#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7c s VAL 2 N 0.00 5.25 0.25 1.61 0.11 -1.26 -0.72 120.40 125.64 1o7c s VAL 2 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 1o7c s VAL 2 Cb 0.00 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.27 1o7c s VAL 2 CO 0.00 0.16 0.47 0.00 -3.33 0.00 0.00 175.10 172.40 1o7c n TYR 3 N 0.46 -1.70 -4.00 1.54 4.11 -0.13 -4.97 117.16 112.47 1o7c n TYR 3 Ca -0.06 -1.32 -0.22 0.00 -0.00 0.00 0.00 57.90 56.30 1o7c n TYR 3 Cb 0.52 0.55 -0.03 0.00 -0.00 0.00 0.00 39.34 40.38 1o7c n TYR 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1o7c s HIS 4 N -4.25 3.37 -0.05 -3.48 5.65 -1.26 -0.60 115.29 114.67 1o7c s HIS 4 Ca 0.13 -0.02 -0.20 0.00 0.25 0.00 0.00 55.06 55.22 1o7c s HIS 4 Cb -0.03 -1.54 0.04 0.00 -1.18 0.00 0.00 32.58 29.87 1o7c s HIS 4 CO 0.10 0.47 0.44 1.03 -0.65 0.00 0.00 174.74 176.12 1o7c s ARG 5 N -3.85 0.76 0.46 2.88 1.81 0.45 -4.75 118.95 116.70 1o7c s ARG 5 Ca 0.34 0.06 0.05 0.00 -1.72 0.00 0.00 55.73 54.46 1o7c s ARG 5 Cb -0.09 0.35 -0.04 0.00 -0.45 0.00 0.00 34.95 34.72 1o7c s ARG 5 CO 0.28 -0.21 0.12 -2.00 -0.68 0.00 0.00 175.30 172.82 1o7c s GLU 6 N -1.05 2.16 0.42 3.54 2.12 -1.26 -1.45 118.70 123.17 1o7c s GLU 6 Ca -0.11 -2.08 -0.09 0.00 0.36 0.00 0.00 54.97 53.05 1o7c s GLU 6 Cb -0.03 -1.80 -0.06 0.00 0.26 0.00 0.00 34.13 32.50 1o7c s GLU 6 CO 0.05 -0.23 0.77 0.00 -0.54 0.00 0.00 175.26 175.32 1o7c s ALA 7 N -2.72 3.36 0.40 6.30 0.00 -1.24 -4.95 121.76 122.91 1o7c s ALA 7 Ca 0.29 -0.28 0.38 0.00 0.00 0.00 0.00 51.96 52.36 1o7c s ALA 7 Cb 0.04 -2.68 1.86 0.00 0.00 0.00 0.00 23.12 22.34 1o7c s ALA 7 CO 0.16 -0.10 2.17 0.00 0.00 0.00 0.00 175.76 178.00 1o7c h ARG 8 N 0.99 0.00 0.00 0.00 2.47 -2.00 -2.24 114.38 113.60 1o7c h ARG 8 Ca -0.47 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 57.99 1o7c h ARG 8 Cb 1.19 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.47 1o7c h ARG 8 CO 0.63 0.02 -1.85 0.43 0.56 0.00 0.00 179.97 179.76 1o7c n SER 9 N -3.17 0.54 0.00 7.04 7.64 -1.26 -5.08 113.62 119.34 1o7c n SER 9 Ca -0.01 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1o7c n SER 9 Cb 0.19 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o7c n GLY 10 N 1.54 2.98 3.62 0.23 0.00 -0.84 -5.10 105.19 107.62 1o7c n GLY 10 Ca -0.19 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1o7c n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o7c s LYS 11 N -2.11 0.33 -1.51 1.61 2.20 -1.26 -3.54 119.74 115.46 1o7c s LYS 11 Ca 0.00 1.04 -0.10 0.00 -0.36 0.00 0.00 55.97 56.56 1o7c s LYS 11 Cb 0.00 -1.68 0.07 0.00 -1.51 0.00 0.00 37.83 34.71 1o7c s LYS 11 CO 0.00 -2.94 0.77 0.66 -0.36 0.00 0.00 175.35 173.48 1o7c n TYR 12 N -4.40 -1.97 -0.73 4.03 4.01 -1.20 -4.81 117.16 112.10 1o7c n TYR 12 Ca 0.07 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.64 1o7c n TYR 12 Cb 0.54 -3.76 0.00 0.00 -0.31 0.00 0.00 39.34 35.81 1o7c n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1o7c n LYS 13 N -4.48 0.05 -4.03 -0.72 5.02 -1.11 -4.22 118.16 108.67 1o7c n LYS 13 Ca -0.09 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 