#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 5.12 0.26 1.61 0.11 -1.26 -1.12 120.40 125.11 1o7c s VAL 2 Ca 0.00 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1o7c s VAL 2 Cb 0.00 -3.38 0.02 0.00 -1.53 0.00 0.00 36.38 31.48 1o7c s VAL 2 CO 0.00 0.31 0.41 0.00 -3.33 0.00 0.00 175.10 172.50 1o7c n TYR 3 N 0.97 -1.40 -3.60 1.54 4.11 0.52 -4.99 117.16 114.32 1o7c n TYR 3 Ca -0.11 -1.60 -0.28 0.00 -0.00 0.00 0.00 57.90 55.90 1o7c n TYR 3 Cb 0.52 0.47 -0.03 0.00 -0.00 0.00 0.00 39.34 40.30 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 -3.68 3.48 0.00 -3.48 5.65 -1.26 -1.15 115.29 114.85 1o7c s HIS 4 Ca 0.18 0.46 -0.11 0.00 0.25 0.00 0.00 55.06 55.84 1o7c s HIS 4 Cb -0.01 -1.94 0.01 0.00 -1.18 0.00 0.00 32.58 29.45 1o7c s HIS 4 CO 0.13 0.33 0.23 0.50 -0.65 0.00 0.00 174.74 175.28 1o7c s ARG 5 N -3.28 0.61 0.45 2.88 6.06 0.54 -4.75 118.95 121.46 1o7c s ARG 5 Ca 0.40 -0.36 0.05 0.00 -2.50 0.00 0.00 55.73 53.33 1o7c s ARG 5 Cb -0.11 0.26 -0.05 0.00 0.06 0.00 0.00 34.95 35.11 1o7c s ARG 5 CO 0.28 -0.16 0.01 -2.00 -2.50 0.00 0.00 175.30 170.93 1o7c s GLU 6 N -1.60 2.05 0.61 5.12 2.12 -1.26 -1.94 118.70 123.80 1o7c s GLU 6 Ca -0.12 -2.22 -0.11 0.00 0.36 0.00 0.00 54.97 52.88 1o7c s GLU 6 Cb -0.05 -1.60 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 1o7c s GLU 6 CO 0.02 -0.17 1.02 0.00 -0.54 0.00 0.00 175.26 175.59 1o7c s ALA 7 N -2.77 3.11 0.51 6.30 0.00 -1.23 -4.93 121.76 122.75 1o7c s ALA 7 Ca 0.24 -0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.29 1o7c s ALA 7 Cb 0.07 -3.06 1.34 0.00 0.00 0.00 0.00 23.12 21.47 1o7c s ALA 7 CO 0.12 -0.67 2.13 0.00 0.00 0.00 0.00 175.76 177.34 1o7c h ARG 8 N -0.28 0.00 0.00 0.00 2.47 -2.01 -3.10 114.38 111.46 1o7c h ARG 8 Ca -0.44 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.01 1o7c h ARG 8 Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1o7c h ARG 8 CO 0.62 0.05 -1.47 -1.13 0.56 0.00 0.00 179.97 178.60 1o7c n SER 9 N -4.26 1.88 0.00 7.04 3.41 -1.26 -5.09 113.62 115.33 1o7c n SER 9 Ca -0.03 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1o7c n SER 9 Cb 0.14 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o7c n GLY 10 N 1.40 -0.10 3.55 5.00 0.00 -1.17 -5.15 105.19 108.72 1o7c n GLY 10 Ca -0.36 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 -0.41 -1.50 1.61 2.20 -1.26 -3.48 119.74 114.90 1o7c s LYS 11 Ca 0.00 0.86 -0.04 0.00 -0.36 0.00 0.00 55.97 56.43 1o7c s LYS 11 Cb 0.00 -1.61 0.04 0.00 -1.51 0.00 0.00 37.83 34.75 1o7c s LYS 11 CO 0.00 -3.39 0.42 0.66 -0.36 0.00 0.00 175.35 172.68 1o7c n TYR 12 N -4.68 -1.59 -1.17 4.03 4.02 -1.14 -4.79 117.16 111.84 1o7c n TYR 12 Ca 0.04 0.73 0.00 0.00 -0.01 0.00 0.00 57.90 58.67 1o7c n TYR 12 Cb 0.55 -3.38 0.00 0.00 -0.02 0.00 0.00 39.34 36.49 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 -4.43 0.00 -4.17 -0.72 5.02 -0.88 -4.13 118.16 108.86 1o7c n LYS 13 Ca -0.23 -0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 55.61 1o7c n LYS 13 Cb 0.64 -0.41 -0.08 0.00 -0.02 0.00 0.00 35.03 35.16 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 3.89 0.08 -0.35 1.43 -0.18 -4.80 118.68 118.74 1o7c s LEU 14 Ca 0.00 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1o7c s LEU 14 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1o7c s LEU 14 CO 0.00 0.37 0.02 0.42 0.23 0.00 0.00 176.35 177.39 1o7c s THR 15 N -0.82 4.17 0.24 5.49 -4.23 -1.26 -1.80 115.64 117.44 1o7c s THR 15 Ca 0.13 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.83 1o7c s THR 15 Cb -0.12 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1o7c s THR 15 CO 0.03 0.14 1.11 0.00 -0.54 0.00 0.00 174.62 175.35 1o7c n TYR 16 N 0.58 0.66 -0.05 3.99 9.36 -1.23 0.24 117.16 130.72 1o7c n TYR 16 Ca -0.10 0.84 -0.16 0.00 3.32 0.00 0.00 57.90 61.80 1o7c n TYR 16 Cb 0.52 -1.16 -0.07 0.00 -0.63 0.00 0.00 39.34 38.00 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 1.41 0.32 -0.22 2.98 0.00 -1.94 -2.36 119.26 119.44 1o7c h ALA 17 Ca 0.53 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1o7c h ALA 17 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1o7c h ALA 17 CO -0.59 0.53 -0.18 0.93 0.00 0.00 0.00 179.25 179.94 1o7c h GLU 18 N 0.41 0.52 -0.92 0.00 5.08 0.27 -0.37 114.58 119.56 1o7c h GLU 18 Ca -0.02 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1o7c h GLU 18 Cb 1.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1o7c h GLU 18 CO 0.12 0.83 0.60 0.00 -1.00 0.00 0.00 179.01 179.55 1o7c h ALA 19 N 0.68 1.58 0.02 3.43 0.00 0.78 -1.31 119.26 124.44 1o7c h ALA 19 Ca 0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1o7c h ALA 19 Cb 0.72 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1o7c h ALA 19 CO 0.05 0.24 -1.02 -0.22 0.00 0.00 0.00 179.25 178.29 1o7c h LYS 20 N 0.95 0.49 -0.86 0.00 3.64 -1.30 -2.34 116.57 117.15 1o7c h LYS 20 Ca 0.43 -0.56 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1o7c h LYS 20 Cb 0.37 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1o7c h LYS 20 CO -0.19 1.20 0.57 0.00 -2.27 0.00 0.00 179.45 178.76 1o7c h ALA 21 N 0.60 1.41 0.04 5.00 0.00 -0.08 0.64 119.26 126.87 1o7c h ALA 21 Ca -0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1o7c h ALA 21 Cb 1.67 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1o7c h ALA 21 CO 0.18 0.53 -0.02 0.28 0.00 0.00 0.00 179.25 180.22 1o7c h VAL 22 N 1.14 1.16 0.00 0.00 2.07 -1.31 0.43 116.25 119.74 1o7c h VAL 22 Ca 0.33 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 1o7c h VAL 22 Cb -0.08 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1o7c h VAL 22 CO -0.08 0.36 -0.16 0.00 0.02 0.00 0.00 177.57 177.71 1o7c n GLU 24 N -4.11 0.17 -0.30 0.00 2.13 0.22 -2.05 120.64 116.70 1o7c n GLU 24 Ca -0.02 -0.13 0.08 0.00 0.66 0.00 0.00 57.16 57.75 1o7c n GLU 24 Cb 0.24 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 