#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 5.35 0.34 1.61 0.11 -1.26 -1.72 120.40 124.84 1o7c s VAL 2 Ca 0.00 0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 59.44 1o7c s VAL 2 Cb 0.00 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1o7c s VAL 2 CO 0.00 0.60 0.47 -0.72 -3.33 0.00 0.00 175.10 172.12 1o7c s TYR 3 N -1.00 1.07 0.31 1.54 1.13 -0.18 -4.99 117.35 115.24 1o7c s TYR 3 Ca 0.18 -1.30 -0.04 0.00 -1.41 0.00 0.00 57.07 54.50 1o7c s TYR 3 Cb -0.13 -0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.58 1o7c s TYR 3 CO 0.07 -1.13 0.57 -1.58 -2.51 0.00 0.00 175.55 170.97 1o7c s HIS 4 N -3.07 3.48 0.03 -3.49 5.65 -1.26 -1.46 115.29 115.17 1o7c s HIS 4 Ca 0.31 0.63 -0.13 0.00 0.25 0.00 0.00 55.06 56.12 1o7c s HIS 4 Cb -0.00 -2.10 0.02 0.00 -1.18 0.00 0.00 32.58 29.31 1o7c s HIS 4 CO 0.20 0.13 0.28 0.50 -0.65 0.00 0.00 174.74 175.20 1o7c s ARG 5 N -3.71 0.75 0.40 2.88 6.06 0.32 -4.78 118.95 120.86 1o7c s ARG 5 Ca 0.44 -0.48 0.04 0.00 -2.50 0.00 0.00 55.73 53.23 1o7c s ARG 5 Cb -0.11 0.32 -0.05 0.00 0.06 0.00 0.00 34.95 35.18 1o7c s ARG 5 CO 0.31 -0.23 0.06 -2.00 -2.50 0.00 0.00 175.30 170.94 1o7c s GLU 6 N -2.31 1.89 0.41 5.12 2.12 -1.26 -1.54 118.70 123.13 1o7c s GLU 6 Ca -0.07 -2.12 -0.17 0.00 0.36 0.00 0.00 54.97 52.98 1o7c s GLU 6 Cb -0.02 -1.05 -0.09 0.00 0.26 0.00 0.00 34.13 33.24 1o7c s GLU 6 CO -0.02 -0.28 0.87 0.00 -0.54 0.00 0.00 175.26 175.28 1o7c s ALA 7 N -3.10 3.18 0.28 6.30 0.00 -1.22 -4.89 121.76 122.31 1o7c s ALA 7 Ca 0.27 0.16 0.36 0.00 0.00 0.00 0.00 51.96 52.74 1o7c s ALA 7 Cb 0.06 -2.96 1.85 0.00 0.00 0.00 0.00 23.12 22.07 1o7c s ALA 7 CO 0.13 0.09 2.09 0.00 0.00 0.00 0.00 175.76 178.07 1o7c h ARG 8 N 1.70 0.00 0.00 0.00 2.47 -2.01 -1.73 114.38 114.81 1o7c h ARG 8 Ca -0.48 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 57.96 1o7c h ARG 8 Cb 1.18 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.45 1o7c h ARG 8 CO 0.63 0.00 -2.21 0.43 0.56 0.00 0.00 179.97 179.37 1o7c n SER 9 N -2.81 0.10 0.00 7.04 7.64 -1.26 -5.09 113.62 119.24 1o7c n SER 9 Ca -0.02 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1o7c n SER 9 Cb 0.11 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 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 1.62 2.87 3.71 0.23 0.00 -0.65 -5.10 105.19 107.86 1o7c n GLY 10 Ca -0.25 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 1.94 -1.25 1.61 2.20 -1.26 -3.39 119.74 117.47 1o7c s LYS 11 Ca 0.00 1.87 -0.00 0.00 -0.36 0.00 0.00 55.97 57.48 1o7c s LYS 11 Cb 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 1o7c s LYS 11 CO 0.00 -2.01 0.88 0.66 -0.36 0.00 0.00 175.35 174.52 1o7c n TYR 12 N -2.82 -2.09 -1.11 4.03 4.02 -1.26 -4.87 117.16 113.05 1o7c n TYR 12 Ca 0.14 0.90 0.00 0.00 -0.01 0.00 0.00 57.90 58.93 1o7c n TYR 12 Cb 0.50 -4.78 0.00 0.00 -0.02 0.00 0.00 39.34 35.03 1o7c n TYR 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1o7c n LYS 13 N -4.22 0.00 -4.22 -0.72 5.02 -1.22 -4.25 118.16 