1o7c n LYS 13 Cb 0.58 -0.43 -0.07 0.00 -0.02 0.00 0.00 35.03 35.09 1o7c n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7c s LEU 14 N -0.03 4.13 0.12 -0.35 1.43 -0.43 -4.80 118.68 118.76 1o7c s LEU 14 Ca 0.00 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 1o7c s LEU 14 Cb 0.00 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1o7c s LEU 14 CO 0.00 0.39 -0.02 0.42 0.23 0.00 0.00 176.35 177.37 1o7c s THR 15 N -0.92 3.76 0.24 5.49 -4.23 -1.26 -0.95 115.64 117.77 1o7c s THR 15 Ca 0.14 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 1o7c s THR 15 Cb -0.12 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.17 1o7c s THR 15 CO 0.03 0.04 1.10 0.00 -0.54 0.00 0.00 174.62 175.25 1o7c n TYR 16 N 0.36 0.65 -0.07 3.99 9.36 -1.21 0.23 117.16 130.47 1o7c n TYR 16 Ca -0.11 0.84 -0.14 0.00 3.32 0.00 0.00 57.90 61.81 1o7c n TYR 16 Cb 0.53 -1.15 -0.06 0.00 -0.63 0.00 0.00 39.34 38.03 1o7c n TYR 16 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1o7c h ALA 17 N 1.40 0.31 -0.22 2.98 0.00 -1.95 -2.44 119.26 119.34 1o7c h ALA 17 Ca 0.52 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1o7c h ALA 17 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1o7c h ALA 17 CO -0.59 0.31 -0.12 0.93 0.00 0.00 0.00 179.25 179.78 1o7c h GLU 18 N 0.23 0.47 -0.98 0.00 5.08 0.25 -2.36 114.58 117.27 1o7c h GLU 18 Ca 0.02 -0.21 0.15 0.00 -1.00 0.00 0.00 59.36 58.32 1o7c h GLU 18 Cb 0.85 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.00 1o7c h GLU 18 CO 0.07 0.76 0.60 0.00 -1.00 0.00 0.00 179.01 179.43 1o7c h ALA 19 N 0.70 1.54 -0.18 3.43 0.00 0.92 0.67 119.26 126.33 1o7c h ALA 19 Ca 0.05 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1o7c h ALA 19 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1o7c h ALA 19 CO 0.04 0.07 -0.46 -0.22 0.00 0.00 0.00 179.25 178.67 1o7c h LYS 20 N 0.85 0.46 -0.57 0.00 3.64 -1.30 -2.63 116.57 117.01 1o7c h LYS 20 Ca 0.52 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1o7c h LYS 20 Cb 0.67 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1o7c h LYS 20 CO -0.33 0.83 0.10 0.00 -2.27 0.00 0.00 179.45 177.78 1o7c h ALA 21 N 1.13 1.09 0.02 5.00 0.00 -0.37 0.19 119.26 126.33 1o7c h ALA 21 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1o7c h ALA 21 Cb 0.96 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1o7c h ALA 21 CO 0.08 0.59 -0.01 0.28 0.00 0.00 0.00 179.25 180.20 1o7c h VAL 22 N 0.87 1.30 0.25 0.00 2.07 -1.13 0.19 116.25 119.80 1o7c h VAL 22 Ca 0.18 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1o7c h VAL 22 Cb 0.38 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1o7c h VAL 22 CO 0.01 0.25 -0.12 0.00 0.02 0.00 0.00 177.57 177.73 1o7c h GLU 24 N -0.58 0.00 -0.44 0.00 4.81 -0.20 0.29 114.58 118.46 1o7c h GLU 24 Ca -0.03 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1o7c h GLU 24 Cb 0.42 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 1o7c h GLU 24 CO 0.06 0.02 -0.09 0.35 -0.73 0.00 0.00 179.01 178.61 1o7c h PHE 25 N 0.00 -0.20 -2.00 0.92 3.57 -0.19 -2.35 116.94 116.69 1o7c h PHE 25 Ca -0.00 0.04 -0.73 0.00 