30.69 1o7c n GLU 24 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1o7c h PHE 25 N 0.33 0.74 -2.22 4.31 3.57 0.80 -2.26 116.94 122.21 1o7c h PHE 25 Ca 0.00 0.04 -0.74 0.00 3.53 0.00 0.00 57.97 60.79 1o7c h PHE 25 Cb 0.53 -0.20 -0.31 0.00 2.79 0.00 0.00 35.95 38.76 1o7c h PHE 25 CO 0.00 0.13 0.54 0.39 -2.23 0.00 0.00 178.31 177.15 1o7c n GLU 26 N -4.91 4.62 -3.00 1.11 1.02 -1.26 -4.81 120.64 113.42 1o7c n GLU 26 Ca 0.18 -4.64 -0.18 0.00 -0.02 0.00 0.00 57.16 52.50 1o7c n GLU 26 Cb 0.48 -2.39 -0.00 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.16 -0.49 0.00 0.62 0.00 -0.85 -4.93 105.19 99.37 1o7c n GLY 27 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1o7c n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7c n GLY 28 N -1.02 3.43 3.30 -0.02 0.00 -1.13 -5.00 105.19 104.75 1o7c n GLY 28 Ca -0.06 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 1o7c n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7c s HIS 29 N 0.25 -0.52 0.04 1.61 -3.43 -0.87 -3.81 115.29 108.55 1o7c s HIS 29 Ca 0.00 1.19 -0.30 0.00 -0.80 0.00 0.00 55.06 55.15 1o7c s HIS 29 Cb 0.00 0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 31.29 1o7c s HIS 29 CO 0.00 -0.27 1.38 -0.48 -2.00 0.00 0.00 174.74 173.37 1o7c s LEU 30 N 0.65 4.34 0.97 5.38 0.05 -1.26 0.12 118.68 128.93 1o7c s LEU 30 Ca -0.03 2.16 -0.14 0.00 0.05 0.00 0.00 54.13 56.17 1o7c s LEU 30 Cb -0.05 -3.57 0.03 0.00 -2.05 0.00 0.00 46.19 40.55 1o7c s LEU 30 CO -0.04 -0.68 0.25 0.00 -0.55 0.00 0.00 176.35 175.33 1o7c n ALA 31 N 4.86 -3.04 -3.09 1.48 0.00 0.33 -4.73 120.51 116.32 1o7c n ALA 31 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1o7c n ALA 31 Cb 0.44 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1o7c n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1o7c n THR 32 N -3.61 0.00 0.00 0.00 -2.24 -1.26 -3.76 114.28 103.41 1o7c n THR 32 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1o7c n THR 32 Cb 0.55 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1o7c n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o7c n TYR 33 N -0.20 0.00 -0.32 4.78 9.36 -1.26 -1.46 117.16 128.06 1o7c n TYR 33 Ca 0.00 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.41 1o7c n TYR 33 Cb 0.00 -0.46 0.39 0.00 -0.63 0.00 0.00 39.34 38.64 1o7c n TYR 33 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1o7c h LYS 34 N 0.00 0.29 0.09 2.98 1.57 -1.99 0.21 116.57 119.72 1o7c h LYS 34 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1o7c h LYS 34 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1o7c h LYS 34 CO 0.00 0.19 -0.05 1.96 -0.57 0.00 0.00 179.45 180.98 1o7c h GLN 35 N 0.29 -0.12 -0.32 3.15 4.20 -1.98 -2.27 115.11 118.08 1o7c h GLN 35 Ca 0.65 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.46 1o7c h GLN 35 Cb 1.41 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1o7c h GLN 35 CO -0.62 