#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 4.92 0.26 1.61 0.11 -1.26 -1.78 120.40 124.26 1o7b s VAL 2 Ca 0.00 1.39 0.02 0.00 -2.93 0.00 0.00 61.98 60.46 1o7b s VAL 2 Cb 0.00 -4.01 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 1o7b s VAL 2 CO 0.00 0.35 0.07 -0.72 -3.33 0.00 0.00 175.10 171.46 1o7b s TYR 3 N 0.21 1.57 -0.10 1.54 1.13 0.94 -4.93 117.35 117.70 1o7b s TYR 3 Ca 0.35 -1.09 -0.02 0.00 -1.41 0.00 0.00 57.07 54.90 1o7b s TYR 3 Cb -0.18 -0.94 -0.03 0.00 -1.10 0.00 0.00 41.96 39.70 1o7b s TYR 3 CO 0.19 -0.23 -0.01 -1.58 -2.51 0.00 0.00 175.55 171.41 1o7b s HIS 4 N -3.62 3.13 0.05 -3.49 5.65 -1.26 0.77 115.29 116.51 1o7b s HIS 4 Ca 0.35 0.11 -0.07 0.00 0.25 0.00 0.00 55.06 55.69 1o7b s HIS 4 Cb 0.07 -1.82 -0.01 0.00 -1.18 0.00 0.00 32.58 29.65 1o7b s HIS 4 CO 0.12 0.37 0.15 1.03 -0.65 0.00 0.00 174.74 175.76 1o7b s ARG 5 N -0.64 0.69 0.00 2.88 1.81 0.44 -4.93 118.95 119.19 1o7b s ARG 5 Ca 0.10 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1o7b s ARG 5 Cb -0.12 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 1o7b s ARG 5 CO 0.02 -0.19 0.00 -0.85 -0.68 0.00 0.00 175.30 173.60 1o7b n GLU 6 N 0.49 1.37 -0.05 3.54 0.00 -1.26 -0.94 120.64 123.79 1o7b n GLU 6 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.96 1o7b n GLU 6 Cb 0.60 0.00 0.02 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 -0.40 -0.35 -1.84 0.00 0.43 -4.79 120.51 110.56 1o7b n ALA 7 Ca 0.00 -0.14 0.34 0.00 0.00 0.00 0.00 53.44 53.64 1o7b n ALA 7 Cb 0.00 -0.01 0.69 0.00 0.00 0.00 0.00 19.45 20.13 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 0.09 0.00 0.00 3.08 -1.98 -3.36 114.38 112.21 1o7b h ARG 8 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1o7b h ARG 8 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1o7b h ARG 8 CO 0.02 0.06 0.00 0.43 -1.07 0.00 0.00 179.97 179.41 1o7b n SER 9 N -4.30 0.00 -4.94 7.04 7.64 -1.26 -5.14 113.62 112.66 1o7b n SER 9 Ca 0.27 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.92 1o7b n SER 9 Cb 1.23 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.41 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 1.35 0.20 0.23 0.00 -1.26 -5.09 107.32 102.75 1o7b s GLY 10 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 44.72 43.91 1o7b s GLY 10 CO 0.00 -0.84 -0.05 1.25 0.00 0.00 0.00 173.10 173.46 1o7b s LYS 11 N -4.30 2.20 -0.99 2.90 2.20 -1.26 -0.43 119.74 120.06 1o7b s LYS 11 Ca 0.40 -1.26 -0.13 0.00 -0.36 0.00 0.00 55.97 54.62 1o7b s LYS 11 Cb -0.10 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1o7b s LYS 11 CO 0.36 0.43 0.71 0.66 -0.36 0.00 0.00 175.35 177.14 1o7b n TYR 12 N -0.19 -2.06 -1.95 4.03 4.02 -1.26 -4.88 117.16 114.88 1o7b n TYR 12 Ca -0.10 0.63 -0.02 0.00 -0.01 0.00 0.00 57.90 58.40 1o7b n TYR 12 Cb 0.56 -3.27 -0.00 0.00 -0.02 0.00 0.00 39.34 36.61 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 -3.44 0.14 -4.13 -0.72 2.85 -1.12 -4.63 118.16 107.10 1o7b n LYS 13 Ca -0.15 -0.32 -0.29 0.00 -1.05 0.00 0.00 58.31 56.51 1o7b n LYS 13 Cb 0.60 0.38 -0.08 0.00 -0.65 0.00 0.00 35.03 35.28 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 -0.41 3.49 0.00 -5.58 1.43 -0.48 -4.81 118.68 112.32 1o7b s LEU 14 Ca 0.01 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1o7b s LEU 14 Cb 0.04 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1o7b s LEU 14 CO -0.01 0.15 0.00 0.35 0.23 0.00 0.00 176.35 177.07 1o7b n THR 15 N 0.35 0.00 -0.07 5.49 -2.24 -1.26 -2.22 114.28 114.33 1o7b n THR 15 Ca -0.10 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 1o7b n THR 15 Cb 0.53 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.78 -2.50 116.97 120.67 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 0.47 -0.21 0.00 -1.64 0.00 0.00 178.16 176.79 1o7b h ALA 17 N -0.68 1.60 0.22 1.82 0.00 -1.98 -1.84 119.26 118.40 1o7b h ALA 17 Ca -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1o7b h ALA 17 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1o7b h ALA 17 CO -0.03 0.26 -0.11 0.93 0.00 0.00 0.00 179.25 180.30 1o7b h GLU 18 N 0.00 -0.29 -1.01 0.00 5.08 -1.96 -2.68 114.58 113.73 1o7b h GLU 18 Ca -0.00 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.60 1o7b h GLU 18 Cb 0.38 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 1o7b h GLU 18 CO 0.03 -0.08 0.60 0.00 -1.00 0.00 0.00 179.01 178.57 1o7b h ALA 19 N -0.89 1.76 0.04 3.43 0.00 -1.40 0.11 119.26 122.32 1o7b h ALA 19 Ca -0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1o7b h ALA 19 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1o7b h ALA 19 CO 0.05 -0.20 -0.02 -0.22 0.00 0.00 0.00 179.25 178.86 1o7b h LYS 20 N 0.65 -0.05 -0.45 0.00 3.64 -1.41 -2.22 116.57 116.72 1o7b h LYS 20 Ca 0.62 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 60.01 1o7b h LYS 20 Cb 1.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1o7b h LYS 20 CO -0.44 0.13 0.29 0.00 -2.27 0.00 0.00 179.45 177.17 1o7b h ALA 21 N 0.72 0.58 -0.83 5.00 0.00 -0.77 -1.66 119.26 122.29 1o7b h ALA 21 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1o7b h ALA 21 Cb 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1o7b h ALA 21 CO 0.01 0.00 0.54 0.28 0.00 0.00 0.00 179.25 180.09 1o7b h VAL 22 N 0.59 0.85 0.68 0.00 2.07 -0.77 -0.13 116.25 119.54 1o7b h VAL 22 Ca 0.17 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1o7b h VAL 22 Cb -0.04 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1o7b h VAL 22 CO -0.05 0.11 -0.32 0.00 0.02 0.00 0.00 177.57 177.33 1o7b h GLU 24 N -1.19 0.00 0.00 0.00 5.08 0.15 0.18 114.58 118.80 1o7b h GLU 24 Ca -0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1o7b h GLU 24 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1o7b h GLU 24 CO 0.15 0.00 -0.96 0.35 -1.00 0.00 0.00 179.01 177.55 1o7b h PHE 25 N 0.00 0.00 -0.71 4.33 3.57 -0.84 -3.28 116.94 120.01 1o7b h PHE 25 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1o7b h PHE 25 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1o7b h PHE 25 CO 0.00 0.54 0.00 0.39 -2.23 0.00 0.00 178.31 177.01 1o7b n GLU 26 N -3.06 3.28 -1.55 1.11 1.02 0.54 -4.95 120.64 117.03 1o7b n GLU 26 Ca -0.04 -2.81 -0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1o7b n GLU 26 Cb 0.79 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.42 -0.08 0.00 0.62 0.00 -0.68 -4.71 105.19 101.76 1o7b n GLY 27 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.13 -1.38 3.51 -0.02 0.00 -0.70 -3.73 105.19 101.74 1o7b n GLY 28 Ca -0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1o7b n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7b s HIS 29 N -2.99 0.56 -0.23 1.61 -3.43 -0.81 -0.09 115.29 109.91 1o7b s HIS 29 Ca 0.00 -0.89 -0.28 0.00 -0.80 0.00 0.00 55.06 53.09 1o7b s HIS 29 Cb 0.00 0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 31.14 1o7b s HIS 29 CO 0.00 -0.95 2.20 -0.51 -2.00 0.00 0.00 174.74 173.48 1o7b s LEU 30 N -3.06 3.44 0.00 5.38 1.43 -1.26 -0.35 118.68 124.26 1o7b s LEU 30 Ca 0.26 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1o7b s LEU 30 Cb 0.01 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1o7b s LEU 30 CO 0.10 -1.95 0.00 0.00 0.23 0.00 0.00 176.35 174.73 1o7b n ALA 31 N 11.63 0.00 -2.32 4.21 0.00 0.16 -4.48 120.51 129.71 1o7b n ALA 31 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 1o7b n ALA 31 Cb 0.45 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 -0.57 0.94 0.12 0.00 -4.23 -1.26 -2.22 115.64 108.42 1o7b s THR 32 Ca 0.00 -2.02 -0.24 0.00 -1.18 0.00 0.00 61.69 58.25 1o7b s THR 32 Cb 0.00 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1o7b s THR 32 CO 0.00 -0.28 1.65 0.22 -0.54 0.00 0.00 174.62 175.67 1o7b h TYR 33 N 2.47 -0.53 -0.51 3.99 3.20 -1.96 0.39 116.97 124.02 1o7b h TYR 33 Ca -0.38 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.60 1o7b h TYR 33 Cb 1.22 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.66 1o7b h TYR 33 CO 0.56 -0.29 0.08 0.87 -1.64 0.00 0.00 178.16 177.74 1o7b h LYS 34 N -0.31 0.20 -0.56 1.82 1.57 -2.00 0.78 116.57 118.08 1o7b h LYS 34 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1o7b h LYS 34 Cb 0.40 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1o7b h LYS 34 CO -0.21 0.14 0.36 1.96 -0.57 0.00 0.00 179.45 181.12 1o7b h GLN 35 N 0.21 0.74 -0.24 3.15 4.20 -1.81 -0.81 115.11 120.54 1o7b h GLN 35 Ca 0.26 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1o7b h GLN 35 Cb 0.36 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1o7b h GLN 35 CO -0.35 0.49 -0.01 1.25 -0.67 0.00 0.00 178.83 179.54 1o7b h LEU 36 N 0.76 0.34 0.55 1.46 7.12 0.13 -2.30 115.31 123.37 1o7b h LEU 36 Ca 0.20 -0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 1o7b h LEU 36 Cb -0.08 -0.09 0.01 0.00 -0.53 0.00 