3.53 0.00 0.00 57.97 60.81 1o7c h PHE 25 Cb 0.21 0.16 -0.32 0.00 2.79 0.00 0.00 35.95 38.79 1o7c h PHE 25 CO 0.00 -0.18 0.53 0.39 -2.23 0.00 0.00 178.31 176.82 1o7c n GLU 26 N -5.31 3.59 -4.00 1.11 1.02 -1.08 -4.85 120.64 111.12 1o7c n GLU 26 Ca 0.03 -4.13 -0.31 0.00 -0.02 0.00 0.00 57.16 52.73 1o7c n GLU 26 Cb 0.24 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1o7c n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7c n GLY 27 N -0.38 -0.43 3.67 0.62 0.00 -0.88 -4.96 105.19 102.82 1o7c n GLY 27 Ca 0.47 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.41 1o7c n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1o7c s GLY 28 N -3.53 2.10 -0.01 -0.02 0.00 0.99 -4.95 107.32 101.90 1o7c s GLY 28 Ca 0.55 -1.97 0.04 0.00 0.00 0.00 0.00 44.72 43.34 1o7c s GLY 28 CO 0.87 -1.88 -0.14 -2.38 0.00 0.00 0.00 173.10 169.57 1o7c s HIS 29 N -2.52 1.24 0.54 1.90 -3.43 -0.28 -2.31 115.29 110.43 1o7c s HIS 29 Ca 0.36 -0.25 -0.19 0.00 -0.80 0.00 0.00 55.06 54.19 1o7c s HIS 29 Cb 0.00 -0.80 -0.09 0.00 -1.43 0.00 0.00 32.58 30.26 1o7c s HIS 29 CO 0.20 -0.03 0.51 -0.11 -2.00 0.00 0.00 174.74 173.31 1o7c n LEU 30 N 2.80 0.53 -4.87 5.38 0.00 -1.26 0.09 117.00 119.67 1o7c n LEU 30 Ca -0.15 0.76 -0.32 0.00 0.00 0.00 0.00 56.01 56.30 1o7c n LEU 30 Cb 0.55 -1.16 -0.05 0.00 0.00 0.00 0.00 43.42 42.76 1o7c n LEU 30 CO 0.24 -3.07 0.22 0.00 0.00 0.00 0.00 177.39 174.79 1o7c s ALA 31 N -1.69 3.56 0.32 1.96 0.00 0.27 -4.55 121.76 121.64 1o7c s ALA 31 Ca 0.67 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1o7c s ALA 31 Cb -0.47 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.24 1o7c s ALA 31 CO 0.55 0.50 0.33 0.25 0.00 0.00 0.00 175.76 177.39 1o7c n THR 32 N -0.01 0.00 0.05 0.00 -2.24 -1.26 -2.58 114.28 108.24 1o7c n THR 32 Ca -0.00 -1.20 -0.02 0.00 -2.27 0.00 0.00 64.05 60.56 1o7c n THR 32 Cb 0.52 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 1o7c n THR 32 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7c h TYR 33 N 0.38 -0.12 -0.88 4.78 3.20 -1.95 0.70 116.97 123.08 1o7c h TYR 33 Ca -0.18 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 61.90 1o7c h TYR 33 Cb 0.72 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.91 1o7c h TYR 33 CO 0.00 -0.07 0.38 0.87 -1.64 0.00 0.00 178.16 177.70 1o7c h LYS 34 N -0.18 0.39 0.02 1.82 1.57 -1.98 0.52 116.57 118.73 1o7c h LYS 34 Ca -0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1o7c h LYS 34 Cb 0.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1o7c h LYS 34 CO 0.02 0.26 -0.01 1.96 -0.57 0.00 0.00 179.45 181.11 1o7c h GLN 35 N 0.41 -0.02 -0.17 3.15 4.20 -1.97 -0.16 115.11 120.55 1o7c h GLN 35 Ca 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.25 1o7c h GLN 35 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1o7c h GLN 35 CO -0.52 0.19 0.09 1.25 -0.67 0.00 0.00 178.83 179.17 1o7c h LEU 36 N -0.23 0.19 0.63 1.46 7.12 0.80 -2.11 115.31 123.18 1o7c h LEU 36 Ca -0.00 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1o7c h LEU 36 Cb 0.22 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1o7c h LEU 36 CO 0.00 0.16 -0.30 -0.08 -0.13 0.00 0.00 178.44 178.09 1o7c h GLU 37 N 0.23 -0.82 -0.31 1.25 4.81 0.41 0.14 114.58 120.29 1o7c h GLU 37 Ca 0.06 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1o7c h GLU 37 Cb 0.01 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1o7c h GLU 37 CO -0.01 -0.50 0.46 0.00 -0.73 0.00 0.00 179.01 178.23 1o7c h ALA 38 N -0.95 1.92 0.01 2.92 0.00 -0.67 0.85 119.26 123.34 1o7c h ALA 38 Ca -0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1o7c h ALA 38 Cb 0.69 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1o7c h ALA 38 CO 0.14 -0.62 -1.54 0.00 0.00 0.00 0.00 179.25 177.23 1o7c h ALA 39 N 1.37 0.64 -0.13 0.00 0.00 -1.08 -3.32 119.26 116.74 1o7c h ALA 39 Ca 0.15 -1.32 -0.13 0.00 0.00 0.00 0.00 54.91 53.60 1o7c h ALA 39 Cb 1.07 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1o7c h ALA 39 CO -0.00 1.48 -0.50 -0.09 0.00 0.00 0.00 179.25 180.14 1o7c h ARG 40 N 0.00 0.34 0.00 0.00 2.43 0.34 -1.55 114.38 115.95 1o7c h ARG 40 Ca -0.22 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1o7c h ARG 40 Cb 1.96 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1o7c h ARG 40 CO 0.10 0.77 0.00 0.87 -1.51 0.00 0.00 179.97 180.19 1o7c h LYS 41 N 0.27 0.00 0.00 0.20 1.57 -0.81 -1.95 116.57 115.85 1o7c h LYS 41 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1o7c h LYS 41 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1o7c h LYS 41 CO 0.08 0.00 -1.04 -0.84 -0.57 0.00 0.00 179.45 177.08 1o7c h ILE 42 N 0.00 0.17 0.00 1.86 3.07 -1.59 -3.47 117.51 117.56 1o7c h ILE 42 Ca 0.00 -1.33 0.00 0.00 1.55 0.00 0.00 64.86 65.08 1o7c h ILE 42 Cb 0.36 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1o7c h ILE 42 CO 0.00 0.10 0.00 0.61 -1.05 0.00 0.00 178.15 177.81 1o7c n GLY 43 N 1.24 -0.45 3.75 0.16 0.00 -0.75 -5.13 105.19 104.01 1o7c n GLY 43 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1o7c n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o7c s PHE 44 N -0.03 3.32 -0.29 1.61 2.19 -0.61 -4.96 117.98 119.20 1o7c s PHE 44 Ca 0.00 1.45 -0.13 0.00 0.33 0.00 0.00 56.93 58.58 1o7c s PHE 44 Cb 0.00 -3.50 0.11 0.00 -1.31 0.00 0.00 43.02 38.32 1o7c s PHE 44 CO 0.00 -1.38 0.70 -1.58 1.83 0.00 0.00 175.22 174.80 1o7c s HIS 45 N -0.62 -1.16 -0.26 10.12 5.65 -1.26 -4.40 115.29 123.36 1o7c s HIS 45 Ca 0.50 2.13 -0.02 0.00 0.25 0.00 0.00 55.06 57.92 1o7c s HIS 45 Cb -0.35 0.69 0.12 0.00 -1.18 0.00 0.00 32.58 31.86 1o7c s HIS 45 CO 0.43 -0.57 0.27 0.08 -0.65 0.00 0.00 174.74 174.30 1o7c s VAL 46 N 2.30 -0.39 -1.00 0.89 1.01 -1.20 -5.05 120.40 116.97 1o7c s VAL 46 Ca -0.08 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1o7c s VAL 46 Cb -0.08 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.32 1o7c s VAL 46 CO -0.19 -0.37 1.96 0.00 0.00 0.00 0.00 175.10 176.50 1o7c s ALA 48 N 5.91 -2.27 -0.13 0.00 0.00 -1.26 -5.06 121.76 118.95 1o7c s ALA 48 Ca 0.58 1.70 -0.32 0.00 0.00 0.00 0.00 51.96 53.92 1o7c s ALA 48 Cb 0.11 -1.81 -0.10 0.00 0.00 0.00 0.00 23.12 21.32 1o7c s ALA 48 CO 0.09 -0.12 2.01 0.00 0.00 0.00 0.00 175.76 177.74 1o7c n ALA 49 N 1.72 1.20 -3.54 0.00 0.00 -1.26 -4.72 120.51 113.91 1o7c n ALA 49 Ca -0.11 0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1o7c n ALA 49 Cb 0.57 -2.62 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 1o7c n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7c s GLY 50 N 5.46 1.57 0.46 0.00 0.00 -0.21 -0.14 107.32 114.46 1o7c s GLY 50 Ca 0.96 -1.14 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 1o7c s GLY 50 CO 0.47 0.32 1.13 0.79 0.00 0.00 0.00 173.10 175.80 1o7c n TRP 51 N 4.59 1.56 -3.83 1.90 7.02 -1.07 -3.19 117.44 124.42 1o7c n TRP 51 Ca -0.19 0.51 -0.06 0.00 -1.02 0.00 0.00 57.50 56.74 1o7c n TRP 51 Cb 0.51 -2.28 0.01 0.00 -2.42 0.00 0.00 31.31 27.13 1o7c n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7c s MET 52 N -2.27 1.76 1.46 -0.99 0.23 0.66 -3.24 119.30 116.91 1o7c s MET 52 Ca 0.65 -1.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.22 1o7c s MET 52 Cb -0.50 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 1o7c s MET 52 CO 0.55 -0.82 0.00 0.00 -2.03 0.00 0.00 175.02 172.72 1o7c n ALA 53 N -0.56 0.00 0.35 3.16 0.00 -1.06 -0.30 120.51 122.10 1o7c n ALA 53 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1o7c n ALA 53 Cb 0.60 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.24 1o7c n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7c n LYS 54 N -0.66 0.09 0.00 0.00 4.01 -1.26 -4.35 118.16 116.00 1o7c n LYS 54 Ca 0.00 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1o7c n LYS 54 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1o7c n GLY 55 N -0.64 -0.01 3.73 0.72 0.00 -1.06 -5.12 105.19 102.80 1o7c n GLY 55 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1o7c n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1o7c s ARG 56 N 0.00 4.29 -0.18 1.61 1.70 0.59 -4.36 118.95 122.60 1o7c s ARG 56 Ca 0.00 0.30 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1o7c s ARG 56 Cb 0.00 -3.42 0.01 0.00 -0.57 0.00 0.00 34.95 30.97 1o7c s ARG 56 CO 0.00 0.21 -0.17 0.54 -1.08 0.00 0.00 175.30 174.80 1o7c s VAL 57 N 0.51 2.38 0.00 4.99 0.11 -1.26 -0.25 120.40 126.88 1o7c s VAL 57 Ca 0.22 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1o7c s VAL 57 Cb -0.14 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1o7c s VAL 57 CO 0.08 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1o7c n GLY 58 N 4.52 4.50 2.62 6.54 0.00 -1.19 -4.41 105.19 117.76 1o7c n GLY 58 Ca -0.20 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 1o7c n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1o7c s TYR 59 N -0.93 0.14 0.00 1.61 2.02 -0.73 -1.04 117.35 118.42 1o7c s TYR 59 Ca 0.00 -1.03 -0.29 0.00 -0.37 0.00 0.00 57.07 55.38 1o7c s TYR 59 Cb 0.00 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 1o7c s TYR 59 CO 0.00 -0.89 0.94 -1.25 -1.57 0.00 0.00 175.55 172.78 1o7c s PRO 60 N 1.53 4.56 -0.21 -1.71 0.04 -1.26 -2.26 135.00 135.68 1o7c s PRO 60 Ca 0.15 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 1o7c s PRO 60 Cb -0.18 -3.45 0.09 0.00 0.04 0.00 0.00 34.50 31.00 1o7c s PRO 60 CO -0.11 -0.00 0.17 0.42 0.04 0.00 0.00 177.00 177.52 1o7c s ILE 61 N 0.86 -0.22 