#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 4.96 0.19 1.61 0.11 -1.26 -2.21 120.40 123.80 1o7b s VAL 2 Ca 0.00 1.48 0.09 0.00 -2.93 0.00 0.00 61.98 60.63 1o7b s VAL 2 Cb 0.00 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1o7b s VAL 2 CO 0.00 0.12 -0.19 -0.72 -3.33 0.00 0.00 175.10 170.98 1o7b s TYR 3 N 1.65 1.95 -0.19 1.54 1.13 0.18 -4.91 117.35 118.70 1o7b s TYR 3 Ca 0.36 -0.44 -0.05 0.00 -1.41 0.00 0.00 57.07 55.53 1o7b s TYR 3 Cb -0.17 -0.95 -0.03 0.00 -1.10 0.00 0.00 41.96 39.72 1o7b s TYR 3 CO 0.14 0.41 0.00 -1.58 -2.51 0.00 0.00 175.55 172.01 1o7b s HIS 4 N -2.14 3.07 0.20 -3.49 2.46 -1.26 0.36 115.29 114.49 1o7b s HIS 4 Ca 0.19 -0.33 0.05 0.00 0.47 0.00 0.00 55.06 55.44 1o7b s HIS 4 Cb -0.05 -2.06 -0.05 0.00 -0.13 0.00 0.00 32.58 30.29 1o7b s HIS 4 CO 0.08 -0.13 -0.07 1.03 -2.47 0.00 0.00 174.74 173.18 1o7b s ARG 5 N 0.76 1.25 0.00 2.88 1.81 0.89 -4.94 118.95 121.60 1o7b s ARG 5 Ca 0.00 -1.58 0.00 0.00 -1.72 0.00 0.00 55.73 52.43 1o7b s ARG 5 Cb -0.14 -0.77 0.00 0.00 -0.45 0.00 0.00 34.95 33.59 1o7b s ARG 5 CO 0.02 0.04 0.00 -0.85 -0.68 0.00 0.00 175.30 173.83 1o7b n GLU 6 N -0.34 2.09 -2.79 3.54 0.00 -1.26 -1.27 120.64 120.60 1o7b n GLU 6 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.77 1o7b n GLU 6 Cb 0.62 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 3.23 -0.24 -1.84 0.00 -0.79 -4.93 121.76 115.19 1o7b s ALA 7 Ca 0.00 0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.25 1o7b s ALA 7 Cb 0.00 -2.88 1.19 0.00 0.00 0.00 0.00 23.12 21.43 1o7b s ALA 7 CO 0.00 0.03 1.79 0.00 0.00 0.00 0.00 175.76 177.58 1o7b h ARG 8 N 1.48 0.00 0.00 0.00 3.08 -2.00 -1.87 114.38 115.07 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 0.63 0.00 -1.42 -1.13 -1.07 0.00 0.00 179.97 176.99 1o7b n SER 9 N -2.44 0.45 0.00 7.04 3.41 -1.26 -5.06 113.62 115.75 1o7b n SER 9 Ca 0.01 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1o7b n SER 9 Cb 0.19 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 1o7b n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o7b n GLY 10 N 1.29 1.13 3.72 5.00 0.00 -0.70 -5.13 105.19 110.51 1o7b n GLY 10 Ca -0.01 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1o7b n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7b n LYS 11 N -1.17 1.54 0.00 1.61 3.00 -1.26 -1.88 118.16 120.00 1o7b n LYS 11 Ca 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 1o7b n LYS 11 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 32.53 1o7b n LYS 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1o7b n TYR 12 N -1.16 -0.11 -1.06 5.64 4.01 -1.25 -4.80 117.16 118.42 1o7b n TYR 12 Ca 0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.83 1o7b n TYR 12 Cb 0.45 0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.00 -1.16 -3.82 -0.72 5.02 -1.19 -4.08 118.16 112.20 1o7b n LYS 13 Ca 0.00 0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 56.40 1o7b n LYS 13 Cb 0.00 -4.35 -0.04 0.00 -0.02 0.00 0.00 35.03 30.62 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7b s LEU 14 N -0.49 4.31 0.00 -0.35 1.43 -0.46 -4.77 118.68 118.36 1o7b s LEU 14 Ca 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1o7b s LEU 14 Cb 0.00 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.13 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 