#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 4.94 0.19 1.61 0.11 -1.26 -2.95 120.40 123.04 1o7b s VAL 2 Ca 0.00 1.58 0.09 0.00 -2.93 0.00 0.00 61.98 60.72 1o7b s VAL 2 Cb 0.00 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 1o7b s VAL 2 CO 0.00 0.11 -0.18 -0.72 -3.33 0.00 0.00 175.10 170.98 1o7b s TYR 3 N 1.67 1.88 -0.45 1.54 1.13 0.27 -4.93 117.35 118.46 1o7b s TYR 3 Ca 0.39 -0.47 -0.12 0.00 -1.41 0.00 0.00 57.07 55.45 1o7b s TYR 3 Cb -0.17 -0.90 0.08 0.00 -1.10 0.00 0.00 41.96 39.87 1o7b s TYR 3 CO 0.15 0.40 0.33 -1.58 -2.51 0.00 0.00 175.55 172.34 1o7b s HIS 4 N -2.33 3.30 0.33 -3.49 2.46 -1.26 0.33 115.29 114.63 1o7b s HIS 4 Ca 0.20 -1.27 0.08 0.00 0.47 0.00 0.00 55.06 54.54 1o7b s HIS 4 Cb -0.04 -3.11 -0.04 0.00 -0.13 0.00 0.00 32.58 29.25 1o7b s HIS 4 CO 0.08 -0.84 0.15 1.03 -2.47 0.00 0.00 174.74 172.69 1o7b s ARG 5 N 1.53 2.40 0.00 2.88 1.81 0.14 -4.92 118.95 122.78 1o7b s ARG 5 Ca 0.04 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 52.53 1o7b s ARG 5 Cb -0.24 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 32.06 1o7b s ARG 5 CO 0.04 0.13 0.00 -0.85 -0.68 0.00 0.00 175.30 173.94 1o7b n GLU 6 N -1.15 1.96 -3.49 3.54 0.00 -1.26 -1.30 120.64 118.94 1o7b n GLU 6 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.84 1o7b n GLU 6 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.01 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 -2.00 3.69 0.47 -1.84 0.00 -0.87 -4.90 121.76 116.31 1o7b s ALA 7 Ca 0.00 -0.59 0.38 0.00 0.00 0.00 0.00 51.96 51.75 1o7b s ALA 7 Cb 0.00 -2.22 1.94 0.00 0.00 0.00 0.00 23.12 22.85 1o7b s ALA 7 CO 0.00 0.39 2.21 0.00 0.00 0.00 0.00 175.76 178.36 1o7b h ARG 8 N 2.05 0.00 0.00 0.00 3.08 -2.00 -0.68 114.38 116.83 1o7b h ARG 8 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1o7b h ARG 8 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1o7b h ARG 8 CO 0.68 0.02 -0.67 1.03 -1.07 0.00 0.00 179.97 179.96 1o7b h SER 9 N 0.00 0.00 -1.70 7.04 0.87 -1.99 -3.49 113.55 114.28 1o7b h SER 9 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1o7b h SER 9 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1o7b h SER 9 CO 0.00 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 1o7b n GLY 10 N 1.28 2.74 3.87 5.77 0.00 -0.26 -5.11 105.19 113.47 1o7b n GLY 10 Ca 0.02 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.07 3.78 -1.10 1.61 2.20 -1.26 -2.06 119.74 120.84 1o7b s LYS 11 Ca 0.00 0.21 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1o7b s LYS 11 Cb 0.00 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1o7b s LYS 11 CO 0.00 0.45 0.95 0.66 -0.36 0.00 0.00 175.35 177.05 1o7b n TYR 12 N 0.41 -2.37 -1.11 4.03 4.02 -1.20 -4.88 117.16 116.06 1o7b n TYR 12 Ca -0.04 0.89 0.00 0.00 -0.01 0.00 0.00 57.90 58.74 1o7b n TYR 12 Cb 0.52 -4.47 0.00 0.00 -0.02 0.00 0.00 39.34 35.37 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 -3.55 0.00 -2.86 -0.72 -0.00 -1.06 -4.61 118.16 105.36 1o7b n LYS 13 Ca -0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.97 1o7b n LYS 13 Cb 0.64 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.69 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1o7b s LEU 14 N 0.00 3.46 0.00 -5.58 0.05 -1.07 -4.74 118.68 110.81 1o7b s LEU 14 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 54.13 53.88 1o7b s LEU 14 Cb 0.00 -2.65 0.00 0.00 -2.05 0.00 0.00 46.19 41.49 1o7b s LEU 14 CO 0.00 -0.97 0.00 0.35 -0.55 0.00 0.00 176.35 175.18 1o7b n THR 15 N -2.08 0.00 -0.07 5.48 -2.24 -1.25 -1.16 114.28 112.96 1o7b n THR 15 Ca 0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1o7b n THR 15 Cb 0.59 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.10 4.78 3.20 -1.78 -0.61 116.97 122.46 1o7b h TYR 16 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1o7b h TYR 16 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1o7b h TYR 16 CO 0.00 0.84 -0.10 0.00 -1.64 0.00 0.00 178.16 177.26 1o7b h ALA 17 N -0.22 1.65 0.26 1.82 0.00 -1.98 -0.78 119.26 120.00 1o7b h ALA 17 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1o7b h ALA 17 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1o7b h ALA 17 CO -0.01 0.26 -0.12 0.93 0.00 0.00 0.00 179.25 180.30 1o7b h GLU 18 N 0.14 -0.34 -0.82 0.00 5.08 -1.95 -2.63 114.58 114.08 1o7b h GLU 18 Ca 0.03 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.61 1o7b h GLU 18 Cb 0.28 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.47 1o7b h GLU 18 CO 0.02 -0.18 0.19 0.00 -1.00 0.00 0.00 179.01 178.04 1o7b h ALA 19 N -1.01 1.10 -0.13 3.43 0.00 -1.00 0.72 119.26 122.36 1o7b h ALA 19 Ca -0.04 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1o7b h ALA 19 Cb 0.32 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1o7b h ALA 19 CO 0.06 -0.41 0.08 -0.22 0.00 0.00 0.00 179.25 178.76 1o7b h LYS 20 N 0.22 0.18 -0.66 0.00 3.64 -1.23 -2.39 116.57 116.33 1o7b h LYS 20 Ca 0.49 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1o7b h LYS 20 Cb 0.92 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 1o7b h LYS 20 CO -0.61 0.16 0.42 0.00 -2.27 0.00 0.00 179.45 177.15 1o7b h ALA 21 N 1.01 0.86 -0.97 5.00 0.00 -0.60 0.12 119.26 124.68 1o7b h ALA 21 Ca 0.05 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1o7b h ALA 21 Cb 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 1o7b h ALA 21 CO -0.01 0.19 0.62 0.28 0.00 0.00 0.00 179.25 180.33 1o7b h VAL 22 N 0.82 0.92 0.36 0.00 2.07 -0.69 0.48 116.25 120.21 1o7b h VAL 22 Ca 0.26 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1o7b h VAL 22 Cb -0.00 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1o7b h VAL 22 CO -0.10 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.49 1o7b n GLU 24 N -5.02 0.00 0.14 0.00 1.02 0.31 -0.39 120.64 116.70 1o7b n GLU 24 Ca -0.06 0.34 -0.25 0.00 -0.02 0.00 0.00 57.16 57.17 