#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 4.32 0.26 1.61 0.11 -1.26 -3.21 120.40 122.22 1o7b s VAL 2 Ca 0.00 1.66 0.08 0.00 -2.93 0.00 0.00 61.98 60.79 1o7b s VAL 2 Cb 0.00 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.73 1o7b s VAL 2 CO 0.00 0.08 -0.11 -0.72 -3.33 0.00 0.00 175.10 171.02 1o7b s TYR 3 N 1.43 1.95 -0.18 1.54 1.13 0.34 -4.93 117.35 118.63 1o7b s TYR 3 Ca 0.56 -0.58 -0.09 0.00 -1.41 0.00 0.00 57.07 55.55 1o7b s TYR 3 Cb -0.26 -1.00 -0.05 0.00 -1.10 0.00 0.00 41.96 39.56 1o7b s TYR 3 CO 0.26 0.40 0.12 -3.38 -2.51 0.00 0.00 175.55 170.44 1o7b s HIS 4 N -2.89 3.42 0.08 -3.49 -3.43 -1.26 0.16 115.29 107.87 1o7b s HIS 4 Ca 0.27 0.33 -0.05 0.00 -0.80 0.00 0.00 55.06 54.81 1o7b s HIS 4 Cb 0.01 -2.09 -0.02 0.00 -1.43 0.00 0.00 32.58 29.04 1o7b s HIS 4 CO 0.11 0.36 0.10 1.03 -2.00 0.00 0.00 174.74 174.34 1o7b s ARG 5 N 0.05 0.76 0.00 -0.38 1.81 -0.03 -4.92 118.95 116.25 1o7b s ARG 5 Ca 0.09 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 1o7b s ARG 5 Cb -0.11 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 1o7b s ARG 5 CO -0.00 -0.21 0.00 -0.85 -0.68 0.00 0.00 175.30 173.56 1o7b n GLU 6 N 0.00 0.93 0.00 3.54 0.00 -1.26 -1.47 120.64 122.38 1o7b n GLU 6 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 1o7b n GLU 6 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 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 0.00 -0.35 -1.84 0.00 0.28 -4.80 120.51 110.80 1o7b n ALA 7 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1o7b n ALA 7 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.92 1o7b n ALA 7 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1o7b h ARG 8 N 0.00 0.37 0.00 0.00 0.11 -1.96 -3.35 114.38 109.55 1o7b h ARG 8 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1o7b h ARG 8 Cb 0.00 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.00 1o7b h ARG 8 CO 0.00 0.25 0.00 0.43 0.10 0.00 0.00 179.97 180.75 1o7b n SER 9 N -4.88 0.00 -4.73 0.08 7.64 -1.26 -5.13 113.62 105.33 1o7b n SER 9 Ca 0.30 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.95 1o7b n SER 9 Cb 0.94 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.08 1o7b n SER 9 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1o7b s GLY 10 N 0.00 1.78 0.15 0.23 0.00 -1.26 -5.10 107.32 103.13 1o7b s GLY 10 Ca 0.00 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.09 1o7b s GLY 10 CO 0.00 -1.69 -0.10 1.25 0.00 0.00 0.00 173.10 172.56 1o7b s LYS 11 N -3.81 2.08 -1.07 2.90 2.20 -1.26 1.00 119.74 121.78 1o7b s LYS 11 Ca 0.36 -1.18 -0.17 0.00 -0.36 0.00 0.00 55.97 54.62 1o7b s LYS 11 Cb -0.05 -2.