108.56 1o7c n LYS 13 Ca -0.28 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.61 1o7c n LYS 13 Cb 0.67 -0.44 -0.10 0.00 -0.02 0.00 0.00 35.03 35.14 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 0.00 3.64 0.10 -0.35 1.43 -0.47 -4.82 118.68 118.21 1o7c s LEU 14 Ca 0.00 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1o7c s LEU 14 Cb 0.00 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1o7c s LEU 14 CO 0.00 0.26 0.14 0.42 0.23 0.00 0.00 176.35 177.40 1o7c s THR 15 N -0.17 4.75 0.24 5.49 -4.23 -1.26 -1.43 115.64 119.03 1o7c s THR 15 Ca 0.06 -0.76 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 1o7c s THR 15 Cb -0.12 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.66 1o7c s THR 15 CO 0.02 0.05 1.12 0.00 -0.54 0.00 0.00 174.62 175.27 1o7c n TYR 16 N 0.14 0.58 -0.07 3.99 9.36 -1.13 0.21 117.16 130.24 1o7c n TYR 16 Ca -0.08 0.85 -0.13 0.00 3.32 0.00 0.00 57.90 61.87 1o7c n TYR 16 Cb 0.52 -1.11 -0.06 0.00 -0.63 0.00 0.00 39.34 38.06 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 1.42 0.30 0.34 2.98 0.00 -1.94 -2.54 119.26 119.82 1o7c h ALA 17 Ca 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1o7c h ALA 17 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1o7c h ALA 17 CO -0.63 0.21 -0.16 0.93 0.00 0.00 0.00 179.25 179.60 1o7c h GLU 18 N 0.16 -0.44 -0.94 0.00 5.08 0.22 -2.36 114.58 116.30 1o7c h GLU 18 Ca 0.04 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.71 1o7c h GLU 18 Cb 0.71 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.90 1o7c h GLU 18 CO 0.04 -0.13 0.29 0.00 -1.00 0.00 0.00 179.01 178.22 1o7c h ALA 19 N -0.27 1.50 -0.43 3.43 0.00 0.73 0.82 119.26 125.05 1o7c h ALA 19 Ca -0.05 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1o7c h ALA 19 Cb 0.51 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1o7c h ALA 19 CO 0.08 -0.58 -0.16 -0.22 0.00 0.00 0.00 179.25 178.37 1o7c h LYS 20 N 0.16 0.81 -0.38 0.00 3.64 -1.35 -2.71 116.57 116.73 1o7c h LYS 20 Ca 0.64 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1o7c h LYS 20 Cb 1.40 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1o7c h LYS 20 CO -0.72 0.92 0.10 0.00 -2.27 0.00 0.00 179.45 177.48 1o7c h ALA 21 N 1.09 1.46 0.17 5.00 0.00 0.12 0.25 119.26 127.35 1o7c h ALA 21 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1o7c h ALA 21 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1o7c h ALA 21 CO 0.05 0.40 -0.08 0.28 0.00 0.00 0.00 179.25 179.90 1o7c h VAL 22 N 0.55 0.94 0.21 0.00 2.07 -0.99 0.20 116.25 119.23 1o7c h VAL 22 Ca 0.13 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1o7c h VAL 22 Cb 0.20 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1o7c h VAL 22 CO -0.00 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.68 1o7c h GLU 24 N -0.50 0.00 -0.46 0.00 4.81 -0.05 0.43 114.58 118.81 1o7c h GLU 24 Ca -0.03 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1o7c h GLU 24 Cb 0.37 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 1o7c