1o7b n GLU 24 Cb 0.19 -1.61 -0.16 0.00 -0.02 0.00 0.00 31.44 29.84 1o7b n GLU 24 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1o7b h PHE 25 N 0.00 0.97 -0.00 -0.32 3.04 -0.86 -3.25 116.94 116.52 1o7b h PHE 25 Ca 0.00 -0.71 0.00 0.00 3.98 0.00 0.00 57.97 61.24 1o7b h PHE 25 Cb 0.21 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1o7b h PHE 25 CO 0.00 1.57 -0.10 0.39 -2.02 0.00 0.00 178.31 178.15 1o7b n GLU 26 N -3.71 0.23 0.00 1.11 1.02 0.48 -4.88 120.64 114.90 1o7b n GLU 26 Ca -0.18 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1o7b n GLU 26 Cb 1.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 1.41 1.38 0.00 0.62 0.00 -1.04 -5.10 105.19 102.46 1o7b n GLY 27 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.41 5.20 3.50 -0.02 0.00 -0.86 -4.97 105.19 106.63 1o7b n GLY 28 Ca 0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.97 0.68 0.06 1.61 -3.43 -1.06 -1.11 115.29 111.08 1o7b s HIS 29 Ca 0.00 -0.99 -0.31 0.00 -0.80 0.00 0.00 55.06 52.96 1o7b s HIS 29 Cb 0.00 0.00 -0.08 0.00 -1.43 0.00 0.00 32.58 31.07 1o7b s HIS 29 CO 0.00 -0.98 1.60 -0.51 -2.00 0.00 0.00 174.74 172.85 1o7b s LEU 30 N -3.10 4.36 0.00 5.38 1.43 -1.26 -1.00 118.68 124.48 1o7b s LEU 30 Ca 0.27 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1o7b s LEU 30 Cb 0.01 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1o7b s LEU 30 CO 0.13 -0.85 0.00 0.00 0.23 0.00 0.00 176.35 175.86 1o7b n ALA 31 N 5.42 0.00 -2.36 4.21 0.00 -0.64 -4.53 120.51 122.61 1o7b n ALA 31 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1o7b n ALA 31 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.68 1.07 0.11 0.00 -4.23 -1.26 -2.54 115.64 108.11 1o7b s THR 32 Ca 0.00 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 58.22 1o7b s THR 32 Cb 0.00 -2.45 -0.08 0.00 1.34 0.00 0.00 72.50 71.30 1o7b s THR 32 CO 0.00 -0.24 1.65 0.22 -0.54 0.00 0.00 174.62 175.71 1o7b h TYR 33 N 2.39 -0.61 -0.47 3.99 3.20 -1.97 0.11 116.97 123.60 1o7b h TYR 33 Ca -0.39 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.57 1o7b h TYR 33 Cb 1.23 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.69 1o7b h TYR 33 CO 0.58 -0.33 0.09 0.87 -1.64 0.00 0.00 178.16 177.73 1o7b h LYS 34 N -0.41 0.22 -0.43 1.82 1.57 -2.00 0.39 116.57 117.73 1o7b h LYS 34 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1o7b h LYS 34 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1o7b h LYS 34 CO -0.15 0.14 0.24 1.96 -0.57 0.00 0.00 179.45 181.08 1o7b h GLN 35 N 0.23 0.58 0.00 3.15 4.20 -1.86 -0.10 115.11 121.31 1o7b h GLN 35 Ca 0.23 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1o7b h GLN 35 Cb 0.31 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1o7b h GLN 35 CO -0.31 0.43 -0.31 -0.07 -0.67 0.00 0.00 178.83 177.90 1o7b h LEU 36 N 0.59 0.00 0.73 1.46 -0.00 0.13 -2.06 115.31 116.16 1o7b h LEU 36 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.00 