#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 4.82 0.31 1.61 0.11 -1.26 -2.74 120.40 123.25 1o7b s VAL 2 Ca 0.00 1.87 0.11 0.00 -2.93 0.00 0.00 61.98 61.03 1o7b s VAL 2 Cb 0.00 -4.24 -0.06 0.00 -1.53 0.00 0.00 36.38 30.55 1o7b s VAL 2 CO 0.00 -0.00 -0.15 -0.72 -3.33 0.00 0.00 175.10 170.90 1o7b s TYR 3 N 2.16 2.33 -0.12 1.54 1.13 0.39 -4.93 117.35 119.85 1o7b s TYR 3 Ca 0.44 -0.42 -0.06 0.00 -1.41 0.00 0.00 57.07 55.62 1o7b s TYR 3 Cb -0.17 -1.17 -0.04 0.00 -1.10 0.00 0.00 41.96 39.48 1o7b s TYR 3 CO 0.15 0.65 0.11 -3.38 -2.51 0.00 0.00 175.55 170.56 1o7b s HIS 4 N -2.57 3.49 -0.01 -3.49 -3.43 -1.26 0.11 115.29 108.13 1o7b s HIS 4 Ca 0.31 0.44 -0.06 0.00 -0.80 0.00 0.00 55.06 54.95 1o7b s HIS 4 Cb -0.01 -1.93 0.00 0.00 -1.43 0.00 0.00 32.58 29.21 1o7b s HIS 4 CO 0.16 0.64 0.12 1.03 -2.00 0.00 0.00 174.74 174.69 1o7b s ARG 5 N -0.88 0.36 0.00 -0.38 1.81 -0.22 -4.92 118.95 114.73 1o7b s ARG 5 Ca 0.14 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.92 1o7b s ARG 5 Cb -0.12 0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1o7b s ARG 5 CO 0.03 -0.08 0.00 -0.85 -0.68 0.00 0.00 175.30 173.72 1o7b n GLU 6 N 1.97 1.36 -0.02 3.54 0.00 -1.26 -1.29 120.64 124.94 1o7b n GLU 6 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 56.94 1o7b n GLU 6 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 31.44 32.03 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7b n ALA 7 N -3.00 -0.36 -0.33 -1.84 0.00 -0.18 -4.80 120.51 109.99 1o7b n ALA 7 Ca 0.00 -0.11 0.21 0.00 0.00 0.00 0.00 53.44 53.54 1o7b n ALA 7 Cb 0.00 -0.01 0.46 0.00 0.00 0.00 0.00 19.45 19.90 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 0.45 0.00 0.00 3.08 -1.97 -3.36 114.38 112.59 1o7b h ARG 8 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1o7b h ARG 8 Cb 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1o7b h ARG 8 CO 0.02 0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 178.09 1o7b n SER 9 N -4.71 0.00 -4.62 7.04 3.41 -1.26 -5.14 113.62 108.33 1o7b n SER 9 Ca 0.26 -0.82 -0.25 0.00 -0.26 0.00 0.00 58.87 57.80 1o7b n SER 9 Cb 0.83 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 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 2.08 -0.05 5.00 0.00 -1.26 -5.11 107.32 107.98 1o7b s GLY 10 Ca 0.00 -1.97 -0.29 0.00 0.00 0.00 0.00 44.72 42.45 1o7b s GLY 10 CO 0.00 -1.91 0.98 1.25 0.00 0.00 0.00 173.10 173.42 1o7b s LYS 11 N -3.71 4.49 5.56 2.90 2.47 -1.26 -1.02 119.74 129.18 1o7b s LYS 11 Ca 0.35 1.38 0.00 0.00 -1.56 0.00 0.00 55.97 56.14 1o7b s LYS 11 Cb 0.00 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 1o7b s LYS 11 CO 0.19 -0.17 0.00 0.66 0.16 0.00 0.00 175.35 176.19 1o7b n TYR 12 N 4.43 0.00 -1.48 4.03 4.01 -1.25 -4.86 117.16 122.03 1o7b n TYR 12 Ca 0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.64 1o7b n TYR 12 Cb 0.50 0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.51 