0.00 40.66 39.97 1o7b h LEU 36 CO -0.04 0.40 -0.26 -0.08 -0.13 0.00 0.00 178.44 178.33 1o7b h GLU 37 N 0.36 -0.71 -0.91 1.25 4.57 -0.27 -0.08 114.58 118.79 1o7b h GLU 37 Ca 0.08 0.05 0.26 0.00 -1.18 0.00 0.00 59.36 58.57 1o7b h GLU 37 Cb 0.26 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 1o7b h GLU 37 CO 0.01 -0.40 0.65 0.00 -1.18 0.00 0.00 179.01 178.09 1o7b h ALA 38 N -0.68 2.86 0.01 2.92 0.00 -1.31 0.91 119.26 123.97 1o7b h ALA 38 Ca -0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1o7b h ALA 38 Cb 0.64 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1o7b h ALA 38 CO 0.12 -1.12 -0.96 0.00 0.00 0.00 0.00 179.25 177.29 1o7b h ALA 39 N 1.55 0.42 -0.20 0.00 0.00 -1.07 -3.26 119.26 116.70 1o7b h ALA 39 Ca 0.43 -0.85 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1o7b h ALA 39 Cb 1.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1o7b h ALA 39 CO -0.00 1.14 -0.47 -0.09 0.00 0.00 0.00 179.25 179.82 1o7b h ARG 40 N 0.01 0.53 -0.01 0.00 2.43 0.27 -1.18 114.38 116.43 1o7b h ARG 40 Ca -0.02 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1o7b h ARG 40 Cb 1.68 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1o7b h ARG 40 CO 0.13 0.89 0.01 1.57 -1.51 0.00 0.00 179.97 181.06 1o7b h LYS 41 N 0.43 0.00 0.00 0.20 2.10 -1.23 -0.42 116.57 117.65 1o7b h LYS 41 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1o7b h LYS 41 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1o7b h LYS 41 CO 0.09 0.00 -0.65 -0.84 -2.00 0.00 0.00 179.45 176.05 1o7b h ILE 42 N 0.00 0.00 0.00 0.07 -0.00 -1.62 -3.48 117.51 112.49 1o7b h ILE 42 Ca 0.01 -0.66 0.00 0.00 -0.00 0.00 0.00 64.86 64.21 1o7b h ILE 42 Cb 0.02 1.27 0.00 0.00 -0.00 0.00 0.00 36.82 38.11 1o7b h ILE 42 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 1o7b n GLY 43 N 1.28 0.86 3.38 0.16 0.00 -0.17 -5.06 105.19 105.63 1o7b n GLY 43 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.27 3.92 -0.24 1.61 5.36 -0.46 -4.99 117.98 121.90 1o7b s PHE 44 Ca 0.00 -2.34 -0.06 0.00 -0.96 0.00 0.00 56.93 53.56 1o7b s PHE 44 Cb 0.00 -3.98 -0.02 0.00 -0.34 0.00 0.00 43.02 38.68 1o7b s PHE 44 CO 0.00 -1.11 0.04 -1.58 -1.46 0.00 0.00 175.22 171.11 1o7b s HIS 45 N -0.05 3.05 -0.11 10.12 5.65 -1.26 -4.54 115.29 128.16 1o7b s HIS 45 Ca 0.32 -0.61 -0.03 0.00 0.25 0.00 0.00 55.06 54.99 1o7b s HIS 45 Cb -0.08 -2.20 0.05 0.00 -1.18 0.00 0.00 32.58 29.17 1o7b s HIS 45 CO -0.06 -0.43 0.14 0.08 -0.65 0.00 0.00 174.74 173.82 1o7b s VAL 46 N 1.57 -0.21 -1.66 0.89 1.01 -0.90 -4.89 120.40 116.19 1o7b s VAL 46 Ca 0.06 0.22 0.15 0.00 0.00 0.00 0.00 61.98 62.41 1o7b s VAL 46 Cb -0.15 -0.36 0.32 0.00 0.00 0.00 0.00 36.38 36.19 1o7b s VAL 46 CO 0.01 0.04 1.35 0.00 0.00 0.00 0.00 175.10 176.51 1o7b s ALA 48 N -2.34 3.67 -0.04 0.00 0.00 -1.26 -4.85 121.76 116.95 1o7b s ALA 48 Ca 0.17 -3.03 -0.38 0.00 0.00 0.00 0.00 51.96 48.72 1o7b s ALA 48 Cb 0.10 -3.98 -0.19 