#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 4.62 0.08 1.61 0.11 -1.26 -1.30 120.40 124.25 1o7b s VAL 2 Ca 0.00 1.61 0.02 0.00 -2.93 0.00 0.00 61.98 60.68 1o7b s VAL 2 Cb 0.00 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1o7b s VAL 2 CO 0.00 0.43 -0.07 -0.72 -3.33 0.00 0.00 175.10 171.41 1o7b s TYR 3 N -0.47 0.78 -0.18 1.54 1.13 -0.04 -4.92 117.35 115.20 1o7b s TYR 3 Ca 0.37 -0.78 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 1o7b s TYR 3 Cb -0.21 -0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 40.16 1o7b s TYR 3 CO 0.23 -0.14 -0.04 -1.58 -2.51 0.00 0.00 175.55 171.51 1o7b s HIS 4 N -2.87 2.98 0.34 -3.49 2.46 -1.26 0.28 115.29 113.73 1o7b s HIS 4 Ca 0.04 -0.54 0.04 0.00 0.47 0.00 0.00 55.06 55.07 1o7b s HIS 4 Cb 0.00 -2.01 -0.07 0.00 -0.13 0.00 0.00 32.58 30.37 1o7b s HIS 4 CO -0.03 -0.24 0.05 1.03 -2.47 0.00 0.00 174.74 173.08 1o7b s ARG 5 N 0.81 1.72 0.00 2.88 1.81 0.63 -4.95 118.95 121.84 1o7b s ARG 5 Ca -0.01 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.04 1o7b s ARG 5 Cb -0.15 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.35 1o7b s ARG 5 CO 0.02 -0.17 0.00 -1.91 -0.68 0.00 0.00 175.30 172.56 1o7b n GLU 6 N -0.75 2.04 -0.43 3.54 4.07 -1.26 -1.89 120.64 125.96 1o7b n GLU 6 Ca -0.03 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.00 1o7b n GLU 6 Cb 0.67 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 32.10 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1o7b n ALA 7 N -3.00 -0.46 -0.29 4.31 0.00 -1.05 -4.82 120.51 115.20 1o7b n ALA 7 Ca 0.00 -0.42 0.17 0.00 0.00 0.00 0.00 53.44 53.19 1o7b n ALA 7 Cb 0.00 -0.02 0.44 0.00 0.00 0.00 0.00 19.45 19.87 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 0.53 0.00 0.00 -0.00 -2.00 -3.37 114.38 109.53 1o7b h ARG 8 Ca -0.10 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 1o7b h ARG 8 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1o7b h ARG 8 CO 0.07 0.35 0.00 0.45 0.00 0.00 0.00 179.97 180.84 1o7b n SER 9 N -4.60 0.00 -4.61 7.04 2.88 -1.26 -5.15 113.62 107.91 1o7b n SER 9 Ca 0.21 -0.51 -0.25 0.00 -1.33 0.00 0.00 58.87 56.99 1o7b n SER 9 Cb 0.67 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.04 1o7b n SER 9 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1o7b s GLY 10 N 0.00 2.10 -0.05 0.46 0.00 -1.26 -5.14 107.32 103.43 1o7b s GLY 10 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 44.72 42.71 1o7b s GLY 10 CO 0.00 -1.94 0.03 1.25 0.00 0.00 0.00 173.10 172.44 1o7b s LYS 11 N -3.69 2.98 -1.06 2.90 2.20 -1.26 -2.51 119.74 119.29 1o7b s LYS 11 Ca 0.34 -0.45 -0.20 0.00 -0.36 0.00 0.00 55.97 55.30 1o7b s LYS 11 Cb 0.01 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1o7b s LYS 11 CO 0.19 0.68 0.68 0.66 -0.36 0.00 0.00 175.35 177.20 1o7b n TYR 12 N 1.77 -1.75 -2.02 4.03 4.01 -1.26 -4.86 117.16 117.07 1o7b n TYR 12 Ca -0.17 0.41 -0.01 0.00 -0.16 0.00 0.00 57.90 57.98 1o7b n TYR 12 Cb 0.53 -2.96 -0.01 0.00 -0.31 0.00 0.00 39.34 