1o7b n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1o7b n LYS 13 N 11.93 -1.27 -4.02 -0.72 4.76 -1.19 -3.78 118.16 123.88 1o7b n LYS 13 Ca 0.00 1.08 -0.28 0.00 -2.87 0.00 0.00 58.31 56.25 1o7b n LYS 13 Cb 0.00 -5.34 -0.05 0.00 -1.84 0.00 0.00 35.03 27.81 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1o7b s LEU 14 N -3.78 4.01 0.00 -0.35 1.43 -0.84 -4.84 118.68 114.32 1o7b s LEU 14 Ca 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1o7b s LEU 14 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1o7b s LEU 14 CO 0.00 0.10 0.00 0.35 0.23 0.00 0.00 176.35 177.03 1o7b n THR 15 N -0.17 0.00 -0.07 5.49 -2.24 -1.26 -1.91 114.28 114.11 1o7b n THR 15 Ca -0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1o7b n THR 15 Cb 0.53 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.00 4.78 3.20 -1.83 -2.53 116.97 120.59 1o7b h TYR 16 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 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 0.65 -0.37 0.00 -1.64 0.00 0.00 178.16 176.80 1o7b h ALA 17 N -0.52 1.31 0.16 1.82 0.00 -1.98 -2.16 119.26 117.89 1o7b h ALA 17 Ca -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1o7b h ALA 17 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1o7b h ALA 17 CO -0.04 0.46 -0.08 0.93 0.00 0.00 0.00 179.25 180.53 1o7b h GLU 18 N 0.00 -0.21 -0.65 0.00 5.08 -1.97 -2.48 114.58 114.35 1o7b h GLU 18 Ca -0.00 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1o7b h GLU 18 Cb 0.69 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 1o7b h GLU 18 CO 0.05 0.21 0.21 0.00 -1.00 0.00 0.00 179.01 178.48 1o7b h ALA 19 N -0.35 0.84 -0.70 3.43 0.00 -1.43 0.39 119.26 121.45 1o7b h ALA 19 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1o7b h ALA 19 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1o7b h ALA 19 CO 0.04 -0.24 0.42 -0.22 0.00 0.00 0.00 179.25 179.25 1o7b h LYS 20 N 0.36 0.94 -0.15 0.00 3.64 -1.46 -2.30 116.57 117.60 1o7b h LYS 20 Ca 0.35 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1o7b h LYS 20 Cb 0.49 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1o7b h LYS 20 CO -0.38 0.66 0.04 0.00 -2.27 0.00 0.00 179.45 177.51 1o7b h ALA 21 N 1.22 0.19 -0.85 5.00 0.00 -0.71 -2.40 119.26 121.72 1o7b h ALA 21 Ca 0.25 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1o7b h ALA 21 Cb -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1o7b h ALA 21 CO -0.05 -0.19 0.55 0.28 0.00 0.00 0.00 179.25 179.85 1o7b h VAL 22 N 0.05 0.79 0.51 0.00 2.07 -0.78 -0.75 116.25 118.14 1o7b h VAL 22 Ca 0.05 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1o7b h VAL 22 Cb 0.23 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1o7b h VAL 22 CO -0.00 0.10 -0.24 0.00 0.02 0.00 0.00 177.57 177.44 1o7b h GLU 24 N -0.98 0.00 0.01 0.00 5.08 -0.22 0.93 114.58 119.40 1o7b h GLU 24 Ca -0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 1o7b h GLU 24 Cb 0.