0.00 0.00 0.00 0.00 23.12 19.05 1o7b s ALA 48 CO 0.20 -2.81 1.05 0.00 0.00 0.00 0.00 175.76 174.20 1o7b n ALA 49 N 5.83 -3.32 -3.06 0.00 0.00 -1.25 -4.53 120.51 114.19 1o7b n ALA 49 Ca 0.26 0.56 -0.35 0.00 0.00 0.00 0.00 53.44 53.91 1o7b n ALA 49 Cb 0.47 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 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 0.22 1.73 0.03 0.00 0.00 -0.61 0.87 107.32 109.56 1o7b s GLY 50 Ca 0.87 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 1o7b s GLY 50 CO 0.56 0.19 1.83 -0.98 0.00 0.00 0.00 173.10 174.70 1o7b s TRP 51 N 0.89 1.72 0.32 1.90 0.52 -1.06 -4.10 118.94 119.14 1o7b s TRP 51 Ca 0.01 -0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.04 1o7b s TRP 51 Cb -0.14 -4.11 -0.02 0.00 -1.15 0.00 0.00 33.47 28.04 1o7b s TRP 51 CO 0.02 -4.81 0.32 0.00 0.02 0.00 0.00 176.95 172.50 1o7b s MET 52 N 3.89 1.75 0.84 4.98 0.23 -0.37 -3.69 119.30 126.92 1o7b s MET 52 Ca 0.82 -1.91 0.00 0.00 -1.03 0.00 0.00 55.69 53.57 1o7b s MET 52 Cb -0.40 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 1o7b s MET 52 CO 0.36 -0.66 0.00 0.00 -2.03 0.00 0.00 175.02 172.69 1o7b n ALA 53 N -0.57 0.00 0.24 3.16 0.00 -0.94 0.51 120.51 122.90 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 0.62 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.41 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 6.56 -1.98 -3.37 116.57 117.78 1o7b h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1o7b h LYS 54 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1o7b h LYS 54 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1o7b n GLY 55 N -1.30 0.00 3.74 3.86 0.00 -0.43 -5.08 105.19 105.98 1o7b n GLY 55 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.48 -0.01 1.61 3.52 0.18 -4.75 118.95 123.99 1o7b s ARG 56 Ca 0.00 1.04 0.05 0.00 -0.13 0.00 0.00 55.73 56.69 1o7b s ARG 56 Cb 0.00 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1o7b s ARG 56 CO 0.00 0.22 -0.15 0.14 -0.81 0.00 0.00 175.30 174.70 1o7b s VAL 57 N 0.17 3.00 0.04 7.11 -7.23 -1.26 -1.24 120.40 121.00 1o7b s VAL 57 Ca 0.39 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 1o7b s VAL 57 Cb -0.20 -2.23 0.09 0.00 0.56 0.00 0.00 36.38 34.61 1o7b s VAL 57 CO 0.22 0.46 0.93 -0.83 -0.31 0.00 0.00 175.10 175.57 1o7b s GLY 58 N -1.10 -0.39 -0.25 2.32 0.00 -1.26 -4.03 107.32 102.61 1o7b s GLY 58 Ca 0.13 0.74 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 1o7b s GLY 58 CO 0.03 0.23 0.23 -2.52 0.00 0.00 0.00 173.10 171.08 1o7b s TYR 59 N -3.14 -0.24 -0.48 1.90 1.13 -0.69 -1.57 117.35 114.26 1o7b s TYR 59 Ca 0.08 -0.15 -0.27 0.00 -1.41 0.00 0.00 57.07 55.32 1o7b s TYR 59 Cb -0.01 -0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.31 1o7b s TYR 59 CO -0.05 -0.78 1.97 -1.25 -2.51 0.00 0.00 175.55 172.94 1o7b s PRO 60 N 2.30 2.75 -0.77 -3.49 0.04 -1.24 -2.01 135.00 132.58 1o7b s PRO 60 Ca 0.08 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 1o7b s PRO 60 Cb -0.15 -4.37 0.13 0.00 0.04 0.00 0.00 34.50 30.15 1o7b s PRO 60 CO -0.25 -2.55 0.89 0.42 0.04 0.00 0.00 177.00 175.54 1o7b s ILE 61 N 9.03 4.91 -0.06 0.56 -1.09 -0.91 -2.13 121.20 131.51 1o7b s ILE 61 Ca 0.79 -1.