h GLU 24 CO 0.05 0.01 -0.02 0.35 -0.73 0.00 0.00 179.01 178.67 1o7c h PHE 25 N 0.00 -0.06 -1.95 0.92 3.57 -0.01 -2.29 116.94 117.12 1o7c h PHE 25 Ca -0.00 0.03 -0.72 0.00 3.53 0.00 0.00 57.97 60.81 1o7c h PHE 25 Cb 0.14 0.10 -0.32 0.00 2.79 0.00 0.00 35.95 38.66 1o7c h PHE 25 CO 0.00 -0.11 0.53 0.39 -2.23 0.00 0.00 178.31 176.89 1o7c n GLU 26 N -5.23 3.36 -3.63 1.11 1.02 -1.01 -4.84 120.64 111.42 1o7c n GLU 26 Ca 0.04 -4.02 -0.27 0.00 -0.02 0.00 0.00 57.16 52.89 1o7c n GLU 26 Cb 0.25 -2.29 0.02 0.00 -0.02 0.00 0.00 31.44 29.39 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 -0.43 -0.50 3.80 0.62 0.00 -0.86 -4.97 105.19 102.84 1o7c n GLY 27 Ca 0.48 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.06 2.24 -0.00 -0.02 0.00 0.15 -4.88 107.32 101.75 1o7c s GLY 28 Ca 0.54 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 43.27 1o7c s GLY 28 CO 0.67 -1.82 -0.06 -2.38 0.00 0.00 0.00 173.10 169.52 1o7c s HIS 29 N -2.54 0.51 0.28 1.90 -3.43 -0.22 -2.27 115.29 109.53 1o7c s HIS 29 Ca 0.44 -0.10 -0.29 0.00 -0.80 0.00 0.00 55.06 54.32 1o7c s HIS 29 Cb 0.01 -0.33 -0.14 0.00 -1.43 0.00 0.00 32.58 30.69 1o7c s HIS 29 CO 0.25 -0.01 1.10 -0.11 -2.00 0.00 0.00 174.74 173.97 1o7c n LEU 30 N 2.94 2.13 -4.85 5.38 0.00 -1.26 0.20 117.00 121.54 1o7c n LEU 30 Ca -0.13 1.18 -0.32 0.00 0.00 0.00 0.00 56.01 56.74 1o7c n LEU 30 Cb 0.58 -1.32 -0.05 0.00 0.00 0.00 0.00 43.42 42.63 1o7c n LEU 30 CO 0.25 -1.18 0.52 0.00 0.00 0.00 0.00 177.39 176.98 1o7c s ALA 31 N -0.90 3.23 0.08 1.96 0.00 0.11 -4.61 121.76 121.63 1o7c s ALA 31 Ca 0.60 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1o7c s ALA 31 Cb -0.69 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1o7c s ALA 31 CO 0.59 0.09 0.07 0.25 0.00 0.00 0.00 175.76 176.76 1o7c n THR 32 N -0.92 0.00 0.05 0.00 -2.24 -1.26 -3.19 114.28 106.72 1o7c n THR 32 Ca 0.04 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.50 1o7c n THR 32 Cb 0.54 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.40 -0.12 -0.98 4.78 3.20 -1.96 0.04 116.97 122.32 1o7c h TYR 33 Ca -0.05 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.09 1o7c h TYR 33 Cb 0.18 0.04 -0.14 0.00 1.54 0.00 0.00 36.73 38.35 1o7c h TYR 33 CO 0.00 -0.07 0.54 0.87 -1.64 0.00 0.00 178.16 177.86 1o7c h LYS 34 N -0.24 0.43 0.30 1.82 1.79 -1.98 0.49 116.57 119.17 1o7c h LYS 34 Ca -0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1o7c h LYS 34 Cb 0.10 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1o7c h LYS 34 CO 0.02 0.28 -0.14 1.96 -1.08 0.00 0.00 179.45 180.49 1o7c h GLN 35 N 0.44 -0.39 0.00 3.15 4.20 -1.97 -1.80 115.11 118.74 1o7c h GLN 35 Ca 0.67 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.40 1o7c h GLN 35 Cb 1.38 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.25 1o7c h GLN 35 CO -0.54 -0.08 0.07 1.25 -0.67 0.00 0.00 178.83 178.85 1o7c h LEU 36 N -0.71 0.00 0.31 1.46 7.12 0.99 -1.70 115.31 122.78 1o7c h LEU 36 Ca -0.04 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 