36.60 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 -4.03 0.00 -3.83 -0.72 2.85 -1.20 -4.50 118.16 106.74 1o7b n LYS 13 Ca -0.16 -0.43 -0.26 0.00 -1.05 0.00 0.00 58.31 56.40 1o7b n LYS 13 Cb 0.60 -0.03 -0.03 0.00 -0.65 0.00 0.00 35.03 34.92 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 4.28 0.00 -5.58 1.43 -0.14 -4.82 118.68 113.85 1o7b s LEU 14 Ca 0.02 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1o7b s LEU 14 Cb 0.02 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1o7b s LEU 14 CO -0.01 -0.01 0.00 0.35 0.23 0.00 0.00 176.35 176.91 1o7b n THR 15 N -0.75 0.00 -0.07 5.49 -2.24 -1.26 -1.84 114.28 113.61 1o7b n THR 15 Ca -0.06 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1o7b n THR 15 Cb 0.54 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.09 0.00 0.00 4.78 3.20 -1.86 -2.52 116.97 120.65 1o7b h TYR 16 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 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 0.51 -0.09 0.00 -1.64 0.00 0.00 178.16 176.94 1o7b h ALA 17 N -0.69 1.82 0.09 1.82 0.00 -1.99 -1.56 119.26 118.75 1o7b h ALA 17 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1o7b h ALA 17 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1o7b h ALA 17 CO -0.04 0.11 -0.05 0.93 0.00 0.00 0.00 179.25 180.21 1o7b h GLU 18 N 0.00 -0.12 -0.44 0.00 5.08 -1.97 -2.53 114.58 114.60 1o7b h GLU 18 Ca -0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1o7b h GLU 18 Cb 0.17 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1o7b h GLU 18 CO 0.01 0.32 -0.18 0.00 -1.00 0.00 0.00 179.01 178.16 1o7b h ALA 19 N -0.44 0.16 -0.33 3.43 0.00 -1.29 0.33 119.26 121.12 1o7b h ALA 19 Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1o7b h ALA 19 Cb 0.50 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1o7b h ALA 19 CO 0.02 -0.53 0.10 -0.22 0.00 0.00 0.00 179.25 178.62 1o7b h LYS 20 N -0.09 0.22 -0.80 0.00 3.64 -1.41 -1.37 116.57 116.76 1o7b h LYS 20 Ca 0.21 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1o7b h LYS 20 Cb 0.42 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1o7b h LYS 20 CO -0.50 0.15 0.53 0.00 -2.27 0.00 0.00 179.45 177.36 1o7b h ALA 21 N 1.22 1.53 -0.91 5.00 0.00 -0.68 -1.15 119.26 124.28 1o7b h ALA 21 Ca 0.15 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1o7b h ALA 21 Cb 0.14 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1o7b h ALA 21 CO -0.17 0.38 0.56 0.28 0.00 0.00 0.00 179.25 180.30 1o7b h VAL 22 N 0.97 0.98 0.42 0.00 2.07 0.73 0.21 116.25 121.63 1o7b h VAL 22 Ca 0.32 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1o7b h VAL 22 Cb 0.07 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1o7b h VAL 22 CO -0.10 0.17 -0.20 0.00 0.02 0.00 0.00 177.57 177.46 1o7b h GLU 24 N -0.96 0.00 0.07 0.00 5.08 -0.03 0.70 114.58 119.45 1o7b h GLU 24 Ca -0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1o7b h GLU 24 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1o7b h GLU 24 CO 0.09 