0.06 0.00 -0.05 5.49 -2.24 -1.26 -1.86 114.28 114.42 1o7b n THR 15 Ca -0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1o7b n THR 15 Cb 0.52 -0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.06 4.78 3.20 -1.88 -2.49 116.97 120.53 1o7b h TYR 16 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 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 0.00 -0.02 0.00 -1.64 0.00 0.00 178.16 176.50 1o7b h ALA 17 N -1.15 1.86 0.17 1.82 0.00 -1.98 -2.07 119.26 117.91 1o7b h ALA 17 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1o7b h ALA 17 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1o7b h ALA 17 CO 0.00 0.11 -0.08 0.93 0.00 0.00 0.00 179.25 180.20 1o7b h GLU 18 N 0.08 -0.22 -0.99 0.00 5.08 -1.95 -2.78 114.58 113.79 1o7b h GLU 18 Ca 0.02 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.62 1o7b h GLU 18 Cb 0.09 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.30 1o7b h GLU 18 CO 0.00 0.19 0.62 0.00 -1.00 0.00 0.00 179.01 178.83 1o7b h ALA 19 N -0.33 1.96 0.20 3.43 0.00 -1.23 0.14 119.26 123.43 1o7b h ALA 19 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1o7b h ALA 19 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1o7b h ALA 19 CO 0.04 -0.34 -0.09 -0.22 0.00 0.00 0.00 179.25 178.64 1o7b h LYS 20 N 0.56 -0.25 -0.70 0.00 3.64 -1.40 -2.28 116.57 116.14 1o7b h LYS 20 Ca 0.57 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1o7b h LYS 20 Cb 1.17 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1o7b h LYS 20 CO -0.32 -0.01 0.45 0.00 -2.27 0.00 0.00 179.45 177.30 1o7b h ALA 21 N 0.28 0.90 -0.95 5.00 0.00 -0.91 -0.99 119.26 122.58 1o7b h ALA 21 Ca -0.03 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1o7b h ALA 21 Cb 0.36 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1o7b h ALA 21 CO 0.04 0.34 0.60 0.28 0.00 0.00 0.00 179.25 180.52 1o7b h VAL 22 N 0.96 0.92 0.49 0.00 2.07 -0.71 0.83 116.25 120.82 1o7b h VAL 22 Ca 0.26 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1o7b h VAL 22 Cb -0.07 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.64 1o7b h VAL 22 CO -0.05 0.17 -0.24 0.00 0.02 0.00 0.00 177.57 177.47 1o7b h GLU 24 N -1.11 0.00 0.03 0.00 4.81 0.29 0.33 114.58 118.93 1o7b h GLU 24 Ca -0.07 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.87 1o7b h GLU 24 Cb 0.51 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1o7b h GLU 24 CO 0.11 0.00 -1.64 0.35 -0.73 0.00 0.00 179.01 177.11 1o7b h PHE 25 N 0.00 0.10 -0.45 0.92 3.57 -0.72 -3.33 116.94 117.02 1o7b h PHE 25 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1o7b h PHE 25 Cb 0.46 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1o7b h PHE 25 CO 0.00 1.13 0.00 0.39 -2.23 0.00 0.00 178.31 177.60 1o7b n GLU 26 N -3.17 2.69 -1.45 1.11 1.02 0.11 -4.92 120.64 116.03 1o7b n GLU 26 Ca -0.16 -1.89 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 1o7b n GLU 26 Cb 1.04 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.96 0.37 0.00 0.62 0.00 -0.91 -5.00 105.19 101.22 1o7b n GLY 27 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.23 -1.17 3.54 -0.02 0.00 -0.96 -4.33 105.19 101.03 1o7b n GLY 28 Ca 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 0.49 -0.32 1.61 -3.43 -0.53 -0.88 115.29 109.22 1o7b s HIS 29 Ca 0.00 -0.83 -0.28 0.00 -0.80 