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1o7b s LYS 11 CO 0.23 0.46 0.76 0.66 -0.36 0.00 0.00 175.35 177.10 1o7b n TYR 12 N 0.29 -2.00 -0.71 4.03 4.02 -1.23 -4.84 117.16 116.72 1o7b n TYR 12 Ca -0.12 0.54 0.00 0.00 -0.01 0.00 0.00 57.90 58.31 1o7b n TYR 12 Cb 0.54 -3.40 0.00 0.00 -0.02 0.00 0.00 39.34 36.46 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 -3.83 0.00 -3.00 -0.72 2.85 -1.09 -4.67 118.16 107.70 1o7b n LYS 13 Ca -0.11 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.98 1o7b n LYS 13 Cb 0.59 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.99 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1o7b s LEU 14 N 0.00 3.62 0.00 -5.58 0.05 -1.07 -4.77 118.68 110.92 1o7b s LEU 14 Ca 0.00 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 53.75 1o7b s LEU 14 Cb 0.00 -2.62 0.00 0.00 -2.05 0.00 0.00 46.19 41.52 1o7b s LEU 14 CO 0.00 -0.80 0.00 0.35 -0.55 0.00 0.00 176.35 175.35 1o7b n THR 15 N -1.88 0.00 -0.05 5.48 -2.24 -1.26 -1.58 114.28 112.74 1o7b n THR 15 Ca 0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1o7b n THR 15 Cb 0.59 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.33 4.78 3.20 -1.85 -1.48 116.97 121.29 1o7b h TYR 16 Ca 0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1o7b h TYR 16 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1o7b h TYR 16 CO 0.00 0.21 0.22 0.00 -1.64 0.00 0.00 178.16 176.95 1o7b h ALA 17 N -0.80 1.90 0.31 1.82 0.00 -1.98 -1.67 119.26 118.83 1o7b h ALA 17 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1o7b h ALA 17 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1o7b h ALA 17 CO -0.00 0.06 -0.15 0.93 0.00 0.00 0.00 179.25 180.09 1o7b h GLU 18 N 0.33 -0.40 -1.00 0.00 5.08 -1.96 -2.68 114.58 113.95 1o7b h GLU 18 Ca 0.13 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 58.86 1o7b h GLU 18 Cb 0.12 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.28 1o7b h GLU 18 CO -0.03 -0.26 0.28 0.00 -1.00 0.00 0.00 179.01 178.00 1o7b h ALA 19 N -1.54 1.66 0.09 3.43 0.00 -1.05 0.40 119.26 122.26 1o7b h ALA 19 Ca -0.04 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1o7b h ALA 19 Cb 0.32 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1o7b h ALA 19 CO 0.07 -0.76 -0.04 -0.22 0.00 0.00 0.00 179.25 178.29 1o7b h LYS 20 N 0.01 -0.12 -0.87 0.00 3.64 -1.34 -2.32 116.57 115.56 1o7b h LYS 20 Ca 0.72 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.16 1o7b h LYS 20 Cb 1.73 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.52 1o7b h LYS 20 CO -0.85 0.04 0.55 0.00 -2.27 0.00 0.00 179.45 176.92 1o7b h ALA 21 N 0.64 1.17 -0.92 5.00 0.00 0.06 -1.19 119.26 124.02 1o7b h ALA 21 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1o7b h ALA 21 Cb 0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1o7b h ALA 21 CO 0.02 0.35 0.60 0.28 0.00 0.00 0.00 179.25 180.50 1o7b h VAL 22 N 1.04 1.08 0.38 0.00 2.07 -0.81 -0.56 116.25 119.45 1o7b h VAL 22 Ca 0.36 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1o7b h VAL 22 Cb 0.08 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1o7b h VAL 22 CO -0.14 0.19 -0.18 0.00 0.02 0.00 0.00 177.57 177.46 1o7b h GLU 24 N -0.92 0.00 0.00 0.00 5.08 -0.13 0.17 114.58 118.78 1o7b h GLU 24 