0.00 -1.61 0.35 -1.00 0.00 0.00 179.01 176.84 1o7b h PHE 25 N 0.00 0.27 0.00 4.33 3.57 -0.50 -3.35 116.94 121.27 1o7b h PHE 25 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1o7b h PHE 25 Cb 0.48 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1o7b h PHE 25 CO 0.00 1.29 -1.02 0.39 -2.23 0.00 0.00 178.31 176.74 1o7b n GLU 26 N -3.32 0.17 0.00 1.11 1.02 0.10 -4.99 120.64 114.74 1o7b n GLU 26 Ca -0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1o7b n GLU 26 Cb 1.04 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 1.43 0.75 0.00 0.62 0.00 0.20 -5.09 105.19 103.11 1o7b n GLY 27 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -1.17 3.43 -0.02 0.00 -0.55 -4.90 105.19 101.98 1o7b n GLY 28 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.00 0.76 0.01 1.61 -3.43 -1.03 -1.20 115.29 109.00 1o7b s HIS 29 Ca 0.00 -1.04 -0.30 0.00 -0.80 0.00 0.00 55.06 52.91 1o7b s HIS 29 Cb 0.00 -0.13 -0.06 0.00 -1.43 0.00 0.00 32.58 30.96 1o7b s HIS 29 CO 0.00 -0.88 1.52 -0.51 -2.00 0.00 0.00 174.74 172.88 1o7b s LEU 30 N -3.10 4.33 0.00 5.38 1.43 -1.26 -0.36 118.68 125.10 1o7b s LEU 30 Ca 0.30 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1o7b s LEU 30 Cb 0.02 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1o7b s LEU 30 CO 0.12 -0.81 0.00 0.00 0.23 0.00 0.00 176.35 175.88 1o7b n ALA 31 N 5.81 0.00 -2.25 4.21 0.00 -0.06 -4.51 120.51 123.71 1o7b n ALA 31 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 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 -0.61 0.79 0.13 0.00 -4.23 -1.26 -2.59 115.64 107.86 1o7b s THR 32 Ca 0.00 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1o7b s THR 32 Cb 0.00 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1o7b s THR 32 CO 0.00 -0.52 1.62 0.22 -0.54 0.00 0.00 174.62 175.40 1o7b h TYR 33 N 2.69 -0.86 -0.61 3.99 3.20 -1.97 0.09 116.97 123.51 1o7b h TYR 33 Ca -0.37 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.65 1o7b h TYR 33 Cb 1.20 0.38 -0.09 0.00 1.54 0.00 0.00 36.73 39.77 1o7b h TYR 33 CO 0.56 -0.40 0.14 0.87 -1.64 0.00 0.00 178.16 177.68 1o7b h LYS 34 N -0.44 0.26 -0.37 1.82 1.57 -2.00 0.25 116.57 117.66 1o7b h LYS 34 Ca 0.07 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1o7b h LYS 34 Cb 0.54 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1o7b h LYS 34 CO -0.29 0.17 0.25 1.96 -0.57 0.00 0.00 179.45 180.97 1o7b h GLN 35 N 0.27 0.45 -0.15 3.15 4.20 -1.75 -0.25 115.11 121.03 1o7b h GLN 35 Ca 0.32 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 1o7b h GLN 35 Cb 0.48 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1o7b h GLN 35 CO -0.41 0.30 -0.18 -0.07 -0.67 0.00 0.00 178.83 177.80 1o7b h LEU 36 N 0.46 0.25 0.58 1.46 -0.00 0.14 -2.27 115.31 115.93 1o7b h LEU 36 Ca 0.14 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 1o7b h LEU 36 Cb 0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1o7b h LEU 36 CO -0.03 0.45 -0.28 -0.08 -0.00 0.00 0.00 178.44 178.50 1o7b h GLU 