1o7c h LEU 36 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1o7c h LEU 36 CO 0.07 0.00 -0.15 -0.08 -0.13 0.00 0.00 178.44 178.15 1o7c h GLU 37 N 0.00 -0.39 0.00 1.25 4.57 0.41 0.25 114.58 120.66 1o7c h GLU 37 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1o7c h GLU 37 Cb 0.14 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1o7c h GLU 37 CO 0.00 -0.26 0.09 0.00 -1.18 0.00 0.00 179.01 177.65 1o7c h ALA 38 N -1.33 1.06 0.00 2.92 0.00 -0.85 0.38 119.26 121.45 1o7c h ALA 38 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1o7c h ALA 38 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1o7c h ALA 38 CO 0.07 -0.06 -1.94 0.00 0.00 0.00 0.00 179.25 177.32 1o7c n ALA 39 N -1.77 1.60 0.07 0.00 0.00 -0.69 -4.01 120.51 115.71 1o7c n ALA 39 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.41 1o7c n ALA 39 Cb 0.12 -0.61 0.07 0.00 0.00 0.00 0.00 19.45 19.03 1o7c n ALA 39 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o7c h ARG 40 N 0.00 0.29 0.00 0.00 2.43 0.32 -1.85 114.38 115.56 1o7c h ARG 40 Ca -0.36 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1o7c h ARG 40 Cb 2.01 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1o7c h ARG 40 CO 0.05 0.86 0.00 0.87 -1.51 0.00 0.00 179.97 180.24 1o7c h LYS 41 N 0.20 0.00 0.00 0.20 1.57 -1.14 -2.33 116.57 115.06 1o7c h LYS 41 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1o7c h LYS 41 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1o7c h LYS 41 CO 0.11 0.00 -0.55 -0.84 -0.57 0.00 0.00 179.45 177.60 1o7c h ILE 42 N 0.00 0.00 0.00 1.86 3.07 -1.65 -3.46 117.51 117.33 1o7c h ILE 42 Ca 0.00 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.68 1o7c h ILE 42 Cb 0.48 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1o7c h ILE 42 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 1o7c n GLY 43 N 1.25 0.61 3.53 0.16 0.00 -0.89 -5.09 105.19 104.76 1o7c n GLY 43 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.98 2.55 -0.16 1.61 2.19 -0.71 -4.98 117.98 117.51 1o7c s PHE 44 Ca 0.00 -0.62 -0.00 0.00 0.33 0.00 0.00 56.93 56.63 1o7c s PHE 44 Cb 0.00 -4.56 -0.01 0.00 -1.31 0.00 0.00 43.02 37.14 1o7c s PHE 44 CO 0.00 -1.88 -0.13 -1.58 1.83 0.00 0.00 175.22 173.46 1o7c s HIS 45 N 4.77 2.81 -0.29 10.12 5.65 -1.26 -4.28 115.29 132.82 1o7c s HIS 45 Ca 0.37 -0.92 -0.00 0.00 0.25 0.00 0.00 55.06 54.76 1o7c s HIS 45 Cb -0.06 -1.90 0.14 0.00 -1.18 0.00 0.00 32.58 29.58 1o7c s HIS 45 CO 0.01 -0.41 0.31 0.54 -0.65 0.00 0.00 174.74 174.54 1o7c s VAL 46 N 0.77 -0.44 -1.21 0.89 0.11 -1.22 -5.02 120.40 114.28 1o7c s VAL 46 Ca -0.05 -0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 58.41 1o7c s VAL 46 Cb -0.15 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.66 1o7c s VAL 46 CO 0.01 -0.44 2.29 0.00 -3.33 0.00 0.00 175.10 173.63 1o7c s ALA 48 N 3.48 -2.21 -0.44 0.00 0.00 -1.26 -5.06 121.76 116.27 1o7c s ALA 48 Ca 0.53 2.22 -0.46 0.00 0.00 0.00 0.00 51.96 54.25 1o7c s ALA 48 Cb 0.14 -1.89 -0.20 