Ca -0.05 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 1o7b h GLU 24 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1o7b h GLU 24 CO 0.09 0.00 -1.52 0.34 -1.00 0.00 0.00 179.01 176.92 1o7b n PHE 25 N -3.33 0.91 1.02 4.33 7.35 -0.24 -3.91 117.46 123.59 1o7b n PHE 25 Ca -0.01 0.31 0.12 0.00 -0.76 0.00 0.00 57.45 57.11 1o7b n PHE 25 Cb 0.26 -1.08 0.30 0.00 0.35 0.00 0.00 39.48 39.31 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 -2.88 2.07 -1.04 -4.13 1.02 0.22 -4.96 120.64 110.94 1o7b n GLU 26 Ca -0.12 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 1o7b n GLU 26 Cb 0.88 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 1.29 0.19 0.00 0.62 0.00 0.35 -5.02 105.19 102.63 1o7b n GLY 27 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.75 -1.42 3.29 -0.02 0.00 -0.26 -4.35 105.19 101.68 1o7b n GLY 28 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1o7b n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1o7b s HIS 29 N -2.94 0.63 -0.04 1.61 0.09 -0.74 -1.24 115.29 112.65 1o7b s HIS 29 Ca 0.00 -0.98 -0.30 0.00 -0.00 0.00 0.00 55.06 53.79 1o7b s HIS 29 Cb 0.00 -0.22 -0.07 0.00 -0.00 0.00 0.00 32.58 32.29 1o7b s HIS 29 CO 0.00 -0.68 1.88 -0.51 -0.00 0.00 0.00 174.74 175.43 1o7b s LEU 30 N -3.02 4.23 0.00 0.89 1.43 -1.26 -0.08 118.68 120.87 1o7b s LEU 30 Ca 0.23 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1o7b s LEU 30 Cb 0.05 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1o7b s LEU 30 CO 0.03 -1.15 0.00 0.00 0.23 0.00 0.00 176.35 175.46 1o7b n ALA 31 N 8.04 0.00 -2.33 4.21 0.00 -0.71 -4.68 120.51 125.03 1o7b n ALA 31 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1o7b n ALA 31 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.56 0.71 0.10 0.00 -4.23 -1.26 -3.58 115.64 106.82 1o7b s THR 32 Ca 0.00 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 1o7b s THR 32 Cb 0.00 -2.59 -0.11 0.00 1.34 0.00 0.00 72.50 71.14 1o7b s THR 32 CO 0.00 -0.07 1.67 0.22 -0.54 0.00 0.00 174.62 175.90 1o7b h TYR 33 N 2.38 -0.49 -0.43 3.99 3.20 -1.98 0.08 116.97 123.72 1o7b h TYR 33 Ca -0.38 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.56 1o7b h TYR 33 Cb 1.24 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.64 1o7b h TYR 33 CO 0.49 -0.28 0.06 -0.22 -1.64 0.00 0.00 178.16 176.58 1o7b h LYS 34 N -0.38 0.18 -0.51 1.82 3.64 -2.00 0.11 116.57 119.42 1o7b h LYS 34 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1o7b h LYS 34 Cb 0.38 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1o7b h LYS 34 CO -0.07 0.12 0.34 1.96 -2.27 0.00 0.00 179.45 179.53 1o7b h GLN 35 N 0.18 0.61 -0.27 1.90 4.20 -1.89 -0.28 115.11 119.57 1o7b h GLN 35 Ca 0.21 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1o7b h GLN 35 Cb 0.27 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1o7b h GLN 35 CO -0.30 0.41 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.16 1o7b h LEU 36 N 0.63 0.39 