37 N 0.24 -0.75 -0.80 1.13 4.81 -0.32 -1.07 114.58 117.83 1o7b h GLU 37 Ca 0.04 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.55 1o7b h GLU 37 Cb 0.47 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1o7b h GLU 37 CO 0.03 -0.44 0.57 0.00 -0.73 0.00 0.00 179.01 178.44 1o7b h ALA 38 N -0.81 2.65 0.00 2.92 0.00 -1.39 0.75 119.26 123.38 1o7b h ALA 38 Ca -0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1o7b h ALA 38 Cb 0.65 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1o7b h ALA 38 CO 0.13 -0.88 -0.74 0.00 0.00 0.00 0.00 179.25 177.76 1o7b h ALA 39 N 1.61 0.75 -0.08 0.00 0.00 -1.16 -3.17 119.26 117.21 1o7b h ALA 39 Ca 0.39 -0.68 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 1o7b h ALA 39 Cb 1.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1o7b h ALA 39 CO -0.03 0.93 -0.76 -0.09 0.00 0.00 0.00 179.25 179.29 1o7b h ARG 40 N 0.00 0.47 -0.79 0.00 2.43 0.18 -1.74 114.38 114.92 1o7b h ARG 40 Ca -0.01 -0.39 0.23 0.00 -0.81 0.00 0.00 59.98 59.00 1o7b h ARG 40 Cb 1.33 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 1o7b h ARG 40 CO 0.10 1.03 0.59 0.87 -1.51 0.00 0.00 179.97 181.05 1o7b h LYS 41 N 0.31 0.00 0.04 0.20 1.57 -1.15 0.72 116.57 118.26 1o7b h LYS 41 Ca -0.04 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 1o7b h LYS 41 Cb 1.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 1o7b h LYS 41 CO 0.14 0.00 -1.72 -0.84 -0.57 0.00 0.00 179.45 176.45 1o7b h ILE 42 N 0.00 0.87 0.00 1.86 3.07 -1.66 -3.48 117.51 118.16 1o7b h ILE 42 Ca 0.38 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 64.12 1o7b h ILE 42 Cb 1.56 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 40.61 1o7b h ILE 42 CO -0.00 0.65 0.00 0.61 -1.05 0.00 0.00 178.15 178.35 1o7b n GLY 43 N 1.66 0.59 3.39 0.16 0.00 0.25 -5.09 105.19 106.15 1o7b n GLY 43 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.05 3.51 -0.05 1.61 5.36 -0.67 -4.99 117.98 121.71 1o7b s PHE 44 Ca 0.00 -1.79 0.06 0.00 -0.96 0.00 0.00 56.93 54.24 1o7b s PHE 44 Cb 0.00 -4.05 -0.01 0.00 -0.34 0.00 0.00 43.02 38.62 1o7b s PHE 44 CO 0.00 -1.22 -0.25 -3.38 -1.46 0.00 0.00 175.22 168.91 1o7b s HIS 45 N 1.22 2.39 -0.23 10.12 -3.43 -1.26 -4.46 115.29 119.65 1o7b s HIS 45 Ca 0.26 -0.69 -0.07 0.00 -0.80 0.00 0.00 55.06 53.76 1o7b s HIS 45 Cb -0.07 -1.57 0.11 0.00 -1.43 0.00 0.00 32.58 29.61 1o7b s HIS 45 CO -0.09 -0.20 0.49 0.54 -2.00 0.00 0.00 174.74 173.48 1o7b s VAL 46 N -0.20 -0.76 -2.00 -5.38 0.11 0.78 -4.90 120.40 108.06 1o7b s VAL 46 Ca -0.02 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1o7b s VAL 46 Cb -0.13 -0.78 0.10 0.00 -1.53 0.00 0.00 36.38 34.04 1o7b s VAL 46 CO 0.03 0.04 0.57 0.00 -3.33 0.00 0.00 175.10 172.41 1o7b s ALA 48 N -2.00 3.47 0.43 0.00 0.00 -1.26 -4.85 121.76 117.55 1o7b s ALA 48 Ca 0.05 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1o7b s ALA 48 Cb 0.02 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.80 1o7b s ALA 48 CO 0.04 -0.31 1.29 0.00 0.00 0.00 