0.00 0.00 0.00 0.00 23.12 21.18 1o7c s ALA 48 CO -0.02 -0.99 1.53 0.00 0.00 0.00 0.00 175.76 176.28 1o7c n ALA 49 N 5.37 -1.59 -3.95 0.00 0.00 -1.26 -4.66 120.51 114.42 1o7c n ALA 49 Ca -0.10 0.51 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 1o7c n ALA 49 Cb 0.50 -1.89 -0.16 0.00 0.00 0.00 0.00 19.45 17.89 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 2.67 1.18 1.00 0.00 0.00 0.17 0.43 107.32 112.77 1o7c s GLY 50 Ca 1.03 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 44.66 1o7c s GLY 50 CO 0.79 0.39 0.50 0.79 0.00 0.00 0.00 173.10 175.56 1o7c n TRP 51 N 4.60 -1.05 -3.92 1.90 7.02 -1.07 -3.20 117.44 121.72 1o7c n TRP 51 Ca -0.18 0.21 -0.10 0.00 -1.02 0.00 0.00 57.50 56.41 1o7c n TRP 51 Cb 0.50 -1.77 -0.02 0.00 -2.42 0.00 0.00 31.31 27.61 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 -3.82 1.89 0.95 -0.99 0.23 0.20 -3.75 119.30 114.02 1o7c s MET 52 Ca 0.59 -1.35 -0.13 0.00 -1.03 0.00 0.00 55.69 53.78 1o7c s MET 52 Cb -0.20 0.55 0.06 0.00 -1.53 0.00 0.00 34.83 33.71 1o7c s MET 52 CO 0.65 -0.84 0.50 0.00 -2.03 0.00 0.00 175.02 173.30 1o7c n ALA 53 N -0.48 -2.42 0.00 3.16 0.00 -1.19 -2.46 120.51 117.11 1o7c n ALA 53 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1o7c n ALA 53 Cb 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.10 0.00 0.00 0.00 5.02 -1.26 -3.21 118.16 116.61 1o7c n LYS 54 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1o7c n LYS 54 Cb 0.54 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o7c n GLY 55 N 0.00 1.77 3.97 0.72 0.00 -1.03 -4.98 105.19 105.63 1o7c n GLY 55 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1o7c n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o7c s ARG 56 N -0.15 3.41 -0.25 1.61 0.52 -1.18 -4.54 118.95 118.37 1o7c s ARG 56 Ca 0.00 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1o7c s ARG 56 Cb 0.00 -2.88 0.13 0.00 0.52 0.00 0.00 34.95 32.72 1o7c s ARG 56 CO 0.00 0.41 0.33 0.54 0.02 0.00 0.00 175.30 176.60 1o7c s VAL 57 N -1.99 -0.50 0.00 3.52 0.11 -1.26 0.61 120.40 120.89 1o7c s VAL 57 Ca 0.34 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1o7c s VAL 57 Cb -0.09 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1o7c s VAL 57 CO 0.29 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1o7c n GLY 58 N 5.34 3.31 2.49 6.54 0.00 -1.19 -4.69 105.19 116.99 1o7c n GLY 58 Ca -0.03 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 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 0.46 1.21 0.16 1.61 2.02 -0.88 -0.65 117.35 121.28 1o7c s TYR 59 Ca 0.00 -2.13 -0.32 0.00 -0.37 0.00 0.00 57.07 54.25 1o7c s TYR 59 Cb 0.00 -1.14 -0.10 0.00 -0.40 0.00 0.00 41.96 40.31 1o7c s TYR 59 CO 0.00 -0.81 1.65 -2.14 -1.57 0.00 0.00 175.55 172.68 1o7c s PRO 60 N 0.39 4.18 -0.10 -1.71 0.02 -1.26 -2.55 135.00 133.98 1o7c s PRO 60 Ca 0.25 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 63.69 1o7c s PRO 60 Cb -0.10 -3.22 0.05 0.00 0.02 0.00 0.00 34.50 31.25 1o7c s PRO 60 CO -0.09 -0.69 