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1o7b h GLU 24 CO 0.11 0.00 -1.89 0.34 -1.00 0.00 0.00 179.01 176.58 1o7b n PHE 25 N -2.41 0.80 1.23 4.33 7.35 -0.35 -4.06 117.46 124.34 1o7b n PHE 25 Ca -0.02 0.27 0.13 0.00 -0.76 0.00 0.00 57.45 57.07 1o7b n PHE 25 Cb 0.06 -1.14 0.33 0.00 0.35 0.00 0.00 39.48 39.08 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 -3.03 0.96 -0.19 -4.13 1.02 -0.04 -4.95 120.64 110.29 1o7b n GLU 26 Ca -0.22 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1o7b n GLU 26 Cb 1.07 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 1.34 0.77 0.00 0.62 0.00 0.15 -4.99 105.19 103.07 1o7b n GLY 27 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.15 -1.26 3.49 -0.02 0.00 -0.18 -4.34 105.19 102.74 1o7b n GLY 28 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 0.68 -0.25 1.61 -3.43 -0.94 -0.61 115.29 109.34 1o7b s HIS 29 Ca 0.00 -0.99 -0.28 0.00 -0.80 0.00 0.00 55.06 52.99 1o7b s HIS 29 Cb 0.00 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 1o7b s HIS 29 CO 0.00 -0.97 2.12 -0.51 -2.00 0.00 0.00 174.74 173.38 1o7b s LEU 30 N -3.10 3.45 0.00 5.38 1.43 -1.26 -0.90 118.68 123.68 1o7b s LEU 30 Ca 0.27 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1o7b s LEU 30 Cb 0.01 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1o7b s LEU 30 CO 0.12 -1.93 0.00 0.00 0.23 0.00 0.00 176.35 174.78 1o7b n ALA 31 N 11.47 0.00 -2.44 4.21 0.00 -0.80 -4.21 120.51 128.75 1o7b n ALA 31 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 1o7b n ALA 31 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.58 1.07 0.09 0.00 -4.23 -1.26 -2.07 115.64 108.64 1o7b s THR 32 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1o7b s THR 32 Cb 0.00 -2.74 -0.15 0.00 1.34 0.00 0.00 72.50 70.94 1o7b s THR 32 CO 0.00 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 175.96 1o7b h TYR 33 N 2.12 -0.57 -0.56 3.99 3.20 -1.98 0.18 116.97 123.36 1o7b h TYR 33 Ca -0.40 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.56 1o7b h TYR 33 Cb 1.25 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.65 1o7b h TYR 33 CO 0.63 -0.34 0.15 -0.22 -1.64 0.00 0.00 178.16 176.74 1o7b h LYS 34 N -0.55 0.29 -0.54 1.82 3.64 -2.00 0.12 116.57 119.36 1o7b h LYS 34 Ca -0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1o7b h LYS 34 Cb 0.45 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1o7b h LYS 34 CO 0.04 0.19 0.32 1.96 -2.27 0.00 0.00 179.45 179.69 1o7b h GLN 35 N 0.30 0.72 0.00 1.90 4.20 -1.90 0.12 115.11 120.45 1o7b h GLN 35 Ca 0.29 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 1o7b h GLN 35 Cb 0.38 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1o7b h GLN 35 CO -0.34 0.51 -0.28 -0.07 -0.67 0.00 0.00 178.83 177.98 1o7b h LEU 36 N 0.74 0.00 0.73 1.46 -0.00 0.13 -2.38 115.31 115.98 1o7b h LEU 36 