0.13 0.29 1.25 -0.67 0.00 0.00 178.83 179.20 1o7c h LEU 36 N -0.36 0.00 0.58 1.46 7.12 0.45 -1.22 115.31 123.33 1o7c h LEU 36 Ca -0.01 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1o7c h LEU 36 Cb 0.30 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1o7c h LEU 36 CO 0.02 0.00 -0.28 -0.08 -0.13 0.00 0.00 178.44 177.97 1o7c h GLU 37 N 0.00 -0.75 0.00 1.25 4.57 -0.29 0.45 114.58 119.81 1o7c h GLU 37 Ca 0.15 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1o7c h GLU 37 Cb 0.72 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1o7c h GLU 37 CO -0.00 -0.50 0.04 0.00 -1.18 0.00 0.00 179.01 177.36 1o7c n ALA 38 N -2.57 0.97 -0.06 2.92 0.00 -0.83 -0.24 120.51 120.70 1o7c n ALA 38 Ca -0.10 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1o7c n ALA 38 Cb 0.31 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 1o7c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7c n ALA 39 N -1.66 1.49 0.08 0.00 0.00 -0.52 -4.00 120.51 115.89 1o7c n ALA 39 Ca -0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.32 1o7c n ALA 39 Cb 0.06 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 0.27 0.00 0.00 2.43 0.31 -1.96 114.38 115.43 1o7c h ARG 40 Ca -0.41 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1o7c h ARG 40 Cb 2.13 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 1o7c h ARG 40 CO 0.05 0.88 0.00 0.87 -1.51 0.00 0.00 179.97 180.26 1o7c h LYS 41 N 0.18 0.00 0.00 0.20 1.57 -1.24 -2.18 116.57 115.11 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 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1o7c h LYS 41 CO 0.11 0.00 -0.61 -0.84 -0.57 0.00 0.00 179.45 177.54 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 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1o7c h ILE 42 Cb 0.43 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 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 1.31 0.27 3.66 0.16 0.00 -0.83 -5.11 105.19 104.64 1o7c n GLY 43 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.89 3.34 -0.04 1.61 2.19 -0.75 -4.99 117.98 118.45 1o7c s PHE 44 Ca 0.00 1.44 0.01 0.00 0.33 0.00 0.00 56.93 58.70 1o7c s PHE 44 Cb 0.00 -3.25 0.02 0.00 -1.31 0.00 0.00 43.02 38.49 1o7c s PHE 44 CO 0.00 -0.47 -0.02 -1.58 1.83 0.00 0.00 175.22 174.98 1o7c s HIS 45 N 3.17 0.49 -0.25 10.12 5.65 -1.26 -4.28 115.29 128.92 1o7c s HIS 45 Ca 0.43 -0.08 -0.03 0.00 0.25 0.00 0.00 55.06 55.63 1o7c s HIS 45 Cb -0.15 -0.52 0.10 0.00 -1.18 0.00 0.00 32.58 30.83 1o7c s HIS 45 CO 0.06 -0.16 0.19 0.08 -0.65 0.00 0.00 174.74 174.26 1o7c s VAL 46 N 1.02 -0.23 -1.12 0.89 1.01 -1.18 -5.04 120.40 115.75 1o7c s VAL 46 Ca -0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1o7c s VAL 46 Cb -0.14 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 1o7c s VAL 46 CO -0.01 -0.48 2.20 0.00 0.00 0.00 0.00 175.10 176.82 1o7c s ALA 48 N 3.73 -2.20 -0.26 0.00 0.00 -1.26 -5.05 121.76 116.72 