#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 4.98 0.33 1.61 0.11 -1.26 -2.03 120.40 124.14 1o7c s VAL 2 Ca 0.00 0.73 0.03 0.00 -2.93 0.00 0.00 61.98 59.81 1o7c s VAL 2 Cb 0.00 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1o7c s VAL 2 CO 0.00 0.39 0.35 -0.72 -3.33 0.00 0.00 175.10 171.79 1o7c s TYR 3 N -1.29 1.45 0.30 1.54 1.13 0.21 -4.98 117.35 115.70 1o7c s TYR 3 Ca 0.31 -1.50 0.01 0.00 -1.41 0.00 0.00 57.07 54.48 1o7c s TYR 3 Cb -0.15 -0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 40.22 1o7c s TYR 3 CO 0.17 -0.96 0.48 -1.58 -2.51 0.00 0.00 175.55 171.14 1o7c s HIS 4 N -3.33 3.48 -0.00 -3.49 5.65 -1.26 -1.22 115.29 115.12 1o7c s HIS 4 Ca 0.37 0.26 -0.17 0.00 0.25 0.00 0.00 55.06 55.77 1o7c s HIS 4 Cb 0.02 -1.81 0.03 0.00 -1.18 0.00 0.00 32.58 29.63 1o7c s HIS 4 CO 0.24 0.24 0.37 0.50 -0.65 0.00 0.00 174.74 175.44 1o7c s ARG 5 N -4.07 0.77 0.42 2.88 6.06 0.12 -4.76 118.95 120.37 1o7c s ARG 5 Ca 0.38 -0.21 0.04 0.00 -2.50 0.00 0.00 55.73 53.44 1o7c s ARG 5 Cb -0.10 0.34 -0.05 0.00 0.06 0.00 0.00 34.95 35.20 1o7c s ARG 5 CO 0.33 -0.23 0.03 -2.00 -2.50 0.00 0.00 175.30 170.93 1o7c s GLU 6 N -1.66 1.95 0.41 5.12 2.12 -1.26 -2.32 118.70 123.06 1o7c s GLU 6 Ca -0.11 -2.15 -0.06 0.00 0.36 0.00 0.00 54.97 53.01 1o7c s GLU 6 Cb -0.03 -1.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.99 1o7c s GLU 6 CO 0.03 -0.21 0.72 0.00 -0.54 0.00 0.00 175.26 175.25 1o7c s ALA 7 N -2.94 3.46 0.26 6.30 0.00 -1.25 -4.96 121.76 122.63 1o7c s ALA 7 Ca 0.26 -0.48 0.37 0.00 0.00 0.00 0.00 51.96 52.11 1o7c s ALA 7 Cb 0.07 -2.52 1.71 0.00 0.00 0.00 0.00 23.12 22.38 1o7c s ALA 7 CO 0.13 -0.12 2.10 0.00 0.00 0.00 0.00 175.76 177.87 1o7c h ARG 8 N 0.80 0.00 0.00 0.00 2.47 -2.01 -2.24 114.38 113.41 1o7c h ARG 8 Ca -0.47 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.09 1o7c h ARG 8 Cb 1.20 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.49 1o7c h ARG 8 CO 0.63 0.00 -1.66 0.43 0.56 0.00 0.00 179.97 179.93 1o7c n SER 9 N -3.03 0.54 0.00 7.04 7.64 -1.26 -5.08 113.62 119.48 1o7c n SER 9 Ca -0.01 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1o7c n SER 9 Cb 0.22 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.41 3.57 3.65 0.23 0.00 -0.84 -5.09 105.19 108.11 1o7c n GLY 10 Ca -0.12 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1o7c n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7c n LYS 11 N -1.97 0.20 -3.42 1.61 4.81 -1.26 -3.62 118.16 114.52 1o7c n LYS 11 Ca 0.00 0.14 -0.18 0.00 -0.87 0.00 0.00 58.31 57.40 1o7c n LYS 11 Cb 0.00 -2.33 0.07 0.00 0.02 0.00 0.00 35.03 32.79 1o7c n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1o7c n TYR 12 N -3.16 -2.23 -1.62 5.64 4.02 -0.41 -4.89 117.16 114.50 1o7c n TYR 12 Ca 0.13 0.87 0.00 0.00 -0.01 0.00 0.00 57.90 58.88 1o7c n TYR 12 Cb 0.50 -4.54 0.00 0.00 -0.02 0.00 0.00 39.34 35.28 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 -3.83 0.00 -4.12 -0.72 5.02 -0.70 -4.32 118.16 109.49 1o7c n LYS 13 Ca -0.20 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.67 1o7c n LYS 13 Cb 0.65 -0.19 -0.09 0.00 -0.02 0.00 0.00 35.03 35.38 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 3.82 0.10 -0.35 1.43 -1.04 -4.83 118.68 117.80 1o7c s LEU 14 Ca 0.00 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1o7c s LEU 14 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1o7c s LEU 14 CO 0.00 0.28 0.09 0.42 0.23 0.00 0.00 176.35 177.37 1o7c s THR 15 N -0.28 4.52 0.26 5.49 -4.23 -1.26 -2.39 115.64 117.74 1o7c s THR 15 Ca 0.08 -0.83 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 