1o7b h LEU 36 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1o7b h LEU 36 CO -0.03 0.31 -0.35 -0.08 -0.00 0.00 0.00 178.44 178.29 1o7b h GLU 37 N 0.00 -0.95 -0.62 1.13 4.57 0.30 -1.75 114.58 117.26 1o7b h GLU 37 Ca -0.00 0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.39 1o7b h GLU 37 Cb 0.60 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1o7b h GLU 37 CO 0.04 -0.62 0.43 0.00 -1.18 0.00 0.00 179.01 177.68 1o7b h ALA 38 N -1.15 2.31 -0.24 2.92 0.00 -1.41 0.64 119.26 122.33 1o7b h ALA 38 Ca -0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1o7b h ALA 38 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1o7b h ALA 38 CO 0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 179.25 178.79 1o7b h ALA 39 N 1.70 1.32 0.14 0.00 0.00 -1.14 -2.46 119.26 118.83 1o7b h ALA 39 Ca 0.30 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 1o7b h ALA 39 Cb 0.91 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1o7b h ALA 39 CO -0.05 0.46 -1.33 -0.09 0.00 0.00 0.00 179.25 178.24 1o7b h ARG 40 N 0.37 0.31 -0.85 0.00 2.43 0.99 -0.20 114.38 117.42 1o7b h ARG 40 Ca 0.07 -0.52 0.24 0.00 -0.81 0.00 0.00 59.98 58.96 1o7b h ARG 40 Cb 0.47 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 1o7b h ARG 40 CO 0.03 1.23 0.61 0.87 -1.51 0.00 0.00 179.97 181.20 1o7b h LYS 41 N 0.08 0.04 0.03 0.20 1.57 0.09 0.70 116.57 119.28 1o7b h LYS 41 Ca -0.17 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.29 1o7b h LYS 41 Cb 2.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 34.27 1o7b h LYS 41 CO 0.21 0.02 -1.82 0.44 -0.57 0.00 0.00 179.45 177.73 1o7b n ILE 42 N -4.31 1.64 0.00 1.86 -5.35 -1.08 -4.98 119.36 107.13 1o7b n ILE 42 Ca 0.17 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1o7b n ILE 42 Cb 0.89 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 1o7b n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1o7b n GLY 43 N 1.67 0.47 3.43 3.28 0.00 0.24 -5.08 105.19 109.20 1o7b n GLY 43 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.12 3.52 -0.06 1.61 5.36 -0.10 -4.96 117.98 123.22 1o7b s PHE 44 Ca 0.00 -1.98 -0.15 0.00 -0.96 0.00 0.00 56.93 53.84 1o7b s PHE 44 Cb 0.00 -4.20 -0.05 0.00 -0.34 0.00 0.00 43.02 38.43 1o7b s PHE 44 CO 0.00 -1.33 0.39 -1.58 -1.46 0.00 0.00 175.22 171.25 1o7b s HIS 45 N 1.39 3.63 -0.30 10.12 5.65 -1.26 -4.65 115.29 129.86 1o7b s HIS 45 Ca 0.36 0.88 -0.19 0.00 0.25 0.00 0.00 55.06 56.36 1o7b s HIS 45 Cb -0.05 -2.35 0.18 0.00 -1.18 0.00 0.00 32.58 29.18 1o7b s HIS 45 CO -0.05 0.46 1.28 0.54 -0.65 0.00 0.00 174.74 176.33 1o7b s VAL 46 N -0.40 -0.02 -1.67 0.89 0.11 -1.19 -5.01 120.40 113.12 1o7b s VAL 46 Ca 0.23 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1o7b s VAL 46 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1o7b s VAL 46 CO 0.11 0.00 0.50 0.00 -3.33 0.00 0.00 175.10 172.38 1o7b s ALA 48 N -1.67 3.58 0.06 0.00 0.00 -1.26 -4.87 121.76 117.60 1o7b s ALA 48 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1o7b s ALA 48 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1o7b s ALA 48 CO 0.00 -0.24 1.06 0.00 0.00 0.00 0.00 175.76 176.58 1o7b s ALA 49 N 1.14 3.27 -0.18 0.00 0.00 -1.25 -4.46 121.76 120.28 1o7b s ALA 49 Ca 0.07 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1o7b s ALA 49 Cb -0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1o7b s ALA 49 CO 0.05 -0.26 -0.05 0.20 0.00 0.00 0.00 175.76 175.71 1o7b s GLY 50 N 0.71 1.65 -0.13 0.00 0.00 -0.83 -0.31 107.32 108.42 1o7b s GLY 50 Ca 0.53 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 1o7b s GLY 50 CO 0.30 0.14 1.88 -0.98 0.00 0.00 0.00 173.10 174.43 1o7b s TRP 51 N 0.86 1.60 0.35 1.90 0.52 -0.89 -4.15 118.94 119.13 1o7b s TRP 51 Ca -0.01 0.20 0.06 0.00 0.02 0.00 0.00 56.10 56.36 1o7b s TRP 51 Cb -0.15 -4.04 -0.03 0.00 -1.15 0.00 0.00 33.47 28.10 1o7b s TRP 51 CO 0.01 -4.13 0.22 0.00 0.02 0.00 0.00 176.95 173.07 1o7b s MET 52 N 4.97 1.80 0.82 4.98 0.23 0.06 -4.11 119.30 128.05 1o7b s MET 52 Ca 0.84 -2.06 0.00 0.00 -1.03 0.00 0.00 55.69 53.44 1o7b s MET 52 Cb -0.33 -0.01 0.00 0.00 -1.53 0.00 0.00 34.83 32.96 1o7b s MET 52 CO 0.35 -0.58 0.00 0.00 -2.03 0.00 0.00 175.02 172.75 1o7b n ALA 53 N -0.71 0.00 -0.00 3.16 0.00 -1.05 0.36 120.51 122.26 1o7b n ALA 53 Ca 0.02 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.67 1o7b n ALA 53 Cb 0.63 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.55 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 1.79 -1.99 -3.37 116.57 113.00 1o7b h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1o7b h LYS 54 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1o7b h LYS 54 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1o7b n GLY 55 N -1.58 0.00 3.84 3.86 0.00 -0.49 -5.10 105.19 105.72 1o7b n GLY 55 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 3.98 0.18 1.61 3.52 0.16 -4.77 118.95 123.63 1o7b s ARG 56 Ca 0.00 0.49 0.11 0.00 -0.13 0.00 0.00 55.73 56.19 1o7b s ARG 56 Cb 0.00 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1o7b s ARG 56 CO 0.00 0.57 -0.23 0.14 -0.81 0.00 0.00 175.30 174.97 1o7b s VAL 57 N -1.31 2.20 0.00 7.11 -7.23 -1.26 -0.76 120.40 119.15 1o7b s VAL 57 Ca 0.33 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1o7b s VAL 57 Cb -0.16 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1o7b s VAL 57 CO 0.18 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1o7b n GLY 58 N 0.35 0.64 2.57 2.32 0.00 -1.25 -4.15 105.19 105.67 1o7b n GLY 58 Ca -0.13 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 0.89 -0.55 1.61 1.13 -0.66 -1.96 117.35 115.81 1o7b s TYR 59 Ca 0.00 -1.44 -0.26 0.00 -1.41 0.00 0.00 57.07 53.96 1o7b s TYR 59 Cb 0.00 -1.17 -0.07 0.00 -1.10 0.00 0.00 41.96 39.62 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 1.52 2.10 0.06 -3.49 0.04 -1.26 -2.68 