0.66 1.46 -0.00 0.99 -2.29 115.31 117.14 1o7b h LEU 36 Ca 0.20 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1o7b h LEU 36 Cb 0.02 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1o7b h LEU 36 CO -0.05 0.48 -0.32 -0.08 -0.00 0.00 0.00 178.44 178.47 1o7b h GLU 37 N 0.40 -0.85 -0.85 1.13 4.81 -0.22 -1.50 114.58 117.50 1o7b h GLU 37 Ca 0.09 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.61 1o7b h GLU 37 Cb 0.32 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1o7b h GLU 37 CO 0.01 -0.53 0.60 0.00 -0.73 0.00 0.00 179.01 178.36 1o7b h ALA 38 N -0.82 2.66 -0.00 2.92 0.00 -1.34 0.96 119.26 123.64 1o7b h ALA 38 Ca -0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1o7b h ALA 38 Cb 0.72 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1o7b h ALA 38 CO 0.15 -0.91 -0.62 0.00 0.00 0.00 0.00 179.25 177.87 1o7b h ALA 39 N 1.59 0.98 -0.02 0.00 0.00 -1.03 -3.07 119.26 117.70 1o7b h ALA 39 Ca 0.41 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1o7b h ALA 39 Cb 1.49 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1o7b h ALA 39 CO -0.04 0.77 -0.92 -0.09 0.00 0.00 0.00 179.25 178.97 1o7b h ARG 40 N 0.00 0.50 -0.92 0.00 2.43 0.19 -1.35 114.38 115.24 1o7b h ARG 40 Ca -0.01 -0.50 0.22 0.00 -0.81 0.00 0.00 59.98 58.89 1o7b h ARG 40 Cb 1.10 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1o7b h ARG 40 CO 0.08 1.14 0.62 0.87 -1.51 0.00 0.00 179.97 181.17 1o7b h LYS 41 N 0.30 0.29 0.06 0.20 1.57 -1.05 0.67 116.57 118.61 1o7b h LYS 41 Ca -0.08 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.40 1o7b h LYS 41 Cb 1.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.77 1o7b h LYS 41 CO 0.17 0.19 -1.46 -0.84 -0.57 0.00 0.00 179.45 176.94 1o7b h ILE 42 N 0.30 1.20 0.00 1.86 3.07 -1.62 -3.48 117.51 118.83 1o7b h ILE 42 Ca 0.47 -2.91 0.00 0.00 1.55 0.00 0.00 64.86 63.98 1o7b h ILE 42 Cb 1.35 2.70 0.00 0.00 -0.27 0.00 0.00 36.82 40.59 1o7b h ILE 42 CO -0.15 0.78 0.00 0.61 -1.05 0.00 0.00 178.15 178.34 1o7b n GLY 43 N 1.58 0.68 3.53 0.16 0.00 0.23 -5.07 105.19 106.30 1o7b n GLY 43 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.38 2.91 -0.31 1.61 5.36 -0.52 -4.97 117.98 121.69 1o7b s PHE 44 Ca 0.00 -1.46 -0.17 0.00 -0.96 0.00 0.00 56.93 54.35 1o7b s PHE 44 Cb 0.00 -4.57 -0.02 0.00 -0.34 0.00 0.00 43.02 38.09 1o7b s PHE 44 CO 0.00 -1.71 0.44 -1.58 -1.46 0.00 0.00 175.22 170.92 1o7b s HIS 45 N 3.64 3.22 -0.30 10.12 5.65 -1.26 -4.73 115.29 131.62 1o7b s HIS 45 Ca 0.46 0.30 -0.10 0.00 0.25 0.00 0.00 55.06 55.97 1o7b s HIS 45 Cb -0.00 -2.73 0.13 0.00 -1.18 0.00 0.00 32.58 28.80 1o7b s HIS 45 CO -0.02 -0.38 0.66 0.54 -0.65 0.00 0.00 174.74 174.89 1o7b s VAL 46 N 2.21 -0.99 -2.05 0.89 0.11 -1.04 -4.96 120.40 114.57 1o7b s VAL 46 Ca 0.17 0.00 0.18 0.00 -2.93 0.00 0.00 61.98 59.40 1o7b s VAL 46 Cb -0.16 -1.00 0.49 0.00 -1.53 0.00 0.00 36.38 34.18 1o7b s VAL 46 CO 0.11 0.00 1.65 0.00 -3.33 0.00 0.00 175.10 