0.17 0.56 -1.09 -1.24 -3.24 121.20 117.00 1o7c s ILE 61 Ca 0.49 -0.24 -0.09 0.00 -2.23 0.00 0.00 60.65 58.58 1o7c s ILE 61 Cb -0.21 -0.71 0.02 0.00 -1.58 0.00 0.00 42.46 39.99 1o7c s ILE 61 CO 0.27 -0.32 1.58 -0.37 -1.23 0.00 0.00 174.94 174.87 1o7c h VAL 62 N 6.36 1.27 -3.48 2.92 -1.51 -1.91 -3.35 116.25 116.55 1o7c h VAL 62 Ca -0.16 -1.33 -0.73 0.00 -1.23 0.00 0.00 66.70 63.24 1o7c h VAL 62 Cb 1.13 1.06 -0.30 0.00 -2.13 0.00 0.00 31.29 31.05 1o7c h VAL 62 CO 0.31 0.46 -0.26 -0.75 -1.23 0.00 0.00 177.57 176.10 1o7c s LYS 63 N -4.74 2.78 -0.55 5.19 2.47 -1.26 -4.95 119.74 118.68 1o7c s LYS 63 Ca -0.11 -2.14 -0.32 0.00 -1.56 0.00 0.00 55.97 51.83 1o7c s LYS 63 Cb 0.13 -4.00 -0.13 0.00 -1.46 0.00 0.00 37.83 32.36 1o7c s LYS 63 CO 0.87 -1.22 2.37 -2.30 0.16 0.00 0.00 175.35 175.23 1o7c n PRO 64 N 4.30 0.75 -1.60 4.03 -0.02 -1.26 -4.90 135.00 136.30 1o7c n PRO 64 Ca 0.01 0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 1o7c n PRO 64 Cb 0.41 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1o7c n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1o7c s GLY 65 N 8.93 1.65 -0.16 -1.23 0.00 -1.26 -4.52 107.32 110.73 1o7c s GLY 65 Ca 1.14 -0.02 -0.27 0.00 0.00 0.00 0.00 44.72 45.57 1o7c s GLY 65 CO 0.44 0.32 0.60 -0.56 0.00 0.00 0.00 173.10 173.90 1o7c h PRO 66 N -0.78 0.00 0.00 2.90 0.13 -1.91 0.80 132.00 133.14 1o7c h PRO 66 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1o7c h PRO 66 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1o7c h PRO 66 CO 0.58 1.00 -1.58 0.27 -0.23 0.00 0.00 178.00 178.04 1o7c n ASN 67 N -4.55 0.62 0.00 1.44 0.23 -1.26 -3.90 115.26 107.85 1o7c n ASN 67 Ca -0.17 -0.30 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 1o7c n ASN 67 Cb 0.55 1.61 0.00 0.00 -2.08 0.00 0.00 39.78 39.86 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o7c n GLY 69 N 2.99 -0.76 3.87 0.00 0.00 -1.25 -4.83 105.19 105.21 1o7c n GLY 69 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1o7c n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o7c n PHE 70 N -0.99 0.00 0.00 1.61 3.01 -0.79 -1.90 117.46 118.40 1o7c n PHE 70 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1o7c n PHE 70 Cb 0.08 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 38.63 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o7c n GLY 71 N -2.00 1.95 3.85 1.37 0.00 0.27 -4.80 105.19 105.83 1o7c n GLY 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1o7c n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o7c s LYS 72 N -0.65 3.96 -0.08 1.61 -0.14 -0.80 -4.90 119.74 118.75 1o7c s LYS 72 Ca 0.00 0.88 0.03 0.00 -1.36 0.00 0.00 55.97 55.53 1o7c s LYS 72 Cb 0.00 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 1o7c s LYS 72 CO 0.00 -0.18 -0.18 0.95 -0.76 0.00 0.00 175.35 175.17 1o7c s THR 73 N -2.50 1.60 0.00 2.17 -4.23 -1.26 -4.16 115.64 107.26 1o7c s THR 73 Ca 0.58 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1o7c s THR 73 Cb -0.10 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.34 1o7c s THR 73 CO 0.28 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1o7c n