135.00 131.28 1o7b s PRO 60 Ca 0.13 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1o7b s PRO 60 Cb -0.19 -4.60 -0.06 0.00 0.04 0.00 0.00 34.50 29.69 1o7b s PRO 60 CO -0.19 -3.37 0.48 0.42 0.04 0.00 0.00 177.00 174.38 1o7b s ILE 61 N 12.17 4.91 0.00 0.56 -1.09 -0.58 -3.16 121.20 134.01 1o7b s ILE 61 Ca 0.93 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 1o7b s ILE 61 Cb -0.16 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1o7b s ILE 61 CO 0.23 0.48 0.00 0.52 -1.23 0.00 0.00 174.94 174.94 1o7b n VAL 62 N 1.51 0.00 -3.15 2.92 0.31 -1.26 -1.32 118.33 117.34 1o7b n VAL 62 Ca -0.11 -0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 63.98 1o7b n VAL 62 Cb 0.52 0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.39 2.07 -1.63 5.55 4.81 -1.26 -5.00 118.16 122.32 1o7b n LYS 63 Ca 0.00 -4.16 -0.40 0.00 -0.87 0.00 0.00 58.31 52.88 1o7b n LYS 63 Cb 0.00 -1.93 0.03 0.00 0.02 0.00 0.00 35.03 33.14 1o7b n LYS 63 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1o7b n PRO 64 N 0.40 1.28 0.00 1.64 -0.02 -1.26 -4.92 135.00 132.12 1o7b n PRO 64 Ca 0.28 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1o7b n PRO 64 Cb 0.49 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1o7b n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o7b n GLY 65 N 1.16 -0.01 0.00 -1.23 0.00 -0.93 -4.99 105.19 99.18 1o7b n GLY 65 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 3.23 0.18 1.61 -0.04 -1.26 -4.72 135.00 134.00 1o7b n PRO 66 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1o7b n PRO 66 Cb 0.00 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.11 1o7b n PRO 66 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1o7b h ASN 67 N 0.00 0.00 -2.89 3.54 7.08 -2.03 -3.30 115.58 117.97 1o7b h ASN 67 Ca 0.00 0.00 -0.70 0.00 -3.08 0.00 0.00 56.30 52.52 1o7b h ASN 67 Cb 0.00 0.00 -0.20 0.00 -2.08 0.00 0.00 38.32 36.04 1o7b h ASN 67 CO 0.00 0.00 0.32 0.00 -2.08 0.00 0.00 177.43 175.67 1o7b n GLY 69 N 5.15 1.08 0.00 0.00 0.00 -1.25 -2.20 105.19 107.98 1o7b n GLY 69 Ca 0.02 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 0.00 0.00 1.61 7.35 -1.26 -4.82 117.46 120.34 1o7b n PHE 70 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1o7b n PHE 70 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.61 2.87 4.01 7.13 0.00 -1.26 -5.02 105.19 113.54 1o7b n GLY 71 Ca 0.19 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 2.82 -0.22 1.61 1.02 -1.26 -5.00 119.74 118.71 1o7b s LYS 72 Ca 0.00 -1.25 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 1o7b s LYS 72 Cb 0.00 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1o7b s LYS 72 CO 0.00 -0.28 -0.03 0.95 -0.92 0.00 0.00 175.35 175.08 1o7b s THR 73 N -2.35 3.55 0.00 2.17 -4.23 -1.26 -4.80 115.64 108.71 1o7b s THR 73 Ca 0.55 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1o7b s THR 73 Cb -0.10 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1o7b