173.53 1o7b s ALA 48 N -1.96 3.64 0.13 0.00 0.00 -1.26 -4.88 121.76 117.44 1o7b s ALA 48 Ca 0.27 -3.01 -0.33 0.00 0.00 0.00 0.00 51.96 48.90 1o7b s ALA 48 Cb 0.13 -3.99 -0.18 0.00 0.00 0.00 0.00 23.12 19.09 1o7b s ALA 48 CO 0.21 -2.82 0.84 0.00 0.00 0.00 0.00 175.76 173.99 1o7b n ALA 49 N 5.90 -2.65 -3.25 0.00 0.00 -1.25 -4.67 120.51 114.58 1o7b n ALA 49 Ca 0.26 0.50 -0.33 0.00 0.00 0.00 0.00 53.44 53.86 1o7b n ALA 49 Cb 0.47 -1.75 -0.15 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.47 1.46 0.38 0.00 0.00 -0.28 -0.13 107.32 108.29 1o7b s GLY 50 Ca 0.74 -0.97 -0.28 0.00 0.00 0.00 0.00 44.72 44.22 1o7b s GLY 50 CO 0.56 -0.14 1.41 -0.98 0.00 0.00 0.00 173.10 173.95 1o7b s TRP 51 N 0.52 2.70 0.28 1.90 0.52 -0.99 -3.97 118.94 119.90 1o7b s TRP 51 Ca -0.11 1.27 0.06 0.00 0.02 0.00 0.00 56.10 57.34 1o7b s TRP 51 Cb -0.16 -3.88 -0.02 0.00 -1.15 0.00 0.00 33.47 28.25 1o7b s TRP 51 CO 0.04 -2.61 0.20 0.00 0.02 0.00 0.00 176.95 174.60 1o7b n MET 52 N 0.40 0.40 -1.23 4.98 0.00 0.07 -3.90 117.12 117.84 1o7b n MET 52 Ca 0.02 -2.69 -0.37 0.00 0.00 0.00 0.00 57.70 54.66 1o7b n MET 52 Cb 0.41 2.03 0.05 0.00 0.00 0.00 0.00 33.22 35.71 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 -1.23 -2.29 -0.59 3.17 0.00 -1.23 -0.90 120.51 117.42 1o7b n ALA 53 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1o7b n ALA 53 Cb 0.49 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.10 0.00 -2.54 0.00 4.01 -1.26 -2.55 118.16 115.92 1o7b n LYS 54 Ca 0.08 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.83 1o7b n LYS 54 Cb 0.50 -3.67 0.01 0.00 -0.51 0.00 0.00 35.03 31.36 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 0.46 3.88 0.72 0.00 -0.08 -5.01 105.19 103.16 1o7b n GLY 55 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.97 3.78 0.07 1.61 3.52 -1.05 -4.69 118.95 117.22 1o7b s ARG 56 Ca 0.09 0.23 0.06 0.00 -0.13 0.00 0.00 55.73 55.98 1o7b s ARG 56 Cb -0.04 -2.70 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1o7b s ARG 56 CO 0.12 0.35 -0.16 0.14 -0.81 0.00 0.00 175.30 174.94 1o7b s VAL 57 N -1.77 1.29 -0.12 7.11 -7.23 -1.26 -0.75 120.40 117.67 1o7b s VAL 57 Ca 0.46 -1.26 -0.33 0.00 -1.81 0.00 0.00 61.98 59.04 1o7b s VAL 57 Cb -0.12 -1.19 0.13 0.00 0.56 0.00 0.00 36.38 35.77 1o7b s VAL 57 CO 0.21 -0.08 1.23 -0.83 -0.31 0.00 0.00 175.10 175.32 1o7b s GLY 58 N -1.55 -0.34 -0.22 2.32 0.00 -1.26 -4.11 107.32 102.17 1o7b s GLY 58 Ca 0.02 1.24 -0.03 0.00 0.00 0.00 0.00 44.72 45.94 1o7b s GLY 58 CO 0.02 0.37 0.21 -2.52 0.00 0.00 0.00 173.10 171.18 1o7b s TYR 59 N -2.44 -0.18 -0.45 1.90 1.13 -0.66 -1.12 117.35 115.53 1o7b s TYR 59 Ca 0.11 -0.04 -0.28 0.00 -1.41 0.00 0.00 57.07 55.45 1o7b s TYR 59 Cb 0.01 -0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 40.38 1o7b s TYR 59 CO -0.04 -0.67 1.68 -1.25 -2.51 0.00 0.00 175.55 172.75 1o7b s PRO 60 N 2.28 3.20 -0.36 -3.49 0.04 -1.25 -1.55 135.00 133.88 1o7b s PRO 60 Ca 