GLY 74 N 3.55 -1.01 3.55 3.99 0.00 -1.25 -4.70 105.19 109.31 1o7c n GLY 74 Ca -0.20 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 1o7c n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7c s ILE 75 N -1.06 3.56 -1.04 -0.61 1.01 -1.26 -3.72 121.20 118.08 1o7c s ILE 75 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 1o7c s ILE 75 Cb 0.00 -4.45 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 1o7c s ILE 75 CO 0.00 -1.39 1.93 -0.63 0.00 0.00 0.00 174.94 174.84 1o7c s ILE 76 N 7.45 3.51 -0.08 2.92 -1.09 -0.96 -4.74 121.20 128.22 1o7c s ILE 76 Ca 0.53 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 1o7c s ILE 76 Cb -0.09 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 1o7c s ILE 76 CO 0.13 -1.01 -0.19 -0.62 -1.23 0.00 0.00 174.94 172.02 1o7c s ASP 77 N 7.21 3.56 -0.20 3.58 2.15 -1.26 -1.78 116.67 129.93 1o7c s ASP 77 Ca 0.68 -0.39 0.15 0.00 0.43 0.00 0.00 52.55 53.43 1o7c s ASP 77 Cb -0.04 -1.09 0.52 0.00 -0.30 0.00 0.00 42.92 42.01 1o7c s ASP 77 CO 0.05 0.24 1.43 -1.22 -0.17 0.00 0.00 175.17 175.50 1o7c n TYR 78 N 2.98 0.97 -0.79 -5.34 4.02 -1.26 -5.03 117.16 112.71 1o7c n TYR 78 Ca -0.18 -1.04 0.10 0.00 -0.01 0.00 0.00 57.90 56.77 1o7c n TYR 78 Cb 0.52 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 1o7c n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o7c n GLY 79 N -0.69 -2.27 3.55 2.72 0.00 -1.26 -4.85 105.19 102.39 1o7c n GLY 79 Ca 0.24 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1o7c n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7c n ILE 80 N -3.42 2.45 -1.18 -0.61 5.41 -1.26 -4.53 119.36 116.21 1o7c n ILE 80 Ca -0.02 -0.40 0.03 0.00 1.00 0.00 0.00 62.75 63.36 1o7c n ILE 80 Cb 0.37 -0.94 0.04 0.00 -0.71 0.00 0.00 39.64 38.39 1o7c n ILE 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1o7c n ARG 81 N -1.28 0.90 -2.17 0.38 5.12 -1.26 -4.98 116.66 113.37 1o7c n ARG 81 Ca 0.12 -1.45 -0.17 0.00 -1.93 0.00 0.00 57.85 54.42 1o7c n ARG 81 Cb 0.49 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.89 1o7c n ARG 81 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1o7c n LEU 82 N -0.51 -1.50 -2.85 0.55 7.99 -1.26 -4.88 117.00 114.54 1o7c n LEU 82 Ca 0.05 0.17 -0.27 0.00 -0.01 0.00 0.00 56.01 55.95 1o7c n LEU 82 Cb 0.56 -2.55 -0.03 0.00 -0.11 0.00 0.00 43.42 41.29 1o7c n LEU 82 CO 0.00 -0.38 0.14 0.59 -1.51 0.00 0.00 177.39 176.24 1o7c n ASN 83 N -1.66 4.38 0.00 -1.43 4.13 -1.26 -4.83 115.26 114.60 1o7c n ASN 83 Ca -0.19 -3.66 0.05 0.00 1.68 0.00 0.00 54.58 52.45 1o7c n ASN 83 Cb 0.63 -0.54 0.29 0.00 -1.54 0.00 0.00 39.78 38.62 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1o7c n ARG 84 N -0.28 0.27 -0.21 3.52 1.74 -1.26 -1.28 116.66 119.17 1o7c n ARG 84 Ca 0.32 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.57 1o7c n ARG 84 Cb 0.46 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.66 1o7c n ARG 84 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1o7c n SER 85 N -1.08 3.16 -3.19 0.55 2.88 -1.26 -3.29 113.62 111.39 1o7c n SER 85 Ca 0.07 -1.95 -0.20 0.00 -1.33 0.00 0.00 58.87 55.46 1o7c n SER 85 Cb 0.05 -0.27 