1o7c s ALA 48 Ca 0.52 1.79 -0.32 0.00 0.00 0.00 0.00 51.96 53.95 1o7c s ALA 48 Cb 0.14 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 1o7c s ALA 48 CO 0.00 -0.17 2.16 0.00 0.00 0.00 0.00 175.76 177.75 1o7c n ALA 49 N 2.02 1.33 -3.19 0.00 0.00 -1.26 -4.73 120.51 114.68 1o7c n ALA 49 Ca -0.12 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 1o7c n ALA 49 Cb 0.57 -2.69 -0.13 0.00 0.00 0.00 0.00 19.45 17.20 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 7.24 1.80 0.64 0.00 0.00 -0.34 -0.11 107.32 116.54 1o7c s GLY 50 Ca 1.04 -1.51 -0.17 0.00 0.00 0.00 0.00 44.72 44.07 1o7c s GLY 50 CO 0.44 0.67 0.28 0.79 0.00 0.00 0.00 173.10 175.29 1o7c n TRP 51 N 4.86 -1.55 -3.80 1.90 7.02 -1.06 -3.67 117.44 121.13 1o7c n TRP 51 Ca -0.14 0.38 -0.01 0.00 -1.02 0.00 0.00 57.50 56.71 1o7c n TRP 51 Cb 0.47 -1.84 0.00 0.00 -2.42 0.00 0.00 31.31 27.52 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 -2.07 0.86 1.59 -0.99 0.23 0.17 -3.83 119.30 115.26 1o7c s MET 52 Ca 0.63 -0.52 0.00 0.00 -1.03 0.00 0.00 55.69 54.77 1o7c s MET 52 Cb -0.40 0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.16 1o7c s MET 52 CO 0.60 -0.40 0.00 0.00 -2.03 0.00 0.00 175.02 173.19 1o7c n ALA 53 N -0.63 0.00 0.58 3.16 0.00 -1.25 0.09 120.51 122.47 1o7c n ALA 53 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1o7c n ALA 53 Cb 0.61 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.85 0.29 0.00 0.00 4.76 -1.26 -4.30 118.16 116.81 1o7c n LYS 54 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1o7c n LYS 54 Cb 0.00 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1o7c n GLY 55 N -0.41 -0.16 3.68 0.72 0.00 -1.04 -5.13 105.19 102.84 1o7c n GLY 55 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 4.22 -0.15 1.61 0.52 0.11 -4.50 118.95 120.76 1o7c s ARG 56 Ca 0.00 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 1o7c s ARG 56 Cb 0.00 -3.53 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 1o7c s ARG 56 CO 0.00 -0.07 -0.16 0.54 0.02 0.00 0.00 175.30 175.63 1o7c s VAL 57 N 1.39 2.67 0.00 3.52 0.11 -1.26 -0.65 120.40 126.17 1o7c s VAL 57 Ca 0.24 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1o7c s VAL 57 Cb -0.15 -2.12 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 1o7c s VAL 57 CO 0.10 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1o7c n GLY 58 N 3.94 4.30 2.49 6.54 0.00 -1.24 -4.39 105.19 116.83 1o7c n GLY 58 Ca -0.19 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.39 0.70 -0.10 1.61 2.02 -0.79 -1.20 117.35 118.20 1o7c s TYR 59 Ca 0.00 -1.52 -0.30 0.00 -0.37 0.00 0.00 57.07 54.89 1o7c s TYR 59 Cb 0.00 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1o7c s TYR 59 CO 0.00 -0.83 1.07 -1.25 -1.57 0.00 0.00 175.55 172.97 1o7c s PRO 60 N 1.24 4.39 -0.28 -1.71 0.04 -1.26 -2.14 135.00 135.28 1o7c s PRO 60 Ca 0.16 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1o7c s PRO 