0.11 0.42 -0.33 0.00 0.00 177.00 176.42 1o7c s ILE 61 N 1.46 -0.17 -0.54 2.83 -1.09 -1.11 -3.45 121.20 119.13 1o7c s ILE 61 Ca 0.73 0.23 0.23 0.00 -2.23 0.00 0.00 60.65 59.61 1o7c s ILE 61 Cb -0.45 -0.33 -0.00 0.00 -1.58 0.00 0.00 42.46 40.09 1o7c s ILE 61 CO 0.32 0.03 1.19 0.52 -1.23 0.00 0.00 174.94 175.77 1o7c n VAL 62 N 5.30 0.37 -3.48 2.92 0.31 -1.26 -2.54 118.33 119.96 1o7c n VAL 62 Ca -0.05 -0.33 -0.27 0.00 -0.01 0.00 0.00 64.34 63.68 1o7c n VAL 62 Cb 0.50 -0.10 -0.13 0.00 -0.91 0.00 0.00 33.84 33.20 1o7c n VAL 62 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1o7c s LYS 63 N -3.22 0.42 0.19 5.55 2.20 -1.26 -4.94 119.74 118.68 1o7c s LYS 63 Ca 0.04 -0.96 -0.32 0.00 -0.36 0.00 0.00 55.97 54.37 1o7c s LYS 63 Cb 0.13 -1.17 -0.11 0.00 -1.51 0.00 0.00 37.83 35.16 1o7c s LYS 63 CO 0.76 -1.14 1.69 -1.25 -0.36 0.00 0.00 175.35 175.05 1o7c s PRO 64 N 1.51 4.15 0.00 4.03 0.04 -1.26 -4.81 135.00 138.66 1o7c s PRO 64 Ca 0.14 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1o7c s PRO 64 Cb -0.20 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1o7c s PRO 64 CO -0.14 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1o7c n GLY 65 N 3.95 3.62 0.00 0.56 0.00 -1.26 -4.74 105.19 107.32 1o7c n GLY 65 Ca 0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1o7c n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o7c n PRO 66 N 0.00 0.00 -0.04 1.61 -0.04 -1.26 -3.48 135.00 131.79 1o7c n PRO 66 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1o7c n PRO 66 Cb 0.00 -0.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 1o7c n PRO 66 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1o7c n ASN 67 N -0.41 1.79 -0.14 3.54 6.94 -1.26 -3.41 115.26 122.31 1o7c n ASN 67 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 1o7c n ASN 67 Cb 0.00 1.15 -0.00 0.00 -2.36 0.00 0.00 39.78 38.57 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1o7c n GLY 69 N -0.86 -1.11 2.45 0.00 0.00 -1.26 -4.87 105.19 99.54 1o7c n GLY 69 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.70 -0.66 -1.33 1.61 3.72 -1.21 -0.83 117.46 116.06 1o7c n PHE 70 Ca -0.14 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.14 1o7c n PHE 70 Cb 0.85 -3.63 -0.05 0.00 -0.94 0.00 0.00 39.48 35.71 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o7c n GLY 71 N -0.74 1.17 3.82 1.37 0.00 -1.23 -4.97 105.19 104.62 1o7c n GLY 71 Ca -0.22 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.84 2.28 -0.06 1.61 -0.14 -0.01 -4.96 119.74 115.62 1o7c s LYS 72 Ca 0.00 0.60 0.03 0.00 -1.36 0.00 0.00 55.97 55.24 1o7c s LYS 72 Cb 0.00 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.22 1o7c s LYS 72 CO 0.00 -1.47 -0.13 0.95 -0.76 0.00 0.00 175.35 173.93 1o7c s THR 73 N -3.20 1.21 0.00 2.17 -4.23 -1.26 -4.23 115.64 106.10 1o7c s THR 73 Ca 0.60 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1o7c s THR 73 Cb -0.14 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1o7c s THR 73 CO 0.54 