s THR 73 CO 0.33 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1o7b n GLY 74 N 4.68 0.14 3.66 3.99 0.00 -0.43 -4.99 105.19 112.23 1o7b n GLY 74 Ca -0.18 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1o7b n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7b s ILE 75 N -1.69 3.80 -1.01 -0.61 1.01 -1.26 -1.53 121.20 119.91 1o7b s ILE 75 Ca 0.00 0.97 -0.17 0.00 0.00 0.00 0.00 60.65 61.45 1o7b s ILE 75 Cb 0.00 -3.63 0.15 0.00 0.01 0.00 0.00 42.46 38.99 1o7b s ILE 75 CO 0.00 -0.09 1.20 -0.63 0.00 0.00 0.00 174.94 175.41 1o7b s ILE 76 N 3.91 4.91 -0.21 2.92 -1.09 -1.09 -4.84 121.20 125.70 1o7b s ILE 76 Ca 0.68 -2.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.10 1o7b s ILE 76 Cb -0.29 -4.79 0.05 0.00 -1.58 0.00 0.00 42.46 35.84 1o7b s ILE 76 CO 0.25 -1.50 -0.08 -0.62 -1.23 0.00 0.00 174.94 171.76 1o7b s ASP 77 N 3.23 3.56 -0.02 3.58 2.15 -1.26 -1.65 116.67 126.26 1o7b s ASP 77 Ca 0.35 -1.00 0.04 0.00 0.43 0.00 0.00 52.55 52.37 1o7b s ASP 77 Cb -0.05 -1.19 0.15 0.00 -0.30 0.00 0.00 42.92 41.54 1o7b s ASP 77 CO -0.07 -0.19 1.00 -1.22 -0.17 0.00 0.00 175.17 174.53 1o7b n TYR 78 N 4.69 0.29 -0.42 -5.34 4.02 -1.26 -5.01 117.16 114.13 1o7b n TYR 78 Ca -0.13 -0.12 0.05 0.00 -0.01 0.00 0.00 57.90 57.69 1o7b n TYR 78 Cb 0.45 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.55 -2.26 3.59 2.72 0.00 -1.26 -4.81 105.19 103.71 1o7b n GLY 79 Ca 0.06 -1.38 -0.55 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.98 0.03 0.25 -0.61 2.08 -1.26 -4.78 119.36 112.09 1o7b n ILE 80 Ca -0.01 -0.01 -0.04 0.00 0.56 0.00 0.00 62.75 63.26 1o7b n ILE 80 Cb 0.20 -0.64 0.10 0.00 -0.75 0.00 0.00 39.64 38.56 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 2.60 1.90 -1.25 0.38 5.12 -1.26 -4.82 116.66 119.33 1o7b n ARG 81 Ca 0.20 -1.12 -0.11 0.00 -1.93 0.00 0.00 57.85 54.90 1o7b n ARG 81 Cb 0.15 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 29.81 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 0.05 -0.43 -3.19 0.55 7.99 -1.26 -4.86 117.00 115.85 1o7b n LEU 82 Ca 0.16 0.27 0.04 0.00 -0.01 0.00 0.00 56.01 56.47 1o7b n LEU 82 Cb 0.77 -2.40 -0.01 0.00 -0.11 0.00 0.00 43.42 41.67 1o7b n LEU 82 CO 0.17 -0.91 0.28 0.21 -1.51 0.00 0.00 177.39 175.64 1o7b s ASN 83 N -2.19 -1.13 -0.13 -1.43 2.47 -1.26 -5.02 114.94 106.25 1o7b s ASN 83 Ca 0.00 0.78 0.00 0.00 0.42 0.00 0.00 52.86 54.06 1o7b s ASN 83 Cb 0.00 1.97 0.13 0.00 -1.45 0.00 0.00 41.25 41.90 1o7b s ASN 83 CO 0.00 -0.21 1.57 -2.11 -3.72 0.00 0.00 177.10 172.63 1o7b n ARG 84 N 5.43 1.33 -0.07 0.43 1.85 -1.26 -3.62 116.66 120.75 1o7b n ARG 84 Ca -0.03 -0.71 0.03 0.00 -1.00 0.00 0.00 57.85 56.13 1o7b n ARG 84 Cb 0.52 -1.28 0.06 0.00 -1.05 0.00 0.00 32.46 30.71 1o7b n ARG 84 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1o7b n SER 85 N 0.50 2.33 -4.78 2.89 2.88 -1.26 -2.77 113.62 113.40 1o7b n SER 85 Ca 0.14 -2.17 -0.31 0.00 -1.33 0.00 0.00 58.87 55.20 1o7b n SER 85 Cb 0.66 -0.12 0.08 0.00 -0.75 0.00 0.00 64.21 64.08 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 -1.29 2.40 -0.26 -1.46 0.41 -1.24 -4.85 118.70 112.41 1o7b s GLU 86 Ca 0.11 1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 55.63 1o7b s GLU 86 Cb 0.07 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.48 1o7b s GLU 86 CO 0.04 -1.53 0.48 -0.98 -0.49 0.00 0.00 175.26 172.78 1o7b s ARG 87 N -4.90 4.06 0.00 1.61 1.70 -1.24 -3.91 118.95 116.27 1o7b s ARG 87 Ca 0.61 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 56.13 1o7b s ARG 87 Cb -0.17 -3.65 0.00 0.00 -0.57 0.00 0.00 34.95 30.57 1o7b s ARG 87 CO 0.55 -0.32 0.00 0.91 -1.08 0.00 0.00 175.30 175.36 1o7b n TRP 88 N 5.45 0.00 -0.39 5.89 5.03 -0.31 -4.59 117.44 128.52 1o7b n TRP 88 Ca -0.05 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.48 1o7b n TRP 88 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.78 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 -3.58 -0.99 8.00 0.57 -2.55 116.55 118.01 1o7b n ASP 89 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1o7b n ASP 89 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o7b s ALA 90 N -2.00 -2.34 -1.33 2.24 0.00 -0.42 -2.10 121.76 115.80 1o7b s ALA 90 Ca 0.00 2.20 -0.12 0.00 0.00 0.00 0.00 51.96 54.04 1o7b s ALA 90 Cb 0.00 -1.78 0.12 0.00 0.00 0.00 0.00 23.12 21.46 1o7b s ALA 90 CO 0.00 -0.57 1.95 0.66 0.00 0.00 0.00 175.76 177.80 1o7b n TYR 91 N 4.27 3.42 -0.96 0.00 4.01 -1.25 0.24 117.16 126.90 1o7b n TYR 91 Ca -0.15 -2.91 -0.35 0.00 -0.16 0.00 0.00 57.90 54.33 1o7b n TYR 91 Cb 0.56 -2.21 0.06 0.00 -0.31 0.00 0.00 39.34 37.44 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 -2.12 -0.39 -0.30 0.00 6.14 -0.17 0.93 117.35 121.44 1o7b s TYR 93 Ca 0.47 0.94 -0.10 0.00 0.64 0.00 0.00 57.07 59.01 1o7b s TYR 93 Cb -0.21 0.14 0.15 0.00 0.42 0.00 0.00 41.96 42.46 1o7b s TYR 93 CO 0.77 -0.21 0.75 -0.80 0.64 0.00 0.00 175.55 176.70 1o7b s ASN 94 N 0.07 -1.00 0.21 4.32 -0.87 -1.15 -2.57 114.94 113.95 1o7b s ASN 94 Ca -0.01 1.18 0.11 0.00 -1.57 0.00 0.00 52.86 52.57 1o7b s ASN 94 Cb -0.03 2.06 0.57 0.00 -0.02 0.00 0.00 41.25 43.84 1o7b s ASN 94 CO 0.01 -0.19 1.24 -0.81 -2.57 0.00 0.00 177.10 174.78 1o7b n PRO 95 N 5.32 0.07 -0.50 -0.60 -0.04 -1.26 0.23 135.00 138.23 1o7b n PRO 95 Ca -0.09 0.52 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1o7b n PRO 95 Cb 0.51 -1.88 0.12 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.86 0.00 -1.00 0.54 8.25 -1.26 -4.86 115.22 115.03 1o7b n HIS 96 Ca -0.01 -0.92 -0.13 0.00 -0.26 0.00 0.00 57.72 56.41 1o7b n HIS 96 Cb 0.17 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.84 6.02 -0.43 -1.41 0.00 0.14 -4.99 120.51 119.00 1o7b n ALA 97 Ca 0.13 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1o7b n ALA 97 Cb 0.73 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67