 57.22 1o7b n GLU 24 Cb 0.27 -1.54 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.38 1.02 1.94 -0.32 7.35 -0.14 -4.09 117.46 121.84 1o7b n PHE 25 Ca 0.00 0.41 0.12 0.00 -0.76 0.00 0.00 57.45 57.22 1o7b n PHE 25 Cb 0.04 -1.11 0.72 0.00 0.35 0.00 0.00 39.48 39.48 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 -4.33 0.97 -0.56 -4.13 1.02 -0.63 -4.87 120.64 108.10 1o7b n GLU 26 Ca -0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1o7b n GLU 26 Cb 0.73 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.83 0.49 0.00 0.62 0.00 -0.63 -4.96 105.19 101.54 1o7b n GLY 27 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.41 -1.51 3.41 -0.02 0.00 -0.29 -4.28 105.19 102.09 1o7b n GLY 28 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.65 0.58 -0.32 1.61 -3.43 -0.80 0.12 115.29 110.41 1o7b s HIS 29 Ca 0.00 -0.91 -0.27 0.00 -0.80 0.00 0.00 55.06 53.08 1o7b s HIS 29 Cb 0.00 -0.09 -0.05 0.00 -1.43 0.00 0.00 32.58 31.01 1o7b s HIS 29 CO 0.00 -0.81 2.24 -0.51 -2.00 0.00 0.00 174.74 173.66 1o7b s LEU 30 N -3.04 3.43 0.00 5.38 1.43 -1.26 -0.26 118.68 124.35 1o7b s LEU 30 Ca 0.25 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1o7b s LEU 30 Cb 0.03 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1o7b s LEU 30 CO 0.07 -2.23 0.00 0.00 0.23 0.00 0.00 176.35 174.42 1o7b n ALA 31 N 12.90 0.00 -2.30 4.21 0.00 -0.26 -4.29 120.51 130.76 1o7b n ALA 31 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 1o7b n ALA 31 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.62 1.21 0.13 0.00 -4.23 -1.26 -2.11 115.64 108.76 1o7b s THR 32 Ca 0.00 -2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 1o7b s THR 32 Cb 0.00 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1o7b s THR 32 CO 0.00 -0.54 1.62 0.22 -0.54 0.00 0.00 174.62 175.38 1o7b h TYR 33 N 2.61 -0.76 -0.61 3.99 3.20 -1.97 0.68 116.97 124.11 1o7b h TYR 33 Ca -0.38 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.64 1o7b h TYR 33 Cb 1.21 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.74 1o7b h TYR 33 CO 0.63 -0.36 0.13 0.87 -1.64 0.00 0.00 178.16 177.78 1o7b h LYS 34 N -0.38 0.25 -0.50 1.82 1.57 -2.00 0.26 116.57 117.58 1o7b h LYS 34 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1o7b h LYS 34 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1o7b h LYS 34 CO -0.30 0.16 0.30 1.96 -0.57 0.00 0.00 179.45 181.00 1o7b h GLN 35 N 0.26 0.68 -0.16 3.15 4.20 -1.73 -0.58 115.11 120.92 1o7b h GLN 35 Ca 0.32 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 1o7b h GLN 35 Cb 0.49 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1o7b h GLN 35 CO -0.42 0.48 -0.15 1.25 -0.67 0.00 0.00 178.83 179.32 1o7b h LEU 36 N 0.69 0.25 0.68 1.46 7.12 0.18 -2.29 115.31 123.40 1o7b h LEU 36 Ca 0.18 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 1o7b h LEU 36 Cb -0.02 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.05 1o7b h LEU 36 CO -0.03 0.43 -0.33 -0.08 -0.13 0.00 0.00 178.44 178.30 1o7b h GLU 37 N 0.25 -0.88 -0.72 1.25 4.81 0.17 -1.43 114.58 118.03 1o7b h GLU 37 Ca 0.05 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.54 1o7b h GLU 37 Cb 0.43 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1o7b h GLU 37 CO 0.03 -0.55 0.52 0.00 -0.73 0.00 0.00 179.01 178.27 1o7b h ALA 38 N -0.80 2.61 0.00 2.92 0.00 -1.34 0.81 119.26 123.45 1o7b h ALA 38 Ca -0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1o7b h ALA 38 Cb 0.73 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1o7b h ALA 38 CO 0.15 -0.82 -0.55 0.00 0.00 0.00 0.00 179.25 178.04 1o7b h ALA 39 N 1.64 1.06 -0.10 0.00 0.00 -0.95 -2.93 119.26 117.97 1o7b h ALA 39 Ca 0.35 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1o7b h ALA 39 Cb 1.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1o7b h ALA 39 CO -0.02 0.68 -0.69 -0.09 0.00 0.00 0.00 179.25 179.13 1o7b h ARG 40 N 0.00 0.44 -0.97 0.00 2.43 0.17 -1.83 114.38 114.62 1o7b h ARG 40 Ca -0.01 -0.34 0.23 0.00 -0.81 0.00 0.00 59.98 59.05 1o7b h ARG 40 Cb 0.99 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 1o7b h ARG 40 CO 0.07 0.97 0.63 0.87 -1.51 0.00 0.00 179.97 181.00 1o7b h LYS 41 N 0.31 0.42 0.00 0.20 1.57 -1.15 0.20 116.57 118.12 1o7b h LYS 41 Ca -0.02 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1o7b h LYS 41 Cb 1.25 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1o7b h LYS 41 CO 0.12 0.28 -1.17 -0.84 -0.57 0.00 0.00 179.45 177.27 1o7b h ILE 42 N 0.43 1.08 0.00 1.86 -0.00 -1.63 -3.48 117.51 115.77 1o7b h ILE 42 Ca 0.53 -2.72 0.00 0.00 -0.00 0.00 0.00 64.86 62.67 1o7b h ILE 42 Cb 1.28 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 40.60 1o7b h ILE 42 CO -0.23 0.62 0.00 0.61 -0.00 0.00 0.00 178.15 179.14 1o7b n GLY 43 N 1.39 0.95 3.57 0.16 0.00 0.70 -5.03 105.19 106.94 1o7b n GLY 43 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1o7b n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o7b s PHE 44 N -0.64 1.99 -0.35 1.61 5.36 -0.70 -4.92 117.98 120.33 1o7b s PHE 44 Ca 0.00 0.34 -0.25 0.00 -0.96 0.00 0.00 56.93 56.06 1o7b s PHE 44 Cb 0.00 -4.08 0.01 0.00 -0.34 0.00 0.00 43.02 38.61 1o7b s PHE 44 CO 0.00 -1.39 0.87 -1.58 -1.46 0.00 0.00 175.22 171.66 1o7b s HIS 45 N 10.21 3.11 -0.30 10.12 5.65 -1.26 -4.64 115.29 138.19 1o7b s HIS 45 Ca 0.67 0.73 -0.07 0.00 0.25 0.00 0.00 55.06 56.64 1o7b s HIS 45 Cb -0.02 -3.50 0.16 0.00 -1.18 0.00 0.00 32.58 28.04 1o7b s HIS 45 CO 0.09 -0.75 0.72 0.54 -0.65 0.00 0.00 174.74 174.68 1o7b s VAL 46 N 3.28 -0.86 -2.15 0.89 0.11 -1.10 -5.01 120.40 115.56 1o7b s VAL 46 Ca 0.35 0.00 0.26 0.00 -2.93 0.00 0.00 61.98 59.66 1o7b s VAL 46 Cb -0.13 -1.00 0.67 0.00 -1.53 0.00 0.00 36.38 34.39 1o7b s VAL 46 CO 0.17 0.00 1.89 0.00 -3.33 0.00 0.00 175.10 173.83 1o7b s ALA 48 N -1.97 3.68 0.10 0.00 0.00 -1.26 -4.84 121.76 117.46 1o7b s ALA 48 Ca 0.38 -2.73 -0.36 0.00 0.00 0.00 0.00 51.96 49.26 