0.00 0.00 55.06 53.15 1o7b s HIS 29 Cb 0.00 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 1o7b s HIS 29 CO 0.00 -0.97 2.03 -0.51 -2.00 0.00 0.00 174.74 173.29 1o7b s LEU 30 N -3.05 3.45 0.00 5.38 1.43 -1.26 0.19 118.68 124.83 1o7b s LEU 30 Ca 0.25 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1o7b s LEU 30 Cb 0.00 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1o7b s LEU 30 CO 0.10 -1.98 0.00 0.00 0.23 0.00 0.00 176.35 174.70 1o7b n ALA 31 N 11.62 0.00 -2.38 4.21 0.00 -0.35 -4.41 120.51 129.20 1o7b n ALA 31 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 1o7b n ALA 31 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.51 1.00 0.11 0.00 -4.23 -1.26 -2.43 115.64 108.31 1o7b s THR 32 Ca 0.00 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 1o7b s THR 32 Cb 0.00 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 1o7b s THR 32 CO 0.00 -0.10 1.71 0.22 -0.54 0.00 0.00 174.62 175.91 1o7b h TYR 33 N 2.29 -0.16 -0.40 3.99 3.20 -1.97 -0.30 116.97 123.62 1o7b h TYR 33 Ca -0.39 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.53 1o7b h TYR 33 Cb 1.24 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.54 1o7b h TYR 33 CO 0.55 -0.10 0.13 -0.22 -1.64 0.00 0.00 178.16 176.88 1o7b h LYS 34 N -0.10 0.28 -0.72 1.82 3.64 -2.00 -0.82 116.57 118.67 1o7b h LYS 34 Ca 0.04 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1o7b h LYS 34 Cb 0.15 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1o7b h LYS 34 CO -0.09 0.18 0.48 1.96 -2.27 0.00 0.00 179.45 179.71 1o7b h GLN 35 N 0.29 0.86 0.00 1.90 4.20 -1.89 0.41 115.11 120.87 1o7b h GLN 35 Ca 0.19 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1o7b h GLN 35 Cb 0.18 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1o7b h GLN 35 CO -0.20 0.57 -0.25 1.25 -0.67 0.00 0.00 178.83 179.53 1o7b h LEU 36 N 0.88 0.00 0.61 1.46 7.12 0.31 -2.37 115.31 123.33 1o7b h LEU 36 Ca 0.29 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.27 1o7b h LEU 36 Cb 0.05 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.18 1o7b h LEU 36 CO -0.08 0.25 -0.29 -0.08 -0.13 0.00 0.00 178.44 178.11 1o7b h GLU 37 N 0.00 -0.79 -0.71 1.25 4.57 0.06 -1.38 114.58 117.58 1o7b h GLU 37 Ca -0.00 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.43 1o7b h GLU 37 Cb 0.45 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1o7b h GLU 37 CO 0.03 -0.47 0.51 0.00 -1.18 0.00 0.00 179.01 177.89 1o7b h ALA 38 N -0.72 2.55 -0.01 2.92 0.00 -1.31 0.71 119.26 123.41 1o7b h ALA 38 Ca -0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1o7b h ALA 38 Cb 0.67 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1o7b h ALA 38 CO 0.14 -0.76 -0.56 0.00 0.00 0.00 0.00 179.25 178.07 1o7b h ALA 39 N 1.65 1.05 -0.16 0.00 0.00 -1.02 -2.92 119.26 117.86 1o7b h ALA 39 Ca 0.34 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1o7b h ALA 39 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1o7b h ALA 39 CO -0.03 0.70 -0.51 -0.09 0.00 0.00 0.00 179.25 179.31 1o7b h ARG 40 N 0.03 0.45 -0.08 0.00 2.43 0.15 -1.76 114.38 115.60 1o7b h ARG 40 Ca -0.00 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1o7b h ARG 40 Cb 1.