60 Cb -0.22 -3.55 0.10 0.00 0.04 0.00 0.00 34.50 30.86 1o7c s PRO 60 CO -0.06 -0.38 0.11 0.42 0.04 0.00 0.00 177.00 177.13 1o7c s ILE 61 N 2.15 0.30 -0.28 0.56 -1.09 -1.16 -3.12 121.20 118.56 1o7c s ILE 61 Ca 0.51 -0.94 0.28 0.00 -2.23 0.00 0.00 60.65 58.27 1o7c s ILE 61 Cb -0.20 -1.20 0.33 0.00 -1.58 0.00 0.00 42.46 39.81 1o7c s ILE 61 CO 0.19 -0.65 1.81 0.58 -1.23 0.00 0.00 174.94 175.63 1o7c h VAL 62 N 6.45 0.00 -3.33 2.92 2.07 -1.88 -3.32 116.25 119.15 1o7c h VAL 62 Ca -0.17 -0.54 -0.64 0.00 0.82 0.00 0.00 66.70 66.17 1o7c h VAL 62 Cb 1.03 1.48 -0.41 0.00 -1.52 0.00 0.00 31.29 31.87 1o7c h VAL 62 CO 0.44 0.00 -0.66 -0.54 0.02 0.00 0.00 177.57 176.83 1o7c s LYS 63 N -3.40 1.78 0.09 1.57 1.02 -1.26 -5.00 119.74 114.53 1o7c s LYS 63 Ca 0.04 -2.41 -0.35 0.00 0.02 0.00 0.00 55.97 53.27 1o7c s LYS 63 Cb 0.09 -3.10 -0.15 0.00 -0.52 0.00 0.00 37.83 34.14 1o7c s LYS 63 CO 0.54 -1.10 1.50 -2.30 -0.92 0.00 0.00 175.35 173.07 1o7c n PRO 64 N 3.33 1.67 -2.32 -1.68 -0.02 -1.26 -4.83 135.00 129.89 1o7c n PRO 64 Ca 0.05 0.60 -0.06 0.00 -2.02 0.00 0.00 63.50 62.08 1o7c n PRO 64 Cb 0.34 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1o7c n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o7c n GLY 65 N 3.12 3.71 0.00 -1.23 0.00 -1.26 -4.76 105.19 104.78 1o7c n GLY 65 Ca 0.18 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.41 0.00 -0.02 1.61 -0.04 -1.26 -1.29 135.00 133.58 1o7c n PRO 66 Ca -0.03 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1o7c n PRO 66 Cb 0.12 -0.85 -0.16 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.68 0.19 0.00 3.54 6.94 -1.26 -3.57 115.26 120.43 1o7c n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1o7c n ASN 67 Cb 0.00 1.83 0.00 0.00 -2.36 0.00 0.00 39.78 39.25 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 -0.39 -1.47 2.65 0.00 0.00 -1.26 -4.91 105.19 99.81 1o7c n GLY 69 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1o7c n GLY 69 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7c n PHE 70 N -1.50 -1.40 -1.80 1.61 7.35 -1.21 -1.12 117.46 119.40 1o7c n PHE 70 Ca 0.07 0.21 -0.16 0.00 -0.76 0.00 0.00 57.45 56.81 1o7c n PHE 70 Cb 0.34 -4.19 -0.04 0.00 0.35 0.00 0.00 39.48 35.94 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1o7c n GLY 71 N -1.22 0.85 3.87 7.13 0.00 -0.41 -4.93 105.19 110.48 1o7c n GLY 71 Ca -0.19 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.93 3.81 -0.07 1.61 1.02 -0.28 -4.93 119.74 116.97 1o7c s LYS 72 Ca 0.00 0.33 0.04 0.00 0.02 0.00 0.00 55.97 56.36 1o7c s LYS 72 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1o7c s LYS 72 CO 0.00 0.21 -0.19 0.95 -0.92 0.00 0.00 175.35 175.41 1o7c s THR 73 N -1.98 1.61 0.00 2.17 -4.23 -1.26 -4.32 115.64 107.63 1o7c s THR 73 Ca 0.49 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1o7c s THR 73 Cb -0.11 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1o7c s THR 