1o7b s ALA 48 Cb 0.19 -3.54 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 1o7b s ALA 48 CO 0.31 -2.35 1.09 0.00 0.00 0.00 0.00 175.76 174.81 1o7b n ALA 49 N 5.36 -2.11 -3.49 0.00 0.00 -1.25 -4.63 120.51 114.40 1o7b n ALA 49 Ca 0.02 0.52 -0.34 0.00 0.00 0.00 0.00 53.44 53.64 1o7b n ALA 49 Cb 0.44 -1.89 -0.14 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.02 1.56 0.43 0.00 0.00 -0.77 0.47 107.32 108.99 1o7b s GLY 50 Ca 0.81 -1.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.18 1o7b s GLY 50 CO 0.53 0.26 1.18 0.79 0.00 0.00 0.00 173.10 175.86 1o7b n TRP 51 N 4.46 1.79 -3.76 1.90 7.02 -1.06 -3.97 117.44 123.82 1o7b n TRP 51 Ca -0.19 0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.81 1o7b n TRP 51 Cb 0.51 -2.32 0.00 0.00 -2.42 0.00 0.00 31.31 27.08 1o7b n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7b n MET 52 N 0.01 0.00 -1.40 -0.99 0.00 -0.59 -2.52 117.12 111.63 1o7b n MET 52 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.41 1o7b n MET 52 Cb 0.40 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.68 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 -3.00 -0.97 0.00 3.17 0.00 -0.90 -1.03 120.51 117.78 1o7b n ALA 53 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1o7b n ALA 53 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -0.70 0.00 -1.31 0.00 5.02 -1.26 -2.52 118.16 117.39 1o7b n LYS 54 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1o7b n LYS 54 Cb 0.49 -2.84 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o7b n GLY 55 N -1.88 0.97 3.86 0.72 0.00 -0.20 -5.01 105.19 103.65 1o7b n GLY 55 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.93 3.93 0.00 1.61 3.52 -1.05 -4.72 118.95 119.32 1o7b s ARG 56 Ca 0.00 0.57 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 1o7b s ARG 56 Cb 0.00 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 1o7b s ARG 56 CO 0.00 0.14 -0.10 0.14 -0.81 0.00 0.00 175.30 174.68 1o7b s VAL 57 N -2.03 0.76 0.02 7.11 -7.23 -1.26 -1.54 120.40 116.22 1o7b s VAL 57 Ca 0.53 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.87 1o7b s VAL 57 Cb -0.10 -0.66 0.10 0.00 0.56 0.00 0.00 36.38 36.28 1o7b s VAL 57 CO 0.21 0.12 1.04 -0.83 -0.31 0.00 0.00 175.10 175.33 1o7b s GLY 58 N -0.46 -0.35 -0.33 2.32 0.00 -1.26 -4.00 107.32 103.24 1o7b s GLY 58 Ca 0.02 0.75 -0.00 0.00 0.00 0.00 0.00 44.72 45.49 1o7b s GLY 58 CO -0.00 0.22 0.25 -2.52 0.00 0.00 0.00 173.10 171.04 1o7b s TYR 59 N -2.93 0.15 -0.21 1.90 1.13 -0.29 -1.85 117.35 115.26 1o7b s TYR 59 Ca 0.10 -0.98 -0.29 0.00 -1.41 0.00 0.00 57.07 54.49 1o7b s TYR 59 Cb 0.00 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 40.12 1o7b s TYR 59 CO -0.04 -0.88 1.99 -1.25 -2.51 0.00 0.00 175.55 172.86 1o7b s PRO 60 N 1.65 3.43 -0.19 -3.49 0.04 -1.24 -2.65 135.00 132.54 1o7b s PRO 60 Ca 0.14 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 1o7b s PRO 60 Cb -0.18 