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1o7b h ARG 40 CO 0.07 0.86 0.13 0.87 -1.51 0.00 0.00 179.97 180.40 1o7b h LYS 41 N 0.35 0.00 0.00 0.20 1.57 -1.18 0.12 116.57 117.63 1o7b h LYS 41 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1o7b h LYS 41 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1o7b h LYS 41 CO 0.09 0.00 -1.21 0.44 -0.57 0.00 0.00 179.45 178.21 1o7b n ILE 42 N -3.50 0.16 0.00 1.86 -6.64 -1.08 -4.97 119.36 105.19 1o7b n ILE 42 Ca -0.01 -0.29 0.00 0.00 -1.77 0.00 0.00 62.75 60.68 1o7b n ILE 42 Cb 0.22 0.21 0.00 0.00 -1.44 0.00 0.00 39.64 38.63 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 1.35 0.92 3.46 3.28 0.00 0.43 -5.04 105.19 109.58 1o7b n GLY 43 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.70 3.49 -0.16 1.61 5.36 -0.68 -4.98 117.98 120.91 1o7b s PHE 44 Ca 0.00 -2.09 -0.05 0.00 -0.96 0.00 0.00 56.93 53.83 1o7b s PHE 44 Cb 0.00 -4.30 -0.03 0.00 -0.34 0.00 0.00 43.02 38.34 1o7b s PHE 44 CO 0.00 -1.40 0.01 -1.58 -1.46 0.00 0.00 175.22 170.79 1o7b s HIS 45 N 1.61 3.14 -0.29 10.12 5.65 -1.26 -4.62 115.29 129.64 1o7b s HIS 45 Ca 0.42 -0.08 -0.13 0.00 0.25 0.00 0.00 55.06 55.53 1o7b s HIS 45 Cb -0.03 -1.98 0.12 0.00 -1.18 0.00 0.00 32.58 29.50 1o7b s HIS 45 CO -0.01 0.12 0.71 0.54 -0.65 0.00 0.00 174.74 175.44 1o7b s VAL 46 N 0.18 -0.60 -1.64 0.89 0.11 -0.81 -4.95 120.40 113.58 1o7b s VAL 46 Ca 0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1o7b s VAL 46 Cb -0.13 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1o7b s VAL 46 CO 0.02 0.00 0.48 0.00 -3.33 0.00 0.00 175.10 172.27 1o7b s ALA 48 N -1.64 3.24 -0.12 0.00 0.00 -1.26 -4.89 121.76 117.09 1o7b s ALA 48 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 1o7b s ALA 48 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1o7b s ALA 48 CO 0.00 -0.54 1.51 0.00 0.00 0.00 0.00 175.76 176.73 1o7b s ALA 49 N 1.64 3.58 -0.29 0.00 0.00 -1.24 -4.53 121.76 120.92 1o7b s ALA 49 Ca 0.06 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 1o7b s ALA 49 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1o7b s ALA 49 CO 0.05 -1.41 0.44 0.20 0.00 0.00 0.00 175.76 175.05 1o7b s GLY 50 N 2.99 1.86 -0.03 0.00 0.00 -0.79 -0.22 107.32 111.14 1o7b s GLY 50 Ca 0.66 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 1o7b s GLY 50 CO 0.24 1.12 2.01 0.79 0.00 0.00 0.00 173.10 177.26 1o7b n TRP 51 N 5.49 2.39 -4.21 1.90 7.02 -1.05 -4.20 117.44 124.77 1o7b n TRP 51 Ca -0.06 -0.28 -0.17 0.00 -1.02 0.00 0.00 57.50 55.96 1o7b n TRP 51 Cb 0.50 -2.77 -0.06 0.00 -2.42 0.00 0.00 31.31 26.56 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 7.63 0.47 0.00 -0.99 0.00 -0.38 -3.82 117.12 120.03 1o7b n MET 52 Ca 0.22 -3.06 0.00 0.00 0.00 0.00 0.00 57.70 54.86 1o7b n MET 52 Cb 0.40 2.62 0.00 0.00 0.00 0.00 0.00 33.22 36.23 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 -0.80 0.00 0.00 3.17 0.00 -1.02 0.61 120.51 122.47 1o7b n ALA 53 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1o7b n ALA 53 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1o7b n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7b n LYS 54 N -0.17 0.00 0.00 0.00 5.02 -1.26 -4.26 118.16 117.49 1o7b n LYS 54 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1o7b n LYS 54 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o7b n GLY 55 N -1.26 0.00 3.73 0.72 0.00 -0.13 -5.09 105.19 103.16 1o7b n GLY 55 Ca 0.00 0.00 -0.40 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 4.46 0.00 1.61 3.52 0.20 -4.55 118.95 124.19 1o7b s ARG 56 Ca 0.00 0.99 0.07 0.00 -0.13 0.00 0.00 55.73 56.66 1o7b s ARG 56 Cb 0.00 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1o7b s ARG 56 CO 0.00 0.18 -0.21 0.14 -0.81 0.00 0.00 175.30 174.60 1o7b s VAL 57 N 0.36 2.56 0.06 7.11 -7.23 -1.26 -1.25 120.40 120.75 1o7b s VAL 57 Ca 0.39 -1.