0.00 175.76 176.79 1o7b s ALA 49 N 1.29 3.16 -0.21 0.00 0.00 -1.24 -4.49 121.76 120.26 1o7b s ALA 49 Ca 0.06 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1o7b s ALA 49 Cb -0.14 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1o7b s ALA 49 CO 0.06 -0.89 -0.14 0.20 0.00 0.00 0.00 175.76 174.99 1o7b s GLY 50 N -0.86 1.51 -0.08 0.00 0.00 0.12 0.41 107.32 108.42 1o7b s GLY 50 Ca 0.60 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1o7b s GLY 50 CO 0.47 0.41 2.09 0.79 0.00 0.00 0.00 173.10 176.85 1o7b n TRP 51 N 4.61 2.27 -4.24 1.90 7.02 -1.05 -4.08 117.44 123.87 1o7b n TRP 51 Ca -0.18 -0.26 -0.17 0.00 -1.02 0.00 0.00 57.50 55.86 1o7b n TRP 51 Cb 0.48 -2.77 -0.08 0.00 -2.42 0.00 0.00 31.31 26.52 1o7b n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7b s MET 52 N 5.31 1.68 0.90 -0.99 0.23 -0.37 -3.80 119.30 122.26 1o7b s MET 52 Ca 0.94 -1.90 0.00 0.00 -1.03 0.00 0.00 55.69 53.70 1o7b s MET 52 Cb -0.40 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.24 1o7b s MET 52 CO 0.39 -0.63 0.00 0.00 -2.03 0.00 0.00 175.02 172.76 1o7b n ALA 53 N -0.55 0.00 0.29 3.16 0.00 -1.07 0.53 120.51 122.87 1o7b n ALA 53 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1o7b n ALA 53 Cb 0.63 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.42 1o7b n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1o7b h LYS 54 N 0.00 0.00 0.00 0.00 1.57 -1.99 -3.37 116.57 112.78 1o7b h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o7b h LYS 54 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1o7b h LYS 54 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1o7b n GLY 55 N -1.34 0.00 3.75 3.86 0.00 -0.39 -5.10 105.19 105.98 1o7b n GLY 55 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.42 -0.05 1.61 3.52 0.19 -4.70 118.95 123.94 1o7b s ARG 56 Ca 0.00 0.94 0.05 0.00 -0.13 0.00 0.00 55.73 56.58 1o7b s ARG 56 Cb 0.00 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1o7b s ARG 56 CO 0.00 0.34 -0.19 0.14 -0.81 0.00 0.00 175.30 174.78 1o7b s VAL 57 N -0.18 2.63 0.18 7.11 -7.23 -1.26 -1.24 120.40 120.40 1o7b s VAL 57 Ca 0.35 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.42 1o7b s VAL 57 Cb -0.20 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 34.81 1o7b s VAL 57 CO 0.21 0.58 0.63 -0.83 -0.31 0.00 0.00 175.10 175.38 1o7b s GLY 58 N -0.50 -0.51 -0.38 2.32 0.00 -1.26 -3.82 107.32 103.17 1o7b s GLY 58 Ca 0.06 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.15 1o7b s GLY 58 CO 0.01 0.11 0.33 -2.52 0.00 0.00 0.00 173.10 171.03 1o7b s TYR 59 N -3.77 0.31 -0.05 1.90 1.13 -0.13 -0.71 117.35 116.03 1o7b s TYR 59 Ca 0.03 -1.44 -0.31 0.00 -1.41 0.00 0.00 57.07 53.94 1o7b s TYR 59 Cb -0.02 -0.66 -0.09 0.00 -1.10 0.00 0.00 41.96 40.09 1o7b s TYR 59 CO -0.09 -0.90 2.01 -0.35 -2.51 0.00 0.00 175.55 173.71 1o7b n PRO 60 N 3.78 2.49 -3.97 -3.49 -0.04 -1.24 -3.03 135.00 129.49 1o7b n PRO 60 Ca 0.16 0.88 -0.34 0.00 -0.04 0.00 0.00 63.50 64.15 1o7b n PRO 60 Cb 0.43 -2.96 -0.14 0.00 -0.04 0.00 0.00 33.50 30.79 1o7b n PRO 60 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1o7b s ILE 61 N 5.24 2.87 -0.16 0.52 1.01 -0.75 -0.16 121.20 129.77 1o7b s ILE 61 Ca 0.93 -0.89 0.14 0.00 0.00 0.00 0.00 60.65 60.83 1o7b s ILE 61 Cb -0.48 -2.39 -0.20 0.00 0.01 0.00 0.00 42.46 39.40 1o7b s ILE 61 CO 0.43 0.30 0.05 0.52 0.00 0.00 0.00 174.94 176.24 1o7b n VAL 62 N 4.69 1.12 -3.65 2.92 0.31 -1.26 -1.05 118.33 121.40 1o7b n VAL 62 Ca -0.18 -0.68 -0.38 0.00 -0.01 0.00 0.00 64.34 63.09 1o7b n VAL 62 Cb 0.48 -0.60 -0.09 0.00 -0.91 0.00 0.00 33.84 32.73 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 -2.39 2.58 0.84 5.55 2.20 -1.26 -4.97 119.74 122.28 1o7b s LYS 63 Ca -0.09 -2.28 -0.11 0.00 -0.36 0.00 0.00 55.97 53.13 1o7b s LYS 63 Cb 0.05 -3.82 0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1o7b s LYS 63 CO 0.66 -1.17 1.15 -1.25 -0.36 0.00 0.00 175.35 174.38 1o7b s PRO 64 N 0.40 1.55 0.00 4.03 0.04 -1.26 -4.67 135.00 135.09 1o7b s PRO 64 Ca 0.14 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1o7b s PRO 64 Cb -0.20 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1o7b s PRO 64 CO -0.04 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.18 1o7b n GLY 65 N 0.00 -1.25 3.74 0.56 0.00 -1.26 -4.74 105.19 102.24 1o7b n GLY 65 Ca 0.12 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1o7b n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1o7b s PRO 66 N -0.71 4.42 -1.39 1.61 0.04 -1.26 -0.82 135.00 136.89 1o7b s PRO 66 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1o7b s PRO 66 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1o7b s PRO 66 CO 0.00 -0.19 0.00 -1.71 0.04 0.00 0.00 177.00 175.14 1o7b n ASN 67 N 2.38 -4.66 0.00 6.66 2.85 -1.26 -4.65 115.26 116.58 1o7b n ASN 67 Ca 0.05 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1o7b n ASN 67 Cb 0.43 -3.96 0.00 0.00 1.24 0.00 0.00 39.78 37.49 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 -2.74 0.53 0.00 0.00 0.00 0.00 -4.80 107.32 100.31 1o7b s GLY 69 Ca 0.00 0.29 0.22 0.00 0.00 0.00 0.00 44.72 45.24 1o7b s GLY 69 CO 0.00 3.53 1.73 0.69 0.00 0.00 0.00 173.10 179.04 1o7b n PHE 70 N 11.52 0.00 0.00 1.90 3.72 -1.26 -4.50 117.46 128.83 1o7b n PHE 70 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1o7b n PHE 70 Cb 0.48 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o7b n GLY 71 N 0.57 3.27 3.94 1.37 0.00 -1.26 -5.08 105.19 108.00 1o7b n GLY 71 Ca 0.12 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 3.49 -0.17 1.61 1.02 -1.26 -5.08 119.74 119.35 1o7b s LYS 72 Ca 0.00 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 1o7b s LYS 72 Cb 0.00 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1o7b s LYS 72 CO 0.00 0.35 -0.07 0.95 -0.92 0.00 0.00 175.35 175.66 1o7b s THR 73 N -2.00 3.42 0.00 2.17 -4.23 -1.26 -4.86 115.64 108.87 1o7b s THR 73 Ca 0.38 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1o7b s THR 73 Cb -0.10 