1o7c s THR 15 Cb -0.12 -3.20 0.28 0.00 1.34 0.00 0.00 72.50 70.80 1o7c s THR 15 CO 0.02 0.08 1.17 0.00 -0.54 0.00 0.00 174.62 175.35 1o7c n TYR 16 N 0.31 0.73 -0.05 3.99 9.36 -1.22 0.22 117.16 130.51 1o7c n TYR 16 Ca -0.09 0.88 -0.16 0.00 3.32 0.00 0.00 57.90 61.86 1o7c n TYR 16 Cb 0.52 -1.22 -0.07 0.00 -0.63 0.00 0.00 39.34 37.94 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 1.49 0.29 -0.13 2.98 0.00 -1.94 -2.49 119.26 119.46 1o7c h ALA 17 Ca 0.57 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1o7c h ALA 17 Cb 1.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1o7c h ALA 17 CO -0.62 0.49 -0.13 0.93 0.00 0.00 0.00 179.25 179.92 1o7c h GLU 18 N 0.33 0.33 -0.87 0.00 5.08 0.24 -2.29 114.58 117.40 1o7c h GLU 18 Ca -0.02 -0.17 0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1o7c h GLU 18 Cb 1.14 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1o7c h GLU 18 CO 0.11 0.72 0.47 0.00 -1.00 0.00 0.00 179.01 179.31 1o7c h ALA 19 N 0.60 1.31 -0.25 3.43 0.00 0.99 0.69 119.26 126.04 1o7c h ALA 19 Ca 0.02 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1o7c h ALA 19 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1o7c h ALA 19 CO 0.03 -0.03 -0.30 -0.22 0.00 0.00 0.00 179.25 178.73 1o7c h LYS 20 N 0.69 0.50 -0.52 0.00 3.64 -1.37 -2.70 116.57 116.81 1o7c h LYS 20 Ca 0.46 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1o7c h LYS 20 Cb 0.61 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1o7c h LYS 20 CO -0.34 0.75 0.17 0.00 -2.27 0.00 0.00 179.45 177.76 1o7c h ALA 21 N 1.25 1.32 0.05 5.00 0.00 -0.30 0.24 119.26 126.82 1o7c h ALA 21 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1o7c h ALA 21 Cb 0.74 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1o7c h ALA 21 CO 0.06 0.50 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 1o7c h VAL 22 N 0.76 1.23 0.34 0.00 2.07 -1.08 0.14 116.25 119.71 1o7c h VAL 22 Ca 0.18 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1o7c h VAL 22 Cb 0.21 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1o7c h VAL 22 CO -0.01 0.25 -0.16 0.00 0.02 0.00 0.00 177.57 177.67 1o7c h GLU 24 N -0.68 0.00 -0.41 0.00 4.81 -0.13 0.71 114.58 118.88 1o7c h GLU 24 Ca -0.05 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1o7c h GLU 24 Cb 0.48 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1o7c h GLU 24 CO 0.08 0.00 0.04 0.35 -0.73 0.00 0.00 179.01 178.74 1o7c h PHE 25 N 0.00 0.05 -2.00 0.92 3.57 -0.20 -2.71 116.94 116.56 1o7c h PHE 25 Ca 0.00 0.03 -0.70 0.00 3.53 0.00 0.00 57.97 60.83 1o7c h PHE 25 Cb 0.11 0.04 -0.34 0.00 2.79 0.00 0.00 35.95 38.55 1o7c h PHE 25 CO 0.00 -0.04 0.29 0.39 -2.23 0.00 0.00 178.31 176.72 1o7c n GLU 26 N -5.15 3.69 -2.67 1.11 1.02 -1.00 -4.84 120.64 112.80 1o7c n GLU 26 Ca 0.03 -4.31 -0.16 0.00 -0.02 0.00 0.00 57.16 52.70 1o7c n GLU 26 Cb 0.20 -2.31 -0.00 0.00 -0.02 0.00 0.00 31.44 29.31 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 -0.35 -0.50 3.98 0.62 0.00 -1.02 -4.95 105.19 102.97 1o7c n GLY 27 Ca 0.44 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.22 1.80 -0.01 -0.02 0.00 0.25 -4.93 107.32 102.18 1o7c s GLY 28 Ca 0.10 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.25 1o7c s GLY 28 CO 0.13 -1.46 -0.07 -2.38 0.00 0.00 0.00 173.10 169.31 1o7c s HIS 29 N -2.28 0.73 0.29 1.90 -3.43 -0.25 -2.36 115.29 109.89 1o7c s HIS 29 Ca 0.49 -0.15 -0.29 0.00 -0.80 0.00 0.00 55.06 54.31 1o7c s HIS 29 Cb -0.09 -0.50 -0.14 0.00 -1.43 0.00 0.00 32.58 30.42 1o7c s HIS 29 CO 0.31 -0.05 1.13 -0.11 -2.00 0.00 0.00 174.74 