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.20 1o7b s VAL 57 Cb -0.19 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 34.84 1o7b s VAL 57 CO 0.21 0.47 0.84 -0.83 -0.31 0.00 0.00 175.10 175.48 1o7b s GLY 58 N -1.01 -0.44 -0.25 2.32 0.00 -1.26 -3.60 107.32 103.08 1o7b s GLY 58 Ca 0.12 0.73 -0.04 0.00 0.00 0.00 0.00 44.72 45.53 1o7b s GLY 58 CO 0.02 0.24 0.12 -2.52 0.00 0.00 0.00 173.10 170.95 1o7b s TYR 59 N -3.29 0.26 -0.51 1.90 1.13 -0.11 -1.88 117.35 114.85 1o7b s TYR 59 Ca 0.06 -0.65 -0.27 0.00 -1.41 0.00 0.00 57.07 54.79 1o7b s TYR 59 Cb -0.01 -0.81 -0.03 0.00 -1.10 0.00 0.00 41.96 40.01 1o7b s TYR 59 CO -0.07 -0.71 1.94 -1.25 -2.51 0.00 0.00 175.55 172.94 1o7b s PRO 60 N 2.12 2.75 -0.70 -3.49 0.04 -1.24 -1.57 135.00 132.92 1o7b s PRO 60 Ca 0.06 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 1o7b s PRO 60 Cb -0.16 -4.37 0.13 0.00 0.04 0.00 0.00 34.50 30.14 1o7b s PRO 60 CO -0.26 -2.57 0.79 0.42 0.04 0.00 0.00 177.00 175.42 1o7b s ILE 61 N 8.96 4.96 -0.10 0.56 -1.09 -0.83 -1.92 121.20 131.73 1o7b s ILE 61 Ca 0.76 -1.39 0.15 0.00 -2.23 0.00 0.00 60.65 57.95 1o7b s ILE 61 Cb -0.16 -4.54 -0.23 0.00 -1.58 0.00 0.00 42.46 35.95 1o7b s ILE 61 CO 0.25 -1.17 0.49 0.52 -1.23 0.00 0.00 174.94 173.80 1o7b n VAL 62 N 5.23 1.42 -3.68 2.92 0.31 -1.26 -2.65 118.33 120.63 1o7b n VAL 62 Ca 0.01 -0.79 -0.35 0.00 -0.01 0.00 0.00 64.34 63.19 1o7b n VAL 62 Cb 0.44 -0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.65 3.04 0.94 5.55 2.36 -1.26 -4.98 119.74 122.74 1o7b s LYS 63 Ca -0.06 -3.11 -0.11 0.00 -2.55 0.00 0.00 55.97 50.13 1o7b s LYS 63 Cb 0.08 -3.86 0.15 0.00 -1.05 0.00 0.00 37.83 33.15 1o7b s LYS 63 CO 0.83 -1.25 1.09 -1.25 1.55 0.00 0.00 175.35 176.32 1o7b s PRO 64 N -1.06 0.92 0.00 4.03 0.04 -1.26 -4.75 135.00 132.92 1o7b s PRO 64 Ca 0.25 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1o7b s PRO 64 Cb -0.10 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1o7b s PRO 64 CO -0.11 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1o7b n GLY 65 N -0.56 -1.55 0.00 0.56 0.00 -1.26 -4.83 105.19 97.54 1o7b n GLY 65 Ca 0.07 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 3.24 0.25 1.61 -0.04 -1.26 -4.43 135.00 134.37 1o7b n PRO 66 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1o7b n PRO 66 Cb 0.00 0.00 0.75 0.00 -0.04 0.00 0.00 33.50 34.21 1o7b n PRO 66 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1o7b h ASN 67 N 0.00 0.00 0.69 3.54 -1.24 -2.02 -1.65 115.58 114.90 1o7b h ASN 67 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1o7b h ASN 67 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1o7b h ASN 67 CO 0.00 0.00 -0.33 0.00 -1.29 0.00 0.00 177.43 175.81 1o7b n GLY 69 N -1.11 0.53 0.01 0.00 0.00 -0.62 -4.79 105.19 99.22 1o7b n GLY 69 Ca -0.13 0.93 0.11 0.00 0.00 0.00 0.00 46.02 46.93 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 