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1o7b s THR 73 CO 0.31 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 1o7b n GLY 74 N 3.96 1.58 3.65 3.99 0.00 -0.22 -4.96 105.19 113.19 1o7b n GLY 74 Ca -0.18 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.95 0.68 -3.16 -0.61 5.41 -1.26 -1.81 119.36 116.65 1o7b n ILE 75 Ca 0.00 -0.21 -0.46 0.00 1.00 0.00 0.00 62.75 63.09 1o7b n ILE 75 Cb 0.00 -2.35 -0.02 0.00 -0.71 0.00 0.00 39.64 36.56 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 5.27 5.27 -0.09 1.39 -1.09 -1.17 -4.82 121.20 125.97 1o7b s ILE 76 Ca 0.92 -2.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.18 1o7b s ILE 76 Cb -0.43 -4.61 0.02 0.00 -1.58 0.00 0.00 42.46 35.86 1o7b s ILE 76 CO 0.41 -1.24 -0.13 -0.62 -1.23 0.00 0.00 174.94 172.13 1o7b s ASP 77 N 2.71 2.15 -0.22 3.58 2.15 -1.26 -0.96 116.67 124.83 1o7b s ASP 77 Ca 0.25 -0.36 0.15 0.00 0.43 0.00 0.00 52.55 53.02 1o7b s ASP 77 Cb -0.08 -0.95 0.78 0.00 -0.30 0.00 0.00 42.92 42.38 1o7b s ASP 77 CO -0.09 -0.00 1.71 -1.22 -0.17 0.00 0.00 175.17 175.40 1o7b n TYR 78 N 4.18 1.91 -1.42 -5.34 4.01 -1.25 -5.03 117.16 114.23 1o7b n TYR 78 Ca -0.19 -0.73 0.19 0.00 -0.16 0.00 0.00 57.90 57.01 1o7b n TYR 78 Cb 0.51 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 39.02 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o7b n GLY 79 N 0.59 -2.24 3.62 2.72 0.00 -1.26 -4.68 105.19 103.93 1o7b n GLY 79 Ca 0.27 -1.14 -0.55 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.22 0.08 -0.24 -0.61 2.08 -1.26 -4.69 119.36 110.49 1o7b n ILE 80 Ca -0.01 -0.01 -0.03 0.00 0.56 0.00 0.00 62.75 63.25 1o7b n ILE 80 Cb 0.65 -0.81 0.20 0.00 -0.75 0.00 0.00 39.64 38.93 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 3.22 2.79 -1.29 0.38 5.12 -1.26 -4.85 116.66 120.76 1o7b n ARG 81 Ca 0.21 -1.90 -0.12 0.00 -1.93 0.00 0.00 57.85 54.11 1o7b n ARG 81 Cb 0.15 -1.88 -0.05 0.00 -1.16 0.00 0.00 32.46 29.52 1o7b n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1o7b n LEU 82 N 0.04 -0.53 -3.15 0.55 -0.00 -1.26 -4.86 117.00 107.80 1o7b n LEU 82 Ca 0.25 0.29 0.04 0.00 -0.00 0.00 0.00 56.01 56.59 1o7b n LEU 82 Cb 0.98 -2.47 -0.01 0.00 -0.00 0.00 0.00 43.42 41.93 1o7b n LEU 82 CO 0.27 -0.93 0.25 0.21 -0.00 0.00 0.00 177.39 177.18 1o7b s ASN 83 N -2.27 -1.21 -0.08 1.96 2.47 -1.26 -5.02 114.94 109.54 1o7b s ASN 83 Ca 0.00 0.51 0.00 0.00 0.42 0.00 0.00 52.86 53.79 1o7b s ASN 83 Cb 0.00 1.91 0.10 0.00 -1.45 0.00 0.00 41.25 41.81 1o7b s ASN 83 CO 0.00 -0.22 1.32 -2.11 -3.72 0.00 0.00 177.10 172.37 1o7b n ARG 84 N 5.41 1.21 -0.19 0.43 1.85 -1.26 -3.67 116.66 120.44 1o7b n ARG 84 Ca 0.01 -0.48 0.08 0.00 -1.00 0.00 0.00 57.85 56.45 1o7b n ARG 84 Cb 0.53 -1.19 0.18 0.00 -1.05 0.00 0.00 32.46 30.93 1o7b n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1o7b n SER 85 N 0.42 3.09 -4.30 2.89 7.64 -1.26 -3.15 113.62 118.94 1o7b n SER 85 Ca 0.10 -1.92 -0.28 0.00 1.01 0.00 0.00 58.87 57.77 1o7b n SER 85 Cb 0.65 -0.25 0.27 0.00 -1.01 