73 CO 0.24 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1o7c n GLY 74 N 3.52 -3.03 3.56 3.99 0.00 -1.25 -4.75 105.19 107.23 1o7c n GLY 74 Ca -0.20 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.59 3.95 -0.97 -0.61 -1.09 -1.26 -2.98 121.20 117.65 1o7c s ILE 75 Ca 0.00 -0.83 -0.26 0.00 -2.23 0.00 0.00 60.65 57.33 1o7c s ILE 75 Cb 0.00 -5.06 -0.16 0.00 -1.58 0.00 0.00 42.46 35.66 1o7c s ILE 75 CO 0.00 -1.93 2.18 -0.63 -1.23 0.00 0.00 174.94 173.33 1o7c s ILE 76 N 4.88 3.12 -0.05 2.92 -1.09 -0.91 -4.64 121.20 125.43 1o7c s ILE 76 Ca 0.46 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.76 1o7c s ILE 76 Cb -0.00 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1o7c s ILE 76 CO -0.09 -0.24 -0.19 -0.62 -1.23 0.00 0.00 174.94 172.57 1o7c s ASP 77 N 9.09 3.65 -0.27 3.58 2.15 -1.26 -1.88 116.67 131.73 1o7c s ASP 77 Ca 0.83 -0.32 0.10 0.00 0.43 0.00 0.00 52.55 53.59 1o7c s ASP 77 Cb -0.07 -0.81 0.50 0.00 -0.30 0.00 0.00 42.92 42.24 1o7c s ASP 77 CO 0.12 0.31 1.45 -1.22 -0.17 0.00 0.00 175.17 175.65 1o7c n TYR 78 N 2.57 1.03 -0.85 -5.34 4.02 -1.26 -5.04 117.16 112.28 1o7c n TYR 78 Ca -0.17 -1.46 0.11 0.00 -0.01 0.00 0.00 57.90 56.37 1o7c n TYR 78 Cb 0.52 -0.45 -0.04 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.03 -2.50 3.68 2.72 0.00 -1.26 -4.83 105.19 101.97 1o7c n GLY 79 Ca 0.31 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.54 3.85 -1.15 -0.61 5.41 -1.26 -4.67 119.36 117.39 1o7c n ILE 80 Ca -0.03 -0.50 0.07 0.00 1.00 0.00 0.00 62.75 63.29 1o7c n ILE 80 Cb 0.40 -1.40 0.20 0.00 -0.71 0.00 0.00 39.64 38.13 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 -1.05 2.07 -4.05 0.38 5.12 -1.26 -4.98 116.66 112.88 1o7c n ARG 81 Ca 0.12 -2.85 -0.32 0.00 -1.93 0.00 0.00 57.85 52.87 1o7c n ARG 81 Cb 0.46 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 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 -0.99 -1.54 -2.71 0.55 7.99 -1.26 -4.88 117.00 114.16 1o7c n LEU 82 Ca 0.21 -1.15 -0.07 0.00 -0.01 0.00 0.00 56.01 54.99 1o7c n LEU 82 Cb 0.82 -1.94 0.09 0.00 -0.11 0.00 0.00 43.42 42.28 1o7c n LEU 82 CO 0.10 0.53 0.45 -0.46 -1.51 0.00 0.00 177.39 176.49 1o7c n ASN 83 N -2.75 -2.04 0.00 -1.43 6.94 -1.26 -4.97 115.26 109.75 1o7c n ASN 83 Ca -0.25 -3.01 0.00 0.00 -0.02 0.00 0.00 54.58 51.30 1o7c n ASN 83 Cb 0.65 1.62 0.00 0.00 -2.36 0.00 0.00 39.78 39.70 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1o7c n ARG 84 N 0.64 0.00 -0.08 -3.83 3.00 -1.26 -1.75 116.66 113.38 1o7c n ARG 84 Ca 0.03 0.16 0.01 0.00 -0.01 0.00 0.00 57.85 58.03 1o7c n ARG 84 Cb 0.71 -1.51 0.04 0.00 0.00 0.00 0.00 32.46 31.69 1o7c n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1o7c n SER 85 N -1.13 1.21 -2.53 0.55 2.88 -1.26 -3.56 113.62 109.78 1o7c n SER 85 Ca 0.00 -2.07 -0.07 0.00 -1.33 0.00 0.00 58.87 55.40 1o7c n SER 85 Cb 0.01 -0.41 0.05 0.00 -0.75 0.00 0.00 64.21 63.12 