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1o7b h LEU 36 Cb -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1o7b h LEU 36 CO -0.04 0.28 -0.35 -0.08 -0.00 0.00 0.00 178.44 178.26 1o7b h GLU 37 N 0.00 -0.94 -0.68 1.13 4.57 0.51 -1.79 114.58 117.37 1o7b h GLU 37 Ca -0.00 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.40 1o7b h GLU 37 Cb 0.55 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 1o7b h GLU 37 CO 0.04 -0.60 0.47 0.00 -1.18 0.00 0.00 179.01 177.73 1o7b h ALA 38 N -1.04 2.34 -0.23 2.92 0.00 -1.38 0.73 119.26 122.59 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 18.54 1o7b h ALA 38 CO 0.16 -0.53 -0.16 0.00 0.00 0.00 0.00 179.25 178.73 1o7b h ALA 39 N 1.67 1.31 0.13 0.00 0.00 -1.14 -2.45 119.26 118.78 1o7b h ALA 39 Ca 0.33 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 1o7b h ALA 39 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1o7b h ALA 39 CO -0.07 0.46 -1.28 -0.09 0.00 0.00 0.00 179.25 178.28 1o7b h ARG 40 N 0.36 0.27 -0.89 0.00 1.12 0.11 -0.66 114.38 114.69 1o7b h ARG 40 Ca 0.07 -0.47 0.26 0.00 -1.11 0.00 0.00 59.98 58.73 1o7b h ARG 40 Cb 0.50 0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.59 1o7b h ARG 40 CO 0.03 1.21 0.69 0.87 -3.11 0.00 0.00 179.97 179.66 1o7b h LYS 41 N 0.07 0.00 0.03 0.20 1.57 0.16 0.12 116.57 118.72 1o7b h LYS 41 Ca -0.15 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.29 1o7b h LYS 41 Cb 1.98 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.24 1o7b h LYS 41 CO 0.20 0.00 -2.03 0.44 -0.57 0.00 0.00 179.45 177.49 1o7b n ILE 42 N -4.09 1.58 0.00 1.86 -6.64 -1.15 -4.99 119.36 105.92 1o7b n ILE 42 Ca 0.19 -0.76 0.00 0.00 -1.77 0.00 0.00 62.75 60.41 1o7b n ILE 42 Cb 1.00 -1.09 0.00 0.00 -1.44 0.00 0.00 39.64 38.12 1o7b n ILE 42 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1o7b n GLY 43 N 1.78 0.48 3.53 3.28 0.00 0.42 -5.08 105.19 109.60 1o7b n GLY 43 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.19 2.63 -0.24 1.61 5.36 -0.27 -4.97 117.98 121.91 1o7b s PHE 44 Ca 0.00 -0.84 -0.13 0.00 -0.96 0.00 0.00 56.93 55.00 1o7b s PHE 44 Cb 0.00 -4.58 -0.05 0.00 -0.34 0.00 0.00 43.02 38.05 1o7b s PHE 44 CO 0.00 -1.85 0.26 -1.58 -1.46 0.00 0.00 175.22 170.59 1o7b s HIS 45 N 4.56 3.31 -0.30 10.12 5.65 -1.26 -4.65 115.29 132.72 1o7b s HIS 45 Ca 0.41 0.34 -0.15 0.00 0.25 0.00 0.00 55.06 55.91 1o7b s HIS 45 Cb -0.03 -2.40 0.18 0.00 -1.18 0.00 0.00 32.58 29.15 1o7b s HIS 45 CO -0.06 -0.03 1.07 0.54 -0.65 0.00 0.00 174.74 175.61 1o7b s VAL 46 N 1.38 -0.34 -2.00 0.89 0.11 -1.21 -4.98 120.40 114.25 1o7b s VAL 46 Ca 0.12 0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.28 1o7b s VAL 46 Cb -0.15 -1.00 0.34 0.00 -1.53 0.00 0.00 36.38 34.04 1o7b s VAL 46 CO 0.07 0.00 1.40 0.00 -3.33 0.00 0.00 175.10 173.24 1o7b s ALA 48 N -2.00 3.69 -0.28 0.00 0.00 -1.26 -4.87 121.76 117.05 1o7b s ALA 48 Ca 0.18 -3.03 -0.42 0.00 