0.00 0.00 64.21 63.87 1o7b n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1o7b n GLU 86 N 0.95 -2.98 -3.75 1.43 -0.58 -1.24 -4.92 120.64 109.55 1o7b n GLU 86 Ca 0.15 -0.85 -0.33 0.00 -0.42 0.00 0.00 57.16 55.71 1o7b n GLU 86 Cb 0.48 -2.12 -0.09 0.00 -0.57 0.00 0.00 31.44 29.14 1o7b n GLU 86 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1o7b s ARG 87 N -4.45 2.83 0.00 3.49 3.00 -1.25 -4.17 118.95 118.40 1o7b s ARG 87 Ca 0.69 -3.15 0.00 0.00 0.00 0.00 0.00 55.73 53.26 1o7b s ARG 87 Cb -0.24 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 30.99 1o7b s ARG 87 CO 0.65 -1.25 0.00 0.91 0.00 0.00 0.00 175.30 175.61 1o7b n TRP 88 N 2.43 0.00 -0.28 -0.53 5.03 -0.77 -3.74 117.44 119.58 1o7b n TRP 88 Ca 0.18 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.71 1o7b n TRP 88 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.64 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 -0.08 0.00 -3.65 -0.99 9.92 0.16 -0.97 116.55 120.95 1o7b n ASP 89 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 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 -2.69 -1.90 -1.27 2.24 0.00 -0.79 -2.54 121.76 114.81 1o7b s ALA 90 Ca 0.00 2.23 -0.09 0.00 0.00 0.00 0.00 51.96 54.09 1o7b s ALA 90 Cb 0.00 -1.68 0.18 0.00 0.00 0.00 0.00 23.12 21.61 1o7b s ALA 90 CO 0.00 -0.86 1.84 0.66 0.00 0.00 0.00 175.76 177.40 1o7b n TYR 91 N 5.35 2.95 -0.42 0.00 4.01 -1.25 -0.27 117.16 127.54 1o7b n TYR 91 Ca -0.12 -2.79 -0.15 0.00 -0.16 0.00 0.00 57.90 54.68 1o7b n TYR 91 Cb 0.50 -1.91 0.14 0.00 -0.31 0.00 0.00 39.34 37.76 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 -1.90 -0.52 -0.30 0.00 6.14 0.51 -0.86 117.35 120.42 1o7b s TYR 93 Ca 0.32 0.85 -0.15 0.00 0.64 0.00 0.00 57.07 58.73 1o7b s TYR 93 Cb -0.06 0.44 0.17 0.00 0.42 0.00 0.00 41.96 42.93 1o7b s TYR 93 CO 0.27 -0.51 1.03 -0.80 0.64 0.00 0.00 175.55 176.18 1o7b s ASN 94 N -1.28 -0.52 0.09 4.32 -0.87 -0.42 -2.45 114.94 113.81 1o7b s ASN 94 Ca -0.06 0.66 0.06 0.00 -1.57 0.00 0.00 52.86 51.95 1o7b s ASN 94 Cb -0.00 1.57 0.33 0.00 -0.02 0.00 0.00 41.25 43.13 1o7b s ASN 94 CO 0.05 -0.10 1.19 -0.81 -2.57 0.00 0.00 177.10 174.86 1o7b n PRO 95 N 4.98 0.04 -0.09 -0.60 -0.04 -1.26 -0.39 135.00 137.64 1o7b n PRO 95 Ca -0.08 0.54 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 1o7b n PRO 95 Cb 0.53 -1.63 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1o7b n PRO 95 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1o7b n HIS 96 N -1.71 0.00 -0.84 0.54 8.25 -1.26 -4.64 115.22 115.55 1o7b n HIS 96 Ca -0.00 -0.72 -0.09 0.00 -0.26 0.00 0.00 57.72 56.65 1o7b n HIS 96 Cb 0.01 -0.11 -0.12 0.00 1.12 0.00 0.00 29.99 30.89 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7b n ALA 97 N -0.97 5.62 0.62 -1.41 0.00 0.48 -5.08 120.51 119.76 1o7b n ALA 97 Ca 0.09 -1.33 0.07 0.00 0.00 0.00 0.00 53.44 52.28 1o7b n ALA 97 Cb 0.53 -2.00 0.06 0.00 0.00 0.00 0.00 19.45 18.04 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67