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 1o7b s PRO 60 CO -0.15 -1.75 -0.02 0.42 0.04 0.00 0.00 177.00 175.53 1o7b s ILE 61 N 6.93 3.77 -0.08 0.56 1.01 -0.93 -2.70 121.20 129.76 1o7b s ILE 61 Ca 0.89 -0.38 0.17 0.00 0.00 0.00 0.00 60.65 61.34 1o7b s ILE 61 Cb -0.31 -2.69 -0.26 0.00 0.01 0.00 0.00 42.46 39.22 1o7b s ILE 61 CO 0.35 0.44 0.28 0.52 0.00 0.00 0.00 174.94 176.53 1o7b n VAL 62 N 4.20 0.41 -3.99 2.92 0.31 -1.26 -0.86 118.33 120.07 1o7b n VAL 62 Ca -0.17 -0.52 -0.31 0.00 -0.01 0.00 0.00 64.34 63.32 1o7b n VAL 62 Cb 0.52 -0.14 -0.15 0.00 -0.91 0.00 0.00 33.84 33.16 1o7b n VAL 62 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1o7b s LYS 63 N -2.96 1.63 0.54 5.55 2.47 -1.26 -4.95 119.74 120.76 1o7b s LYS 63 Ca -0.07 -2.05 -0.22 0.00 -1.56 0.00 0.00 55.97 52.07 1o7b s LYS 63 Cb 0.09 -3.26 -0.05 0.00 -1.46 0.00 0.00 37.83 33.15 1o7b s LYS 63 CO 0.73 -0.99 1.37 -1.25 0.16 0.00 0.00 175.35 175.37 1o7b s PRO 64 N 0.64 3.20 0.00 4.03 0.04 -1.26 -4.89 135.00 136.75 1o7b s PRO 64 Ca 0.12 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1o7b s PRO 64 Cb -0.21 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1o7b s PRO 64 CO -0.06 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1o7b n GLY 65 N 0.71 -0.17 3.69 0.56 0.00 -0.30 -5.04 105.19 104.62 1o7b n GLY 65 Ca 0.10 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.76 1o7b n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1o7b n PRO 66 N -0.05 2.30 -2.39 1.61 -0.02 -1.26 -1.32 135.00 133.87 1o7b n PRO 66 Ca 0.00 0.83 -0.21 0.00 -2.02 0.00 0.00 63.50 62.10 1o7b n PRO 66 Cb 0.00 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 30.87 1o7b n PRO 66 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1o7b n ASN 67 N 3.20 -5.86 -3.11 2.55 2.85 -1.26 -4.92 115.26 108.71 1o7b n ASN 67 Ca 0.15 -0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.63 1o7b n ASN 67 Cb 0.31 -4.88 -0.01 0.00 1.24 0.00 0.00 39.78 36.44 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1o7b n GLY 69 N 4.24 -0.67 0.00 0.00 0.00 -1.26 -1.15 105.19 106.34 1o7b n GLY 69 Ca 0.10 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 45.05 1o7b n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o7b n PHE 70 N 1.15 0.00 0.00 1.61 3.01 -1.26 -4.41 117.46 117.56 1o7b n PHE 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1o7b n PHE 70 Cb 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o7b n GLY 71 N 0.95 1.36 3.96 1.37 0.00 -1.26 -5.10 105.19 106.46 1o7b n GLY 71 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 3.45 -0.17 1.61 3.01 -1.26 -4.95 119.74 121.42 1o7b s LYS 72 Ca 0.00 -0.65 -0.02 0.00 -1.01 0.00 0.00 55.97 54.28 1o7b s LYS 72 Cb 0.00 -2.90 -0.01 0.00 -1.01 0.00 0.00 37.83 33.90 1o7b s LYS 72 CO 0.00 0.45 -0.08 0.95 0.51 0.00 0.00 175.35 177.18 1o7b s THR 73 N -1.90 3.27 0.00 2.17 -4.23 -1.26 -4.83 115.64 108.87 1o7b s THR 73 Ca 0.35 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1o7b