0.00 0.00 0.00 51.96 48.69 1o7b s ALA 48 Cb 0.08 -3.86 -0.17 0.00 0.00 0.00 0.00 23.12 19.17 1o7b s ALA 48 CO 0.14 -2.71 1.62 0.00 0.00 0.00 0.00 175.76 174.81 1o7b n ALA 49 N 5.51 -0.79 -2.83 0.00 0.00 -1.25 -4.61 120.51 116.54 1o7b n ALA 49 Ca 0.22 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.73 1o7b n ALA 49 Cb 0.48 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 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 2.84 1.86 0.69 0.00 0.00 -0.78 0.63 107.32 112.55 1o7b s GLY 50 Ca 0.98 -1.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1o7b s GLY 50 CO 0.67 0.51 0.91 0.79 0.00 0.00 0.00 173.10 175.98 1o7b n TRP 51 N 4.76 0.52 -3.39 1.90 7.02 -1.06 -4.07 117.44 123.11 1o7b n TRP 51 Ca -0.15 0.40 -0.01 0.00 -1.02 0.00 0.00 57.50 56.72 1o7b n TRP 51 Cb 0.52 -2.08 -0.00 0.00 -2.42 0.00 0.00 31.31 27.33 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 -1.47 0.05 -1.45 -0.99 0.00 -0.36 -2.97 117.12 109.92 1o7b n MET 52 Ca 0.13 -0.14 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 1o7b n MET 52 Cb 0.49 0.14 0.05 0.00 0.00 0.00 0.00 33.22 33.90 1o7b n MET 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1o7b n ALA 53 N -2.88 -1.00 -0.51 3.17 0.00 -0.88 -0.77 120.51 117.64 1o7b n ALA 53 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1o7b n ALA 53 Cb 0.03 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1o7b n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1o7b n LYS 54 N -0.34 0.00 -0.87 0.00 3.00 -1.26 -1.90 118.16 116.78 1o7b n LYS 54 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1o7b n LYS 54 Cb 0.48 -3.83 0.00 0.00 0.00 0.00 0.00 35.03 31.68 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1o7b n GLY 55 N -2.00 0.49 3.77 3.14 0.00 0.05 -4.92 105.19 105.72 1o7b n GLY 55 Ca 0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.28 3.91 -0.01 1.61 3.52 -0.80 -4.70 118.95 121.20 1o7b s ARG 56 Ca 0.00 1.95 0.02 0.00 -0.13 0.00 0.00 55.73 57.58 1o7b s ARG 56 Cb 0.00 -2.63 -0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1o7b s ARG 56 CO 0.00 -0.47 -0.08 0.14 -0.81 0.00 0.00 175.30 174.08 1o7b s VAL 57 N -1.38 0.63 0.06 7.11 -7.23 -1.26 -1.22 120.40 117.11 1o7b s VAL 57 Ca 0.59 -0.32 -0.27 0.00 -1.81 0.00 0.00 61.98 60.16 1o7b s VAL 57 Cb -0.33 -0.54 0.09 0.00 0.56 0.00 0.00 36.38 36.16 1o7b s VAL 57 CO 0.42 0.18 0.96 -0.83 -0.31 0.00 0.00 175.10 175.52 1o7b s GLY 58 N -0.08 -0.35 -0.33 2.32 0.00 -1.26 -3.90 107.32 103.72 1o7b s GLY 58 Ca 0.02 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 1o7b s GLY 58 CO -0.00 0.18 0.18 -2.52 0.00 0.00 0.00 173.10 170.93 1o7b s TYR 59 N -3.12 0.68 -0.69 1.90 1.13 -0.42 -1.86 117.35 114.97 1o7b s TYR 59 Ca 0.09 -1.40 -0.26 0.00 -1.41 0.00 0.00 57.07 54.09 1o7b s TYR 59 Cb -0.01 -0.99 -0.11 0.00 -1.10 0.00 0.00 41.96 39.75 1o7b s TYR 59 CO -0.03 -0.83 2.38 -1.25 -2.51 0.00 0.00 175.55 