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1o7b s ILE 61 Cb -0.17 -4.61 -0.25 0.00 -1.58 0.00 0.00 42.46 35.85 1o7b s ILE 61 CO 0.26 -1.27 0.59 0.58 -1.23 0.00 0.00 174.94 173.87 1o7b h VAL 62 N 5.66 0.82 -3.34 2.92 2.07 -1.90 -2.94 116.25 119.54 1o7b h VAL 62 Ca -0.05 -2.59 -0.72 0.00 0.82 0.00 0.00 66.70 64.16 1o7b h VAL 62 Cb 1.05 2.50 -0.30 0.00 -1.52 0.00 0.00 31.29 33.03 1o7b h VAL 62 CO 1.04 0.69 -0.42 -0.75 0.02 0.00 0.00 177.57 178.15 1o7b s LYS 63 N -2.59 2.44 0.67 1.57 2.20 -1.26 -4.96 119.74 117.81 1o7b s LYS 63 Ca -0.12 -1.73 -0.17 0.00 -0.36 0.00 0.00 55.97 53.59 1o7b s LYS 63 Cb 0.07 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1o7b s LYS 63 CO 0.81 -1.15 1.27 -1.25 -0.36 0.00 0.00 175.35 174.66 1o7b s PRO 64 N 1.35 2.46 0.00 4.03 0.04 -1.26 -4.39 135.00 137.22 1o7b s PRO 64 Ca 0.06 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1o7b s PRO 64 Cb -0.25 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1o7b s PRO 64 CO -0.01 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1o7b n GLY 65 N 0.75 1.32 3.67 0.56 0.00 -1.26 -4.70 105.19 105.54 1o7b n GLY 65 Ca 0.15 -0.92 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.49 2.10 -2.62 1.61 -0.02 -1.26 0.10 135.00 134.42 1o7b n PRO 66 Ca 0.00 0.75 -0.22 0.00 -2.02 0.00 0.00 63.50 62.01 1o7b n PRO 66 Cb 0.00 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.04 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 2.53 -6.03 0.00 2.55 5.15 -1.26 -4.70 115.26 113.50 1o7b n ASN 67 Ca 0.13 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1o7b n ASN 67 Cb 0.31 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.59 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o7b s GLY 69 N -0.74 0.25 0.00 0.00 0.00 0.12 -4.79 107.32 102.15 1o7b s GLY 69 Ca 0.00 0.58 0.10 0.00 0.00 0.00 0.00 44.72 45.41 1o7b s GLY 69 CO 0.00 3.90 1.38 0.33 0.00 0.00 0.00 173.10 178.71 1o7b n PHE 70 N 12.84 0.03 0.00 1.90 7.35 -1.26 -4.42 117.46 133.90 1o7b n PHE 70 Ca 0.32 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 1o7b n PHE 70 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 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 0.70 3.16 3.96 7.13 0.00 -1.26 -5.05 105.19 113.82 1o7b n GLY 71 Ca 0.08 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 3.18 -0.17 1.61 -0.14 -1.26 -5.08 119.74 117.88 1o7b s LYS 72 Ca 0.00 -0.56 -0.01 0.00 -1.36 0.00 0.00 55.97 54.05 1o7b s LYS 72 Cb 0.00 -2.64 -0.01 0.00 -1.68 0.00 0.00 37.83 33.51 1o7b s LYS 72 CO 0.00 -0.09 -0.12 0.95 -0.76 0.00 0.00 175.35 175.32 1o7b s THR 73 N -2.42 2.90 0.00 2.17 -4.23 -1.26 -4.84 115.64 107.97 1o7b s THR 73 Ca 0.45 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1o7b s THR 73 Cb -0.10 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1o7b s THR 73 CO 0.36 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.55 1o7b n GLY 74 N 4.13 2.28 3.65 3.99 0.00 -1.11 -4.99 105.19 113.14 1o7b n GLY 74 Ca -0.19 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 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 0.66 -3.08 -0.61 5.41 -1.26 -2.14 119.36 116.39 1o7b n ILE 75 Ca 0.00 -0.18 -0.45 0.00 1.00 0.00 0.00 62.75 63.13 1o7b n ILE 75 Cb 0.00 -2.22 -0.01 0.00 -0.71 0.00 0.00 39.64 36.69 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 4.95 5.20 -0.21 1.39 1.01 -0.85 -4.84 121.20 127.85 1o7b s ILE 76 Ca 0.92 -2.39 0.01 0.00 0.00 0.00 0.00 60.65 59.19 1o7b s ILE 76 Cb -0.50 -4.73 0.03 0.00 0.01 0.00 0.00 42.46 37.27 1o7b s ILE 76 CO 0.44 -1.40 -0.16 -0.62 0.00 0.00 0.00 174.94 173.20 1o7b s ASP 77 N 2.72 3.62 0.00 3.58 -1.08 -1.26 -1.71 116.67 122.54 1o7b s ASP 77 Ca 0.33 -0.84 0.19 0.00 -0.52 0.00 0.00 52.55 51.71 1o7b s ASP 77 Cb -0.06 -1.53 0.59 0.00 -1.46 0.00 0.00 42.92 40.47 1o7b s ASP 77 CO -0.06 -0.06 1.46 0.00 0.52 0.00 0.00 175.17 177.03 1o7b n TYR 78 N 4.59 0.35 -0.17 -5.34 4.19 -1.26 -5.05 117.16 114.48 1o7b n TYR 78 Ca -0.19 -0.18 0.02 0.00 3.31 0.00 0.00 57.90 60.87 1o7b n TYR 78 Cb 0.48 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.30 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1o7b n GLY 79 N 1.20 -2.10 3.54 2.98 0.00 -1.26 -4.86 105.19 104.70 1o7b n GLY 79 Ca 0.16 -1.45 -0.50 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.66 0.97 -0.74 -0.61 2.08 -1.26 -4.73 119.36 112.40 1o7b n ILE 80 Ca -0.01 -0.24 -0.11 0.00 0.56 0.00 0.00 62.75 62.95 1o7b n ILE 80 Cb 0.08 -0.60 0.21 0.00 -0.75 0.00 0.00 39.64 38.57 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 1.56 2.75 -1.28 0.38 5.12 -1.26 -4.86 116.66 119.07 1o7b n ARG 81 Ca 0.16 -2.51 -0.12 0.00 -1.93 0.00 0.00 57.85 53.45 1o7b n ARG 81 Cb 0.22 -2.02 -0.05 0.00 -1.16 0.00 0.00 32.46 29.45 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 -0.40 -0.70 -3.15 0.55 -0.00 -1.26 -4.84 117.00 107.20 1o7b n LEU 82 Ca 0.41 0.29 0.05 0.00 -0.00 0.00 0.00 56.01 56.75 1o7b n LEU 82 Cb 1.33 -2.13 -0.01 0.00 -0.00 0.00 0.00 43.42 42.61 1o7b n LEU 82 CO 0.42 -0.76 0.34 0.21 -0.00 0.00 0.00 177.39 177.60 1o7b s ASN 83 N -2.08 -1.00 -0.03 1.96 2.47 -1.26 -5.01 114.94 109.98 1o7b s ASN 83 Ca 0.00 0.56 0.01 0.00 0.42 0.00 0.00 52.86 53.85 1o7b s ASN 83 Cb 0.00 1.81 0.06 0.00 -1.45 0.00 0.00 41.25 41.67 1o7b s ASN 83 CO 0.00 -0.19 0.87 -2.11 -3.72 0.00 0.00 177.10 171.95 1o7b n ARG 84 N 5.43 1.20 -0.38 0.43 0.00 -1.26 -3.56 116.66 118.52 1o7b n ARG 84 Ca -0.02 -0.25 0.10 0.00 -0.00 0.00 0.00 57.85 57.67 1o7b n ARG 84 Cb 0.53 -1.30 0.28 0.00 -0.00 0.00 0.00 32.46 31.97 