0.17 0.00 -0.75 0.00 0.00 64.21 63.41 1o7c n SER 85 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1o7c n GLU 86 N 1.28 -2.67 -3.76 -1.46 -0.58 -0.40 -4.96 120.64 108.09 1o7c n GLU 86 Ca 0.19 -1.12 -0.26 0.00 -0.42 0.00 0.00 57.16 55.55 1o7c n GLU 86 Cb 0.55 -1.11 -0.17 0.00 -0.57 0.00 0.00 31.44 30.14 1o7c n GLU 86 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1o7c s ARG 87 N -4.59 0.72 0.00 3.49 1.70 -1.26 -4.06 118.95 114.94 1o7c s ARG 87 Ca 0.46 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 1o7c s ARG 87 Cb -0.05 -1.78 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1o7c s ARG 87 CO 0.36 -0.53 0.00 0.91 -1.08 0.00 0.00 175.30 174.97 1o7c n TRP 88 N 5.06 0.00 -2.59 5.89 7.02 -0.13 -4.39 117.44 128.30 1o7c n TRP 88 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1o7c n TRP 88 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1o7c n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1o7c n ASP 89 N 0.00 0.00 -3.68 -0.99 8.00 0.80 -1.31 116.55 119.37 1o7c n ASP 89 Ca 0.00 -0.98 -0.16 0.00 0.71 0.00 0.00 54.79 54.37 1o7c n ASP 89 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 1o7c n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o7c s ALA 90 N -2.39 -0.23 -0.49 2.24 0.00 -0.53 -2.59 121.76 117.76 1o7c s ALA 90 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 1o7c s ALA 90 Cb 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1o7c s ALA 90 CO 0.00 -0.50 0.75 0.71 0.00 0.00 0.00 175.76 176.72 1o7c s TYR 91 N 2.10 2.97 0.66 0.00 2.02 -1.20 -0.41 117.35 123.49 1o7c s TYR 91 Ca 0.01 -0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 1o7c s TYR 91 Cb -0.12 -3.68 0.01 0.00 -0.40 0.00 0.00 41.96 37.78 1o7c s TYR 91 CO -0.06 -1.08 1.03 0.00 -1.57 0.00 0.00 175.55 173.86 1o7c s TYR 93 N -3.22 -0.88 0.01 0.00 6.14 0.11 -0.95 117.35 118.55 1o7c s TYR 93 Ca 0.57 1.50 0.02 0.00 0.64 0.00 0.00 57.07 59.80 1o7c s TYR 93 Cb -0.11 0.32 -0.01 0.00 0.42 0.00 0.00 41.96 42.58 1o7c s TYR 93 CO 0.49 -0.55 -0.07 -0.80 0.64 0.00 0.00 175.55 175.26 1o7c s ASN 94 N 2.64 0.84 0.45 4.32 -0.87 0.11 -1.13 114.94 121.29 1o7c s ASN 94 Ca 0.01 -0.21 0.21 0.00 -1.57 0.00 0.00 52.86 51.30 1o7c s ASN 94 Cb -0.13 -0.07 1.19 0.00 -0.02 0.00 0.00 41.25 42.23 1o7c s ASN 94 CO -0.14 0.03 1.85 -0.65 -2.57 0.00 0.00 177.10 175.62 1o7c h PRO 95 N 5.66 0.29 0.00 -0.60 0.11 -1.93 -3.11 132.00 132.42 1o7c h PRO 95 Ca -0.31 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 1o7c h PRO 95 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1o7c h PRO 95 CO 0.48 0.19 -1.16 0.72 -0.21 0.00 0.00 178.00 178.03 1o7c n HIS 96 N -4.47 0.00 -3.38 0.65 8.25 -1.26 -4.52 115.22 110.50 1o7c n HIS 96 Ca 0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.49 1o7c n HIS 96 Cb 0.80 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7c n ALA 97 N -2.35 -2.24 1.01 -1.41 0.00 -1.18 -4.92 120.51 109.42 1o7c n ALA 97 Ca -0.04 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1o7c n ALA 97 Cb 0.56 -0.50 0.11 0.00 0.00 0.00 0.00 19.45 19.62 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67