173.30 1o7b s PRO 60 N 1.43 1.83 -0.28 -3.49 0.04 -1.25 -2.69 135.00 130.59 1o7b s PRO 60 Ca 0.14 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 61.73 1o7b s PRO 60 Cb -0.20 -4.72 -0.01 0.00 0.04 0.00 0.00 34.50 29.61 1o7b s PRO 60 CO -0.14 -3.98 0.73 0.42 0.04 0.00 0.00 177.00 174.07 1o7b s ILE 61 N 13.62 4.88 -0.18 0.56 -1.09 -0.74 -3.31 121.20 134.93 1o7b s ILE 61 Ca 0.93 1.18 0.11 0.00 -2.23 0.00 0.00 60.65 60.64 1o7b s ILE 61 Cb -0.14 -4.06 -0.23 0.00 -1.58 0.00 0.00 42.46 36.45 1o7b s ILE 61 CO 0.14 -0.12 0.13 0.52 -1.23 0.00 0.00 174.94 174.37 1o7b n VAL 62 N 5.37 1.49 -3.85 2.92 0.31 -1.26 -1.90 118.33 121.41 1o7b n VAL 62 Ca 0.02 -0.76 -0.33 0.00 -0.01 0.00 0.00 64.34 63.26 1o7b n VAL 62 Cb 0.48 -0.91 -0.12 0.00 -0.91 0.00 0.00 33.84 32.38 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 -2.52 2.22 1.04 5.55 2.20 -1.26 -4.96 119.74 122.01 1o7b s LYS 63 Ca -0.16 -2.56 -0.14 0.00 -0.36 0.00 0.00 55.97 52.75 1o7b s LYS 63 Cb 0.07 -3.50 0.14 0.00 -1.51 0.00 0.00 37.83 33.03 1o7b s LYS 63 CO 0.77 -1.13 0.60 -2.30 -0.36 0.00 0.00 175.35 172.92 1o7b n PRO 64 N 3.31 -1.18 -3.67 4.03 -0.02 -1.26 -4.84 135.00 131.37 1o7b n PRO 64 Ca 0.06 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1o7b n PRO 64 Cb 0.35 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.27 -1.83 3.72 -1.23 0.00 -0.10 -4.90 105.19 102.12 1o7b n GLY 65 Ca 0.05 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.66 4.31 -1.64 1.61 0.04 -1.26 -2.39 135.00 134.01 1o7b s PRO 66 Ca 0.00 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1o7b s PRO 66 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1o7b s PRO 66 CO 0.00 -0.43 0.00 0.09 0.04 0.00 0.00 177.00 176.70 1o7b n ASN 67 N 3.68 -5.59 -2.72 6.66 3.02 -1.26 -4.80 115.26 114.24 1o7b n ASN 67 Ca 0.11 0.38 -0.07 0.00 -0.03 0.00 0.00 54.58 54.98 1o7b n ASN 67 Cb 0.42 -4.46 0.06 0.00 -0.61 0.00 0.00 39.78 35.19 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o7b n GLY 69 N 1.70 2.95 0.00 0.00 0.00 -1.16 -0.93 105.19 107.75 1o7b n GLY 69 Ca 0.07 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.00 0.00 1.61 3.01 -1.26 -3.81 117.46 117.01 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 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.62 1.97 3.45 1.37 0.00 -1.26 -5.08 105.19 106.26 1o7b n GLY 71 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1o7b n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7b n LYS 72 N -0.35 -0.16 -3.66 1.61 4.81 -1.26 -5.00 118.16 114.15 1o7b n LYS 72 Ca 0.00 -2.35 -0.18 0.00 -0.87 0.00 0.00 58.31 54.90 1o7b n LYS 72 Cb 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 35.03 34.22 1o7b n LYS 72 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1o7b s THR 73 N -2.83 -0.20 -5.00 3.15 -4.23 -1.26 -4.65 115.64 100.62 1o7b s THR 73 Ca 0.60 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1o7b