0.07 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 61.96 1o7b s PRO 60 Cb -0.15 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.18 1o7b s PRO 60 CO -0.18 -2.03 0.28 0.42 0.04 0.00 0.00 177.00 175.53 1o7b s ILE 61 N 7.02 5.26 -0.15 0.56 -1.09 -0.98 -2.51 121.20 129.31 1o7b s ILE 61 Ca 0.69 -0.29 0.13 0.00 -2.23 0.00 0.00 60.65 58.95 1o7b s ILE 61 Cb -0.17 -3.79 -0.24 0.00 -1.58 0.00 0.00 42.46 36.69 1o7b s ILE 61 CO 0.29 -0.10 0.27 0.52 -1.23 0.00 0.00 174.94 174.68 1o7b n VAL 62 N 5.15 1.51 -3.73 2.92 0.31 -1.26 -1.72 118.33 121.50 1o7b n VAL 62 Ca -0.12 -0.79 -0.33 0.00 -0.01 0.00 0.00 64.34 63.09 1o7b n VAL 62 Cb 0.49 -0.86 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 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 -2.54 2.99 0.38 5.55 2.47 -1.26 -4.95 119.74 122.38 1o7b s LYS 63 Ca -0.12 -3.30 -0.26 0.00 -1.56 0.00 0.00 55.97 50.74 1o7b s LYS 63 Cb 0.07 -3.77 -0.09 0.00 -1.46 0.00 0.00 37.83 32.58 1o7b s LYS 63 CO 0.80 -1.27 1.16 -1.25 0.16 0.00 0.00 175.35 174.95 1o7b s PRO 64 N -1.38 4.15 0.00 4.03 0.04 -1.26 -4.73 135.00 135.85 1o7b s PRO 64 Ca 0.26 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1o7b s PRO 64 Cb -0.07 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1o7b s PRO 64 CO -0.14 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1o7b n GLY 65 N 0.68 -2.21 0.00 0.56 0.00 -1.26 -4.83 105.19 98.13 1o7b n GLY 65 Ca 0.03 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 0.00 1.98 0.00 1.61 -0.02 -1.26 -4.15 135.00 133.16 1o7b n PRO 66 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1o7b n PRO 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 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 0.00 0.00 0.07 2.55 2.85 -1.26 -0.60 115.26 118.87 1o7b n ASN 67 Ca 0.00 0.40 -0.19 0.00 -0.11 0.00 0.00 54.58 54.68 1o7b n ASN 67 Cb 0.00 -0.40 -0.15 0.00 1.24 0.00 0.00 39.78 40.47 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1o7b s GLY 69 N -4.99 0.83 0.05 0.00 0.00 0.23 -4.79 107.32 98.66 1o7b s GLY 69 Ca -0.11 0.45 0.23 0.00 0.00 0.00 0.00 44.72 45.29 1o7b s GLY 69 CO 0.86 3.35 0.94 0.33 0.00 0.00 0.00 173.10 178.58 1o7b n PHE 70 N 10.18 0.30 0.00 1.90 7.35 -1.26 -4.68 117.46 131.24 1o7b n PHE 70 Ca 0.24 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1o7b n PHE 70 Cb 0.46 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.80 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 1.34 1.81 4.00 7.13 0.00 -1.26 -5.12 105.19 113.09 1o7b n GLY 71 Ca 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 2.19 -0.12 1.61 1.02 -1.26 -5.04 119.74 118.13 1o7b s LYS 72 Ca 0.00 -1.18 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 1o7b s LYS 72 Cb 0.00 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1o7b s LYS 72 CO 0.00 -0.98 -0.10 0.95 -0.92 0.00 0.00 175.35 174.31 1o7b s THR 73 N -2.83 3.39 0.00 2.17 -4.23 -1.26 -4.91 115.64 107.96 1o7b s THR 73 