9.57 0.12 0.00 1.61 3.01 -1.26 -4.80 117.46 125.71 1o7b n PHE 70 Ca 0.40 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.90 1o7b n PHE 70 Cb 0.23 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 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 1.44 3.27 3.99 1.37 0.00 -1.26 -5.10 105.19 108.90 1o7b n GLY 71 Ca 0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 2.97 -0.17 1.61 1.02 -1.26 -5.11 119.74 118.80 1o7b s LYS 72 Ca 0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1o7b s LYS 72 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1o7b s LYS 72 CO 0.00 -0.15 -0.08 0.95 -0.92 0.00 0.00 175.35 175.15 1o7b s THR 73 N -2.32 3.35 0.00 2.17 -4.23 -1.26 -4.85 115.64 108.49 1o7b s THR 73 Ca 0.50 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1o7b s THR 73 Cb -0.10 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1o7b s THR 73 CO 0.33 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 1o7b n GLY 74 N 4.00 1.73 3.64 3.99 0.00 -1.08 -4.97 105.19 112.49 1o7b n GLY 74 Ca -0.18 -1.85 -0.46 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.96 0.54 -3.18 -0.61 5.41 -1.26 -1.97 119.36 116.32 1o7b n ILE 75 Ca 0.00 -0.20 -0.45 0.00 1.00 0.00 0.00 62.75 63.10 1o7b n ILE 75 Cb 0.00 -2.07 -0.01 0.00 -0.71 0.00 0.00 39.64 36.84 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 5.33 5.40 -0.06 1.39 1.01 -0.61 -4.81 121.20 128.85 1o7b s ILE 76 Ca 0.95 -2.47 0.04 0.00 0.00 0.00 0.00 60.65 59.17 1o7b s ILE 76 Cb -0.59 -4.64 -0.00 0.00 0.01 0.00 0.00 42.46 37.24 1o7b s ILE 76 CO 0.46 -1.26 -0.18 -0.62 0.00 0.00 0.00 174.94 173.34 1o7b s ASP 77 N 2.44 2.36 -0.30 3.58 2.15 -1.26 -0.94 116.67 124.70 1o7b s ASP 77 Ca 0.28 -0.40 0.09 0.00 0.43 0.00 0.00 52.55 52.95 1o7b s ASP 77 Cb -0.08 -0.81 0.55 0.00 -0.30 0.00 0.00 42.92 42.28 1o7b s ASP 77 CO -0.08 0.14 1.56 -1.22 -0.17 0.00 0.00 175.17 175.40 1o7b n TYR 78 N 3.31 1.49 -1.37 -5.34 4.01 -1.24 -5.01 117.16 113.02 1o7b n TYR 78 Ca -0.19 -1.50 0.19 0.00 -0.16 0.00 0.00 57.90 56.24 1o7b n TYR 78 Cb 0.53 -0.55 -0.05 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.97 -1.81 3.65 2.72 0.00 -1.26 -4.65 105.19 102.88 1o7b n GLY 79 Ca 0.36 -1.07 -0.53 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.05 0.15 1.32 -0.61 2.08 -1.26 -4.59 119.36 112.40 1o7b n ILE 80 Ca 0.01 -0.03 0.03 0.00 0.56 0.00 0.00 62.75 63.32 1o7b n ILE 80 Cb 0.66 -1.11 0.09 0.00 -0.75 0.00 0.00 39.64 38.54 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 3.90 1.50 -2.62 0.38 5.12 -1.26 -4.87 116.66 118.80 1o7b n ARG 81 Ca 0.21 -0.77 -0.20 0.00 -1.93 0.00 0.00 57.85 55.16 1o7b n ARG 81 Cb 0.19 -1.17 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 0.13 -2.04 -3.17 0.55 7.99 -1.26 -4.93 117.00 114.27 1o7b n LEU 82 Ca 0.07 -0.08 0.02 0.00 -0.01 0.00 0.00 56.01 56.01 1o7b n LEU 82 Cb 0.18 -2.83 -0.01 0.00 -0.11 0.00 0.00 43.42 40.66 1o7b n LEU 82 CO 0.05 -0.07 0.12 0.21 -1.51 0.00 0.00 177.39 176.19 1o7b s ASN 83 N -2.26 -1.51 0.00 -1.43 2.47 -1.26 -5.00 114.94 105.95 1o7b s ASN 83 Ca 0.10 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.04 1o7b s ASN 83 Cb -0.05 1.93 0.00 0.00 -1.45 0.00 0.00 41.25 41.68 1o7b s ASN 83 CO 0.12 -0.22 0.45 0.54 -3.72 0.00 0.00 177.10 174.28 1o7b n ARG 84 N 4.83 0.50 -0.02 0.43 3.00 -1.26 -2.43 116.66 121.71 1o7b n ARG 84 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.94 1o7b n ARG 84 Cb 0.56 -1.25 0.03 0.00 0.00 0.00 0.00 32.46 31.80 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 0.64 1.61 -4.56 0.55 7.64 -1.26 -3.60 113.62 114.64 1o7b n SER 85 Ca 0.00 -1.40 -0.29 0.00 1.01 0.00 0.00 58.87 58.19 1o7b n SER 85 Cb 0.22 -0.02 0.22 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.52 -0.23 -0.32 1.43 0.41 -1.02 -4.89 118.70 113.55 1o7b s GLU 86 Ca 0.06 1.07 -0.07 0.00 -0.41 0.00 0.00 54.97 55.62 1o7b s GLU 86 Cb 0.04 -1.62 0.03 0.00 -1.78 0.00 0.00 34.13 30.80 1o7b s GLU 86 CO 0.05 -3.33 0.10 -0.98 -0.49 0.00 0.00 175.26 170.61 1o7b s ARG 87 N -4.54 2.80 0.00 1.61 1.70 -1.25 -3.98 118.95 115.29 1o7b s ARG 87 Ca 0.68 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1o7b s ARG 87 Cb -0.24 -3.43 0.00 0.00 -0.57 0.00 0.00 34.95 30.71 1o7b s ARG 87 CO 0.62 -0.58 0.00 0.91 -1.08 0.00 0.00 175.30 175.17 1o7b n TRP 88 N 4.84 -0.34 0.00 5.89 5.03 -0.78 -4.36 117.44 127.72 1o7b n TRP 88 Ca -0.13 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.40 1o7b n TRP 88 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.74 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 -1.10 0.00 -3.59 -0.99 9.92 0.70 -1.35 116.55 120.13 1o7b n ASP 89 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1o7b n ASP 89 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.52 -2.38 -1.22 2.24 0.00 -0.40 -2.52 121.76 114.96 1o7b s ALA 90 Ca 0.00 2.16 -0.10 0.00 0.00 0.00 0.00 51.96 54.03 1o7b s ALA 90 Cb 0.00 -1.79 0.20 0.00 0.00 0.00 0.00 23.12 21.53 1o7b s ALA 90 CO 0.00 -0.47 1.65 0.66 0.00 0.00 0.00 175.76 177.60 1o7b n TYR 91 N 3.94 3.51 -0.71 0.00 4.01 -1.25 -0.07 117.16 126.58 1o7b n TYR 91 Ca -0.17 -2.98 -0.33 0.00 -0.16 0.00 0.00 57.90 54.27 1o7b n TYR 91 Cb 0.56 -1.88 0.15 0.00 -0.31 0.00 0.00 39.34 37.86 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 -2.18 -0.82 -0.30 0.00 6.14 0.13 0.49 117.35 120.81 1o7b s TYR 93 Ca 0.51 1.60 -0.14 0.00 0.64 0.00 0.00 57.07 59.68 1o7b s TYR 93 Cb -0.07 0.49 0.16 0.00 0.42 0.00 0.00 41.96 42.96 1o7b s TYR 93 CO 0.64 -0.40 0.94 1.21 0.64 0.00 0.00 175.55 178.58 1o7b s ASN 94 N 1.64 -0.66 0.00 4.32 2.47 -0.94 -1.46 114.94 120.32 1o7b s ASN 94 Ca -0.09 0.86 0.14 0.00 0.42 0.00 0.00 52.86 54.19 1o7b s ASN 94 Cb -0.05 1.73 0.82 0.00 -1.45 0.00 0.00 41.25 42.30 1o7b s ASN 94 CO -0.17 -0.13 1.24 -0.81 -3.72 0.00 0.00 177.10 173.52 1o7b n PRO 95 N 5.07 0.45 0.00 0.43 -0.04 -1.26 -1.58 135.00 138.06 1o7b n PRO 95 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1o7b n PRO 95 Cb 0.52 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1o7b n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1o7b n HIS 96 N -0.98 0.00 -1.17 0.54 -0.00 -1.26 -4.75 115.22 107.60 1o7b n HIS 96 Ca 0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.56 1o7b n HIS 96 Cb 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.94 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o7b n ALA 97 N -0.66 7.04 1.05 1.57 0.00 -0.61 -5.10 120.51 123.79 1o7b n ALA 97 Ca 0.01 -2.76 0.12 0.00 0.00 0.00 0.00 53.44 50.81 1o7b n ALA 97 Cb 0.03 -2.90 0.14 0.00 0.00 0.00 0.00 19.45 16.72 1o7b n ALA 97 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86