s THR 73 Cb -0.03 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.55 1o7b s THR 73 CO 0.40 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1o7b n GLY 74 N 5.31 0.37 3.64 3.99 0.00 -0.80 -5.00 105.19 112.71 1o7b n GLY 74 Ca -0.04 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.42 3.41 -1.00 -0.61 1.01 -1.26 -1.80 121.20 119.54 1o7b s ILE 75 Ca 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.98 1o7b s ILE 75 Cb 0.00 -3.37 0.17 0.00 0.01 0.00 0.00 42.46 39.28 1o7b s ILE 75 CO 0.00 -0.10 1.13 -0.63 0.00 0.00 0.00 174.94 175.34 1o7b s ILE 76 N 4.96 5.12 -0.15 2.92 -1.09 -1.09 -4.83 121.20 127.03 1o7b s ILE 76 Ca 0.80 -2.22 -0.00 0.00 -2.23 0.00 0.00 60.65 56.99 1o7b s ILE 76 Cb -0.33 -4.73 0.03 0.00 -1.58 0.00 0.00 42.46 35.85 1o7b s ILE 76 CO 0.33 -1.41 -0.07 -0.62 -1.23 0.00 0.00 174.94 171.94 1o7b s ASP 77 N 2.89 2.60 -0.01 3.58 2.15 -1.26 -1.30 116.67 125.32 1o7b s ASP 77 Ca 0.32 -0.53 0.03 0.00 0.43 0.00 0.00 52.55 52.80 1o7b s ASP 77 Cb -0.06 -0.92 0.11 0.00 -0.30 0.00 0.00 42.92 41.76 1o7b s ASP 77 CO -0.07 -0.15 0.95 -1.22 -0.17 0.00 0.00 175.17 174.51 1o7b n TYR 78 N 4.89 0.21 -0.53 -5.34 4.01 -1.25 -5.00 117.16 114.15 1o7b n TYR 78 Ca -0.13 -0.09 0.07 0.00 -0.16 0.00 0.00 57.90 57.59 1o7b n TYR 78 Cb 0.49 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.48 -2.20 3.65 2.72 0.00 -1.26 -4.83 105.19 103.75 1o7b n GLY 79 Ca 0.04 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.16 1.89 -0.26 -0.61 2.08 -1.26 -4.73 119.36 113.31 1o7b n ILE 80 Ca -0.01 -0.47 0.06 0.00 0.56 0.00 0.00 62.75 62.88 1o7b n ILE 80 Cb 0.25 -1.34 0.16 0.00 -0.75 0.00 0.00 39.64 37.95 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 0.75 2.88 -0.15 0.38 5.12 -1.26 -4.94 116.66 119.44 1o7b n ARG 81 Ca 0.07 -2.11 0.00 0.00 -1.93 0.00 0.00 57.85 53.89 1o7b n ARG 81 Cb 0.34 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 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 0.33 0.19 -3.90 0.55 7.99 -1.26 -4.83 117.00 116.07 1o7b n LEU 82 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.83 1o7b n LEU 82 Cb 0.47 -0.58 -0.13 0.00 -0.11 0.00 0.00 43.42 43.07 1o7b n LEU 82 CO 0.08 -0.10 -0.08 0.20 -1.51 0.00 0.00 177.39 175.98 1o7b s ASN 83 N -2.38 4.62 0.00 -1.43 0.02 -1.26 -4.93 114.94 109.59 1o7b s ASN 83 Ca 0.00 -3.59 0.00 0.00 -1.02 0.00 0.00 52.86 48.25 1o7b s ASN 83 Cb 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 41.25 39.66 1o7b s ASN 83 CO 0.00 -0.13 0.46 -2.11 0.02 0.00 0.00 177.10 175.34 1o7b n ARG 84 N 2.32 0.59 -0.18 -0.60 0.00 -1.26 -3.08 116.66 114.45 1o7b n ARG 84 Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.12 1o7b n ARG 84 Cb 0.34 -1.24 0.23 0.00 -0.00 0.00 0.00 32.46 31.78 1o7b n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o7b n SER 85 N 0.48 3.32 -4.22 2.89 7.64 -1.26 -2.77 113.62 119.70 1o7b n SER 85 Ca 0.00 -1.98 -0.29 