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 -0.02 -0.57 -3.65 -1.46 -0.58 -0.72 -5.03 120.64 108.61 1o7c n GLU 86 Ca 0.03 -0.50 -0.24 0.00 -0.42 0.00 0.00 57.16 56.02 1o7c n GLU 86 Cb 0.28 -0.36 -0.17 0.00 -0.57 0.00 0.00 31.44 30.62 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 -3.71 0.13 0.00 3.49 1.04 -1.26 -4.26 118.95 114.38 1o7c s ARG 87 Ca 0.19 0.02 0.00 0.00 -1.04 0.00 0.00 55.73 54.89 1o7c s ARG 87 Cb -0.01 -1.45 0.00 0.00 -2.04 0.00 0.00 34.95 31.45 1o7c s ARG 87 CO 0.13 -0.55 0.00 0.91 -0.04 0.00 0.00 175.30 175.75 1o7c n TRP 88 N 5.25 0.00 -2.75 5.89 7.02 -0.74 -4.41 117.44 127.69 1o7c n TRP 88 Ca -0.06 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.39 1o7c n TRP 88 Cb 0.49 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.39 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 0.23 -3.81 -0.99 8.00 0.84 -1.01 116.55 119.81 1o7c n ASP 89 Ca 0.00 -1.18 -0.13 0.00 0.71 0.00 0.00 54.79 54.20 1o7c n ASP 89 Cb 0.00 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.34 -0.27 -0.27 2.24 0.00 -0.82 -2.56 121.76 117.74 1o7c s ALA 90 Ca 0.08 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1o7c s ALA 90 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1o7c s ALA 90 CO 0.05 -0.07 0.17 0.71 0.00 0.00 0.00 175.76 176.62 1o7c s TYR 91 N 0.29 3.20 0.09 0.00 2.02 -1.25 -0.34 117.35 121.36 1o7c s TYR 91 Ca -0.02 0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 1o7c s TYR 91 Cb -0.03 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 1o7c s TYR 91 CO -0.01 -0.18 0.34 0.00 -1.57 0.00 0.00 175.55 174.13 1o7c s TYR 93 N -1.50 0.31 -0.20 0.00 6.14 0.12 -0.35 117.35 121.87 1o7c s TYR 93 Ca 0.35 -0.03 -0.17 0.00 0.64 0.00 0.00 57.07 57.87 1o7c s TYR 93 Cb -0.13 -0.32 0.06 0.00 0.42 0.00 0.00 41.96 41.98 1o7c s TYR 93 CO 0.21 -0.08 0.53 -0.80 0.64 0.00 0.00 175.55 176.05 1o7c s ASN 94 N 0.57 -0.59 0.48 4.32 0.01 -0.28 -2.33 114.94 117.12 1o7c s ASN 94 Ca -0.06 1.08 0.27 0.00 -0.71 0.00 0.00 52.86 53.45 1o7c s ASN 94 Cb -0.09 1.06 1.33 0.00 0.41 0.00 0.00 41.25 43.97 1o7c s ASN 94 CO -0.01 -0.19 1.82 -0.65 -1.51 0.00 0.00 177.10 176.56 1o7c h PRO 95 N 5.75 0.17 0.00 -0.60 0.11 -1.97 -2.98 132.00 132.49 1o7c h PRO 95 Ca -0.29 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1o7c h PRO 95 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1o7c h PRO 95 CO 0.19 0.12 -1.12 0.72 -0.21 0.00 0.00 178.00 177.70 1o7c n HIS 96 N -4.39 0.00 -3.22 0.65 8.25 -1.26 -4.58 115.22 110.66 1o7c n HIS 96 Ca 0.23 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.55 1o7c n HIS 96 Cb 0.99 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 -2.27 -1.94 0.59 -1.41 0.00 -1.13 -4.96 120.51 109.41 1o7c n ALA 97 Ca -0.03 -0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.32 1o7c n ALA 97 Cb 0.55 -0.41 0.06 0.00 0.00 0.00 0.00 19.45 19.65 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67