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 0.23 3.87 -3.87 2.89 2.88 -1.26 -2.30 113.62 116.05 1o7b n SER 85 Ca 0.04 -2.14 -0.30 0.00 -1.33 0.00 0.00 58.87 55.14 1o7b n SER 85 Cb 0.48 -0.44 0.26 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.26 -1.88 -0.43 -1.46 0.41 -1.23 -4.89 118.70 107.95 1o7b s GLU 86 Ca 0.42 0.28 -0.00 0.00 -0.41 0.00 0.00 54.97 55.26 1o7b s GLU 86 Cb 0.24 -1.49 0.12 0.00 -1.78 0.00 0.00 34.13 31.22 1o7b s GLU 86 CO 0.26 -4.22 0.20 1.03 -0.49 0.00 0.00 175.26 172.04 1o7b s ARG 87 N -4.99 1.94 0.00 1.61 0.52 -1.25 -4.06 118.95 112.72 1o7b s ARG 87 Ca 0.69 -2.02 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1o7b s ARG 87 Cb -0.16 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 31.83 1o7b s ARG 87 CO 0.59 -1.06 0.00 0.91 0.02 0.00 0.00 175.30 175.77 1o7b n TRP 88 N 4.19 0.00 -0.23 -0.53 5.03 -0.94 -4.25 117.44 120.71 1o7b n TRP 88 Ca 0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.55 1o7b n TRP 88 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.68 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 -3.63 -0.99 9.92 0.25 -1.38 116.55 120.73 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 -0.04 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 -2.60 -2.09 -1.22 2.24 0.00 -0.12 -2.55 121.76 115.42 1o7b s ALA 90 Ca 0.00 2.33 -0.11 0.00 0.00 0.00 0.00 51.96 54.19 1o7b s ALA 90 Cb 0.00 -1.76 0.19 0.00 0.00 0.00 0.00 23.12 21.55 1o7b s ALA 90 CO 0.00 -0.86 1.61 0.66 0.00 0.00 0.00 175.76 177.17 1o7b n TYR 91 N 5.24 3.89 -0.50 0.00 4.01 -1.24 -0.42 117.16 128.14 1o7b n TYR 91 Ca -0.13 -3.09 -0.29 0.00 -0.16 0.00 0.00 57.90 54.23 1o7b n TYR 91 Cb 0.51 -1.97 0.23 0.00 -0.31 0.00 0.00 39.34 37.80 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 -2.27 -0.95 -0.30 0.00 6.14 0.53 -0.04 117.35 120.46 1o7b s TYR 93 Ca 0.62 1.99 -0.15 0.00 0.64 0.00 0.00 57.07 60.17 1o7b s TYR 93 Cb -0.18 0.52 0.17 0.00 0.42 0.00 0.00 41.96 42.89 1o7b s TYR 93 CO 0.62 -0.47 1.00 1.21 0.64 0.00 0.00 175.55 178.55 1o7b s ASN 94 N 1.27 -0.57 0.00 4.32 2.47 -0.73 -1.93 114.94 119.77 1o7b s ASN 94 Ca -0.07 0.77 0.02 0.00 0.42 0.00 0.00 52.86 54.01 1o7b s ASN 94 Cb -0.05 1.64 0.11 0.00 -1.45 0.00 0.00 41.25 41.51 1o7b s ASN 94 CO -0.14 -0.11 0.90 -0.81 -3.72 0.00 0.00 177.10 173.22 1o7b n PRO 95 N 4.97 0.03 0.00 0.43 -0.04 -1.26 -2.49 135.00 136.64 1o7b n PRO 95 Ca -0.09 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1o7b n PRO 95 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.30 0.00 -3.79 0.54 8.25 -1.26 -4.75 115.22 112.91 1o7b n HIS 96 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 1o7b n HIS 96 Cb 0.02 0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.39 -1.79 0.78 -1.41 0.00 -1.20 -5.09 120.51 109.40 1o7b n ALA 97 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.22 1o7b n ALA 97 Cb 0.21 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67