0.00 1.01 0.00 0.00 58.87 57.62 1o7b n SER 85 Cb 0.23 -0.23 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.54 -1.48 -0.46 1.43 0.41 -1.18 -4.91 118.70 110.98 1o7b s GLU 86 Ca 0.38 0.59 0.00 0.00 -0.41 0.00 0.00 54.97 55.54 1o7b s GLU 86 Cb 0.22 -1.51 0.12 0.00 -1.78 0.00 0.00 34.13 31.19 1o7b s GLU 86 CO 0.31 -4.03 0.22 1.03 -0.49 0.00 0.00 175.26 172.30 1o7b s ARG 87 N -4.65 1.97 0.00 1.61 3.00 -1.25 -4.10 118.95 115.53 1o7b s ARG 87 Ca 0.68 -2.15 0.00 0.00 0.00 0.00 0.00 55.73 54.26 1o7b s ARG 87 Cb -0.21 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.28 1o7b s ARG 87 CO 0.63 -1.07 0.00 0.91 0.00 0.00 0.00 175.30 175.77 1o7b n TRP 88 N 3.96 0.00 0.00 -0.53 5.03 -0.80 -4.00 117.44 121.09 1o7b n TRP 88 Ca 0.03 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.56 1o7b n TRP 88 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.67 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 -3.55 -0.99 9.92 0.20 -1.98 116.55 120.16 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 -2.20 -2.31 -1.28 2.24 0.00 -0.41 -2.55 121.76 115.24 1o7b s ALA 90 Ca 0.00 2.23 -0.12 0.00 0.00 0.00 0.00 51.96 54.07 1o7b s ALA 90 Cb 0.00 -1.87 0.14 0.00 0.00 0.00 0.00 23.12 21.39 1o7b s ALA 90 CO 0.00 -0.90 1.78 0.66 0.00 0.00 0.00 175.76 177.30 1o7b n TYR 91 N 5.16 3.76 -0.94 0.00 4.01 -1.16 -1.05 117.16 126.95 1o7b n TYR 91 Ca -0.11 -2.99 -0.34 0.00 -0.16 0.00 0.00 57.90 54.30 1o7b n TYR 91 Cb 0.51 -2.15 0.10 0.00 -0.31 0.00 0.00 39.34 37.49 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 -2.24 -0.80 -0.30 0.00 6.14 -0.08 0.15 117.35 120.22 1o7b s TYR 93 Ca 0.59 1.56 -0.13 0.00 0.64 0.00 0.00 57.07 59.73 1o7b s TYR 93 Cb -0.25 0.36 0.17 0.00 0.42 0.00 0.00 41.96 42.66 1o7b s TYR 93 CO 0.65 -0.45 0.95 1.21 0.64 0.00 0.00 175.55 178.55 1o7b s ASN 94 N 2.12 -0.66 0.00 4.32 2.47 -1.11 -2.22 114.94 119.86 1o7b s ASN 94 Ca -0.06 0.68 0.05 0.00 0.42 0.00 0.00 52.86 53.95 1o7b s ASN 94 Cb -0.10 1.66 0.22 0.00 -1.45 0.00 0.00 41.25 41.59 1o7b s ASN 94 CO -0.14 -0.12 1.04 -0.81 -3.72 0.00 0.00 177.10 173.35 1o7b n PRO 95 N 5.19 0.04 -0.05 0.43 -0.04 -1.26 -0.79 135.00 138.53 1o7b n PRO 95 Ca -0.08 0.30 0.03 0.00 -0.04 0.00 0.00 63.50 63.71 1o7b n PRO 95 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1o7b n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1o7b n HIS 96 N -1.36 0.12 -1.11 0.54 -0.00 -1.26 -4.70 115.22 107.45 1o7b n HIS 96 Ca 0.02 -0.25 -0.17 0.00 0.46 0.00 0.00 57.72 57.77 1o7b n HIS 96 Cb 0.04 -0.02 -0.14 0.00 -0.12 0.00 0.00 29.99 29.76 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7b n ALA 97 N 0.16 6.52 -0.05 1.57 0.00 0.03 -5.09 120.51 123.65 1o7b n ALA 97 Ca 0.05 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.28 1o7b n ALA 97 Cb 0.24 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1o7b n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13