s THR 73 Cb -0.10 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1o7b s THR 73 CO 0.29 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 1o7b n GLY 74 N 4.09 2.29 3.63 3.99 0.00 -0.03 -4.95 105.19 114.20 1o7b n GLY 74 Ca -0.18 -1.66 -0.45 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.79 0.53 -3.13 -0.61 5.41 -1.26 -2.19 119.36 116.33 1o7b n ILE 75 Ca 0.00 -0.23 -0.45 0.00 1.00 0.00 0.00 62.75 63.07 1o7b n ILE 75 Cb 0.00 -2.17 -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 5.74 5.28 -0.19 1.39 -1.09 -1.08 -4.81 121.20 126.42 1o7b s ILE 76 Ca 0.96 -2.35 -0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1o7b s ILE 76 Cb -0.54 -4.67 0.05 0.00 -1.58 0.00 0.00 42.46 35.71 1o7b s ILE 76 CO 0.44 -1.32 -0.06 -0.62 -1.23 0.00 0.00 174.94 172.15 1o7b s ASP 77 N 2.64 3.20 -0.01 3.58 2.15 -1.26 -1.14 116.67 125.84 1o7b s ASP 77 Ca 0.29 -0.84 0.02 0.00 0.43 0.00 0.00 52.55 52.46 1o7b s ASP 77 Cb -0.07 -1.04 0.09 0.00 -0.30 0.00 0.00 42.92 41.61 1o7b s ASP 77 CO -0.07 -0.19 0.89 0.00 -0.17 0.00 0.00 175.17 175.62 1o7b n TYR 78 N 4.79 0.19 -0.25 -5.34 4.19 -1.26 -5.00 117.16 114.49 1o7b n TYR 78 Ca -0.12 -0.08 0.03 0.00 3.31 0.00 0.00 57.90 61.04 1o7b n TYR 78 Cb 0.47 -0.07 -0.01 0.00 0.49 0.00 0.00 39.34 40.21 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1o7b n GLY 79 N 0.40 -2.34 3.60 2.98 0.00 -1.26 -4.87 105.19 103.70 1o7b n GLY 79 Ca 0.03 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.65 2.01 -0.23 -0.61 2.08 -1.26 -4.73 119.36 113.97 1o7b n ILE 80 Ca -0.01 -0.50 0.07 0.00 0.56 0.00 0.00 62.75 62.87 1o7b n ILE 80 Cb 0.12 -1.07 0.29 0.00 -0.75 0.00 0.00 39.64 38.23 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 0.67 3.42 -1.31 0.38 5.12 -1.26 -4.88 116.66 118.79 1o7b n ARG 81 Ca 0.09 -2.30 -0.12 0.00 -1.93 0.00 0.00 57.85 53.59 1o7b n ARG 81 Cb 0.33 -1.87 -0.05 0.00 -1.16 0.00 0.00 32.46 29.71 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 0.73 -0.50 -3.18 0.55 7.99 -1.26 -4.87 117.00 116.45 1o7b n LEU 82 Ca 0.21 0.29 0.04 0.00 -0.01 0.00 0.00 56.01 56.54 1o7b n LEU 82 Cb 0.81 -2.55 -0.01 0.00 -0.11 0.00 0.00 43.42 41.55 1o7b n LEU 82 CO 0.21 -0.97 0.27 0.21 -1.51 0.00 0.00 177.39 175.59 1o7b s ASN 83 N -2.33 -1.16 0.00 -1.43 3.84 -1.26 -5.01 114.94 107.60 1o7b s ASN 83 Ca 0.00 0.79 0.00 0.00 0.21 0.00 0.00 52.86 53.86 1o7b s ASN 83 Cb 0.00 2.00 0.00 0.00 -0.55 0.00 0.00 41.25 42.70 1o7b s ASN 83 CO 0.00 -0.22 0.48 0.54 -2.79 0.00 0.00 177.10 175.12 1o7b n ARG 84 N 5.43 0.75 -0.12 0.43 5.12 -1.26 -3.41 116.66 123.60 1o7b n ARG 84 Ca -0.03 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.99 1o7b n ARG 84 Cb 0.51 -1.30 0.31 0.00 -1.16 0.00 0.00 32.46 30.83 1o7b n ARG 84 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1o7b n SER 85 N 0.27 2.09 -4.78 0.55 7.64 -1.26 -3.43 113.62 114.70 1o7b n SER 85 Ca 0.00 -1.81 -0.30 0.00 1.01 0.00 0.00 58.87 57.77 