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.60 1o7c n GLY 74 N 3.71 -1.39 3.68 3.99 0.00 -1.05 -4.72 105.19 109.41 1o7c n GLY 74 Ca -0.22 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 4.33 -1.15 -0.61 1.01 -1.26 -2.75 121.20 120.77 1o7c s ILE 75 Ca 0.00 1.64 -0.13 0.00 0.00 0.00 0.00 60.65 62.16 1o7c s ILE 75 Cb 0.00 -4.06 0.20 0.00 0.01 0.00 0.00 42.46 38.62 1o7c s ILE 75 CO 0.00 -0.02 1.29 -0.63 0.00 0.00 0.00 174.94 175.58 1o7c s ILE 76 N 2.36 5.35 -0.22 2.92 -1.09 -1.06 -4.87 121.20 124.59 1o7c s ILE 76 Ca 0.55 -2.83 -0.05 0.00 -2.23 0.00 0.00 60.65 56.09 1o7c s ILE 76 Cb -0.23 -4.79 -0.02 0.00 -1.58 0.00 0.00 42.46 35.84 1o7c s ILE 76 CO 0.20 -1.46 -0.01 -0.62 -1.23 0.00 0.00 174.94 171.83 1o7c s ASP 77 N 2.37 4.61 0.00 3.58 2.15 -1.26 -2.07 116.67 126.06 1o7c s ASP 77 Ca 0.38 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1o7c s ASP 77 Cb -0.05 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1o7c s ASP 77 CO -0.03 -0.01 0.00 -1.22 -0.17 0.00 0.00 175.17 173.74 1o7c n TYR 78 N 4.71 0.00 0.00 -5.34 4.02 -1.26 -5.02 117.16 114.28 1o7c n TYR 78 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1o7c n TYR 78 Cb 0.51 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 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 2.17 0.88 3.56 2.72 0.00 -1.26 -5.09 105.19 108.16 1o7c n GLY 79 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.33 0.23 0.70 -0.61 5.41 -1.26 -4.71 119.36 118.78 1o7c n ILE 80 Ca 0.00 -0.48 0.03 0.00 1.00 0.00 0.00 62.75 63.31 1o7c n ILE 80 Cb 0.00 -2.38 0.13 0.00 -0.71 0.00 0.00 39.64 36.68 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 8.70 2.04 -2.22 0.38 5.12 -1.26 -4.86 116.66 124.55 1o7c n ARG 81 Ca 0.34 -1.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.07 1o7c n ARG 81 Cb 0.41 -1.52 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 1o7c n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1o7c n LEU 82 N 0.25 -1.29 -3.08 0.55 -0.00 -1.26 -4.87 117.00 107.30 1o7c n LEU 82 Ca 0.09 0.19 -0.26 0.00 -0.00 0.00 0.00 56.01 56.03 1o7c n LEU 82 Cb 0.42 -2.31 -0.05 0.00 -0.00 0.00 0.00 43.42 41.49 1o7c n LEU 82 CO 0.09 -0.28 0.09 0.59 -0.00 0.00 0.00 177.39 177.89 1o7c n ASN 83 N -1.61 3.95 0.00 1.96 5.03 -1.26 -4.84 115.26 118.49 1o7c n ASN 83 Ca -0.17 -3.56 0.08 0.00 0.87 0.00 0.00 54.58 51.80 1o7c n ASN 83 Cb 0.60 -0.59 0.46 0.00 -1.02 0.00 0.00 39.78 39.23 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1o7c n ARG 84 N 0.09 0.45 -0.12 3.52 3.00 -1.26 -1.60 116.66 120.74 1o7c n ARG 84 Ca 0.30 0.02 0.12 0.00 -0.01 0.00 0.00 57.85 58.28 1o7c n ARG 84 Cb 0.42 -1.50 0.20 0.00 0.00 0.00 0.00 32.46 31.58 1o7c n ARG 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1o7c n SER 85 N -1.05 3.13 -2.81 0.55 3.41 -1.26 -2.86 113.62 112.74 1o7c n SER 85 Ca 0.11 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.74 1o7c n SER 85 Cb 0.07 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1o7c n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1o7c