Ca 0.62 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1o7b s THR 73 Cb -0.07 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1o7b s THR 73 CO 0.40 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.62 1o7b n GLY 74 N 3.29 1.58 3.67 3.99 0.00 -0.70 -4.99 105.19 112.03 1o7b n GLY 74 Ca -0.18 -1.93 -0.49 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.89 0.56 -3.14 -0.61 5.41 -1.26 -2.32 119.36 116.12 1o7b n ILE 75 Ca 0.00 -0.12 -0.45 0.00 1.00 0.00 0.00 62.75 63.18 1o7b n ILE 75 Cb 0.00 -1.87 -0.01 0.00 -0.71 0.00 0.00 39.64 37.05 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 4.29 5.33 -0.24 1.39 1.01 -0.59 -4.84 121.20 127.55 1o7b s ILE 76 Ca 0.94 -2.47 -0.01 0.00 0.00 0.00 0.00 60.65 59.10 1o7b s ILE 76 Cb -0.70 -4.68 0.02 0.00 0.01 0.00 0.00 42.46 37.11 1o7b s ILE 76 CO 0.52 -1.32 -0.07 -0.62 0.00 0.00 0.00 174.94 173.44 1o7b s ASP 77 N 2.53 4.20 0.00 3.58 -1.08 -1.26 -1.65 116.67 122.98 1o7b s ASP 77 Ca 0.30 -0.82 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 1o7b s ASP 77 Cb -0.07 -1.65 0.51 0.00 -1.46 0.00 0.00 42.92 40.25 1o7b s ASP 77 CO -0.07 -0.11 1.38 -1.22 0.52 0.00 0.00 175.17 175.68 1o7b n TYR 78 N 4.67 0.32 0.00 -5.34 4.02 -1.26 -5.03 117.16 114.55 1o7b n TYR 78 Ca -0.17 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 1o7b n TYR 78 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.05 -1.93 3.53 2.72 0.00 -1.26 -4.92 105.19 104.38 1o7b n GLY 79 Ca 0.13 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.30 2.25 -0.21 -0.61 2.08 -1.26 -4.76 119.36 115.55 1o7b n ILE 80 Ca 0.00 -0.50 0.09 0.00 0.56 0.00 0.00 62.75 62.90 1o7b n ILE 80 Cb 0.00 -0.84 0.30 0.00 -0.75 0.00 0.00 39.64 38.36 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 0.21 3.02 -1.59 0.38 5.12 -1.26 -4.90 116.66 117.64 1o7b n ARG 81 Ca 0.11 -2.42 -0.20 0.00 -1.93 0.00 0.00 57.85 53.41 1o7b n ARG 81 Cb 0.41 -1.69 -0.08 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.14 -1.46 -3.18 0.55 7.99 -1.26 -4.90 117.00 115.87 1o7b n LEU 82 Ca 0.22 0.49 0.04 0.00 -0.01 0.00 0.00 56.01 56.75 1o7b n LEU 82 Cb 0.69 -2.76 -0.02 0.00 -0.11 0.00 0.00 43.42 41.22 1o7b n LEU 82 CO 0.18 -1.03 0.45 0.21 -1.51 0.00 0.00 177.39 175.69 1o7b s ASN 83 N -2.78 -0.77 0.00 -1.43 3.84 -1.26 -5.01 114.94 107.53 1o7b s ASN 83 Ca 0.00 0.54 0.00 0.00 0.21 0.00 0.00 52.86 53.61 1o7b s ASN 83 Cb 0.00 1.67 0.00 0.00 -0.55 0.00 0.00 41.25 42.37 1o7b s ASN 83 CO 0.00 -0.14 0.53 0.54 -2.79 0.00 0.00 177.10 175.23 1o7b n ARG 84 N 5.41 0.66 0.00 0.43 3.00 -1.26 -3.28 116.66 121.62 1o7b n ARG 84 Ca -0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 57.91 1o7b n ARG 84 Cb 0.53 -1.23 0.31 0.00 0.00 0.00 0.00 32.46 32.06 1o7b n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1o7b n SER 85 N 0.48 1.33 -4.64 0.55 2.88 -1.26 -3.46 113.62 109.50 1o7b n SER 85 Ca 0.00 -1.11 -0.30 0.00 -1.33 0.00 0.00 58.87 56.13 1o7b n SER 85 Cb 