1o7b n SER 85 Cb 0.24 -0.16 0.10 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.69 1.92 -0.22 1.43 0.41 -1.22 -4.99 118.70 114.33 1o7b s GLU 86 Ca 0.33 0.76 -0.05 0.00 -0.41 0.00 0.00 54.97 55.59 1o7b s GLU 86 Cb 0.18 -1.89 -0.02 0.00 -1.78 0.00 0.00 34.13 30.62 1o7b s GLU 86 CO 0.26 -1.77 0.00 -0.98 -0.49 0.00 0.00 175.26 172.29 1o7b s ARG 87 N -5.06 3.52 0.00 1.61 1.70 -1.26 -4.17 118.95 115.30 1o7b s ARG 87 Ca 0.61 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1o7b s ARG 87 Cb -0.16 -3.12 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 1o7b s ARG 87 CO 0.55 -0.14 0.00 0.91 -1.08 0.00 0.00 175.30 175.54 1o7b n TRP 88 N 4.69 0.00 0.00 5.89 5.03 -0.86 -4.40 117.44 127.79 1o7b n TRP 88 Ca -0.17 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.36 1o7b n TRP 88 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.79 1o7b n TRP 88 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1o7b n ASP 89 N 0.00 0.00 -3.50 -0.99 9.92 0.18 -1.15 116.55 121.01 1o7b n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1o7b n ASP 89 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7b s ALA 90 N -2.03 -2.47 -1.28 2.24 0.00 -0.03 -2.56 121.76 115.63 1o7b s ALA 90 Ca 0.00 2.16 -0.11 0.00 0.00 0.00 0.00 51.96 54.00 1o7b s ALA 90 Cb 0.00 -1.93 0.15 0.00 0.00 0.00 0.00 23.12 21.34 1o7b s ALA 90 CO 0.00 -0.87 1.78 0.66 0.00 0.00 0.00 175.76 177.33 1o7b n TYR 91 N 4.96 3.67 -0.58 0.00 4.01 -1.05 -0.98 117.16 127.19 1o7b n TYR 91 Ca -0.11 -2.97 -0.30 0.00 -0.16 0.00 0.00 57.90 54.35 1o7b n TYR 91 Cb 0.52 -2.11 0.21 0.00 -0.31 0.00 0.00 39.34 37.66 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 -2.30 -1.09 -0.30 0.00 6.14 0.64 0.52 117.35 120.96 1o7b s TYR 93 Ca 0.62 2.09 -0.14 0.00 0.64 0.00 0.00 57.07 60.28 1o7b s TYR 93 Cb -0.18 0.65 0.16 0.00 0.42 0.00 0.00 41.96 43.01 1o7b s TYR 93 CO 0.66 -0.54 0.94 1.21 0.64 0.00 0.00 175.55 178.46 1o7b s ASN 94 N 1.93 -0.66 0.00 4.32 2.47 -1.12 -1.91 114.94 119.97 1o7b s ASN 94 Ca -0.09 0.87 0.10 0.00 0.42 0.00 0.00 52.86 54.16 1o7b s ASN 94 Cb -0.07 1.74 0.62 0.00 -1.45 0.00 0.00 41.25 42.09 1o7b s ASN 94 CO -0.19 -0.13 1.04 -0.81 -3.72 0.00 0.00 177.10 173.29 1o7b n PRO 95 N 5.07 0.42 0.00 0.43 -0.04 -1.26 -1.41 135.00 138.20 1o7b n PRO 95 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1o7b n PRO 95 Cb 0.52 -1.39 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.89 0.00 -1.16 0.54 -0.00 -1.26 -4.77 115.22 107.68 1o7b n HIS 96 Ca 0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 1o7b n HIS 96 Cb 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.93 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o7b n ALA 97 N -0.69 6.99 1.45 1.57 0.00 -0.50 -5.11 120.51 124.23 1o7b n ALA 97 Ca 0.00 -2.69 0.14 0.00 0.00 0.00 0.00 53.44 50.89 1o7b n ALA 97 Cb 0.01 -2.85 0.49 0.00 0.00 0.00 0.00 19.45 17.09 1o7b n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13