n GLU 86 N 1.32 -1.71 -3.72 4.33 -0.58 -0.63 -4.92 120.64 114.74 1o7c n GLU 86 Ca 0.17 -0.12 -0.26 0.00 -0.42 0.00 0.00 57.16 56.54 1o7c n GLU 86 Cb 0.58 -0.13 -0.17 0.00 -0.57 0.00 0.00 31.44 31.15 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 -3.17 0.53 0.28 3.49 1.04 -1.26 -4.11 118.95 115.75 1o7c s ARG 87 Ca 0.05 -0.23 -0.07 0.00 -1.04 0.00 0.00 55.73 54.44 1o7c s ARG 87 Cb -0.01 -1.78 0.03 0.00 -2.04 0.00 0.00 34.95 31.15 1o7c s ARG 87 CO 0.04 -0.57 0.49 0.91 -0.04 0.00 0.00 175.30 176.13 1o7c n TRP 88 N 5.11 -1.67 -1.16 5.89 7.02 -0.52 -4.43 117.44 127.69 1o7c n TRP 88 Ca -0.08 -1.50 -0.10 0.00 -1.02 0.00 0.00 57.50 54.80 1o7c n TRP 88 Cb 0.48 0.57 0.07 0.00 -2.42 0.00 0.00 31.31 30.01 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 -1.53 -0.29 -3.80 -0.99 9.92 0.17 -1.37 116.55 118.65 1o7c n ASP 89 Ca -0.04 -1.06 -0.14 0.00 -0.53 0.00 0.00 54.79 53.03 1o7c n ASP 89 Cb 0.43 -0.34 -0.15 0.00 -0.64 0.00 0.00 41.12 40.42 1o7c n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7c s ALA 90 N -3.76 0.02 -0.32 2.24 0.00 -0.59 -2.58 121.76 116.77 1o7c s ALA 90 Ca 0.25 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.31 1o7c s ALA 90 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1o7c s ALA 90 CO 0.18 -0.08 0.31 0.71 0.00 0.00 0.00 175.76 176.88 1o7c s TYR 91 N 0.70 3.22 0.27 0.00 2.02 -1.25 -0.52 117.35 121.80 1o7c s TYR 91 Ca -0.06 0.06 -0.05 0.00 -0.37 0.00 0.00 57.07 56.65 1o7c s TYR 91 Cb -0.08 -2.57 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1o7c s TYR 91 CO -0.02 -0.33 0.53 0.00 -1.57 0.00 0.00 175.55 174.16 1o7c s TYR 93 N -2.04 -0.63 0.26 0.00 6.14 0.13 -1.01 117.35 120.20 1o7c s TYR 93 Ca 0.44 0.89 0.04 0.00 0.64 0.00 0.00 57.07 59.07 1o7c s TYR 93 Cb -0.11 -0.01 -0.06 0.00 0.42 0.00 0.00 41.96 42.21 1o7c s TYR 93 CO 0.29 -0.58 0.00 -0.80 0.64 0.00 0.00 175.55 175.11 1o7c s ASN 94 N 2.49 2.07 -0.06 4.32 -0.87 -0.70 -1.05 114.94 121.15 1o7c s ASN 94 Ca 0.06 -1.25 -0.22 0.00 -1.57 0.00 0.00 52.86 49.88 1o7c s ASN 94 Cb -0.14 -0.03 -0.17 0.00 -0.02 0.00 0.00 41.25 40.89 1o7c s ASN 94 CO -0.13 -0.51 0.89 1.55 -2.57 0.00 0.00 177.10 176.33 1o7c h PRO 95 N 2.36 -0.16 -0.79 -0.60 0.13 -1.90 -3.31 132.00 127.74 1o7c h PRO 95 Ca -0.39 0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.45 1o7c h PRO 95 Cb 1.23 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 1o7c h PRO 95 CO 0.66 0.32 0.36 0.72 -0.23 0.00 0.00 178.00 179.83 1o7c n HIS 96 N -4.88 2.56 -0.65 1.56 8.25 -1.26 -4.44 115.22 116.36 1o7c n HIS 96 Ca -0.08 -1.39 -0.09 0.00 -0.26 0.00 0.00 57.72 55.89 1o7c n HIS 96 Cb 0.28 -0.75 -0.10 0.00 1.12 0.00 0.00 29.99 30.54 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 -0.47 4.44 1.68 -1.41 0.00 -1.24 -4.79 120.51 118.71 1o7c n ALA 97 Ca 0.46 -1.26 0.13 0.00 0.00 0.00 0.00 53.44 52.77 1o7c n ALA 97 Cb 1.45 -2.38 0.80 0.00 0.00 0.00 0.00 19.45 19.32 1o7c n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13