0.26 0.18 0.18 0.00 -0.75 0.00 0.00 64.21 64.09 1o7b n SER 85 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1o7b s GLU 86 N -2.43 0.54 -0.26 -1.46 0.41 -1.20 -4.94 118.70 109.36 1o7b s GLU 86 Ca 0.25 1.07 -0.03 0.00 -0.41 0.00 0.00 54.97 55.85 1o7b s GLU 86 Cb 0.19 -1.71 0.02 0.00 -1.78 0.00 0.00 34.13 30.85 1o7b s GLU 86 CO 0.50 -2.80 -0.02 1.03 -0.49 0.00 0.00 175.26 173.48 1o7b s ARG 87 N -4.70 2.94 0.00 1.61 0.52 -1.25 -4.11 118.95 113.96 1o7b s ARG 87 Ca 0.66 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1o7b s ARG 87 Cb -0.22 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.15 1o7b s ARG 87 CO 0.60 -0.40 0.00 0.91 0.02 0.00 0.00 175.30 176.42 1o7b n TRP 88 N 4.73 0.00 -0.91 -0.53 5.03 -0.61 -4.46 117.44 120.69 1o7b n TRP 88 Ca -0.16 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.37 1o7b n TRP 88 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.75 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 -3.61 -0.99 9.92 0.81 -2.61 116.55 120.07 1o7b n ASP 89 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1o7b n ASP 89 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 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 -2.11 -2.12 -1.27 2.24 0.00 -0.54 -2.35 121.76 115.60 1o7b s ALA 90 Ca 0.00 2.32 -0.11 0.00 0.00 0.00 0.00 51.96 54.16 1o7b s ALA 90 Cb 0.00 -1.71 0.16 0.00 0.00 0.00 0.00 23.12 21.56 1o7b s ALA 90 CO 0.00 -0.72 1.77 0.66 0.00 0.00 0.00 175.76 177.47 1o7b n TYR 91 N 4.89 3.66 -0.87 0.00 4.01 -1.25 -0.85 117.16 126.74 1o7b n TYR 91 Ca -0.15 -2.97 -0.34 0.00 -0.16 0.00 0.00 57.90 54.28 1o7b n TYR 91 Cb 0.53 -2.09 0.09 0.00 -0.31 0.00 0.00 39.34 37.56 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 -2.22 -1.22 -0.30 0.00 6.14 0.89 0.13 117.35 120.77 1o7b s TYR 93 Ca 0.49 2.22 -0.11 0.00 0.64 0.00 0.00 57.07 60.31 1o7b s TYR 93 Cb -0.18 0.72 0.16 0.00 0.42 0.00 0.00 41.96 43.08 1o7b s TYR 93 CO 0.73 -0.61 0.85 1.21 0.64 0.00 0.00 175.55 178.37 1o7b s ASN 94 N 2.45 -0.83 0.00 4.32 2.47 -1.20 -1.80 114.94 120.35 1o7b s ASN 94 Ca -0.07 0.96 0.07 0.00 0.42 0.00 0.00 52.86 54.24 1o7b s ASN 94 Cb -0.10 1.88 0.39 0.00 -1.45 0.00 0.00 41.25 41.97 1o7b s ASN 94 CO -0.19 -0.16 0.82 -0.81 -3.72 0.00 0.00 177.10 173.04 1o7b n PRO 95 N 5.23 0.42 0.00 0.43 -0.04 -1.26 -1.42 135.00 138.36 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 0.51 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.75 0.00 -1.14 0.54 -0.00 -1.26 -4.81 115.22 107.81 1o7b n HIS 96 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.53 1o7b n HIS 96 Cb 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.90 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 -0.71 6.90 1.82 1.57 0.00 -0.50 -5.10 120.51 124.49 1o7b n ALA 97 Ca 0.00 -2.57 0.15 0.00 0.00 0.00 0.00 53.44 51.02 1o7b n ALA 97 Cb 0.01 -2.78 0.80 0.00 0.00 0.00 0.00 19.45 17.48 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67