174.03 1o7c n LEU 30 N 3.09 2.38 -4.90 5.38 0.00 -1.26 0.28 117.00 121.97 1o7c n LEU 30 Ca -0.15 1.18 -0.29 0.00 0.00 0.00 0.00 56.01 56.75 1o7c n LEU 30 Cb 0.56 -1.35 0.06 0.00 0.00 0.00 0.00 43.42 42.69 1o7c n LEU 30 CO 0.25 -1.06 0.72 0.00 0.00 0.00 0.00 177.39 177.30 1o7c s ALA 31 N -0.92 2.91 0.26 1.96 0.00 0.16 -4.70 121.76 121.42 1o7c s ALA 31 Ca 0.59 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1o7c s ALA 31 Cb -0.67 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 1o7c s ALA 31 CO 0.59 -1.24 0.01 0.25 0.00 0.00 0.00 175.76 175.37 1o7c n THR 32 N -3.02 0.00 0.00 0.00 -2.24 -1.26 -2.20 114.28 105.55 1o7c n THR 32 Ca 0.07 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1o7c n THR 32 Cb 0.58 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.65 0.00 -0.33 4.78 9.36 -1.26 -1.18 117.16 127.88 1o7c n TYR 33 Ca -0.10 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.30 1o7c n TYR 33 Cb 0.33 -0.48 0.39 0.00 -0.63 0.00 0.00 39.34 38.96 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 0.40 -0.22 2.98 1.57 -2.00 0.18 116.57 119.47 1o7c h LYS 34 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1o7c h LYS 34 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1o7c h LYS 34 CO 0.00 0.27 0.08 1.96 -0.57 0.00 0.00 179.45 181.18 1o7c h GLN 35 N 0.41 0.34 -0.47 3.15 4.20 -1.97 -2.27 115.11 118.49 1o7c h GLN 35 Ca 0.65 -0.07 0.12 0.00 0.06 0.00 0.00 58.65 59.42 1o7c h GLN 35 Cb 1.35 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1o7c h GLN 35 CO -0.55 0.41 0.34 -0.07 -0.67 0.00 0.00 178.83 178.28 1o7c h LEU 36 N 0.20 0.08 0.63 1.46 -0.00 0.82 -1.49 115.31 117.02 1o7c h LEU 36 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1o7c h LEU 36 Cb 0.21 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 40.86 1o7c h LEU 36 CO -0.00 0.05 -0.30 -0.33 -0.00 0.00 0.00 178.44 177.85 1o7c h GLU 37 N 0.09 -0.81 0.00 1.13 5.08 -0.78 0.28 114.58 119.57 1o7c h GLU 37 Ca 0.23 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1o7c h GLU 37 Cb 0.78 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1o7c h GLU 37 CO -0.02 -0.54 0.30 0.00 -1.00 0.00 0.00 179.01 177.75 1o7c h ALA 38 N -1.31 1.28 0.01 3.43 0.00 -1.00 0.74 119.26 122.40 1o7c h ALA 38 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1o7c h ALA 38 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1o7c h ALA 38 CO 0.14 -0.28 -1.93 0.00 0.00 0.00 0.00 179.25 177.18 1o7c n ALA 39 N -1.81 1.46 0.08 0.00 0.00 -0.61 -3.96 120.51 115.67 1o7c n ALA 39 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 53.44 52.44 1o7c n ALA 39 Cb 0.34 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.25 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 0.25 0.00 0.00 1.12 0.41 -1.81 114.38 114.34 1o7c h ARG 40 Ca -0.37 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.31 1o7c h ARG 40 Cb 2.08 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 32.07 1o7c h ARG 40 CO 0.06 0.81 0.00 0.87 -3.11 0.00 0.00 179.97 178.60 1o7c h LYS 41 N 0.18 0.00 0.00 0.20 1.57 -0.76 -2.03 116.57 115.73 1o7c h LYS 41 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1o7c h LYS 41 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1o7c h LYS 41 CO 0.10 0.00 -0.47 0.44 -0.57 0.00 0.00 179.45 178.95 1o7c n ILE 42 N -2.81 0.07 0.00 1.86 -5.35 -1.08 -4.89 119.36 107.16 1o7c n ILE 42 Ca 0.01 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1o7c n ILE 42 Cb 0.27 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1o7c n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1o7c n GLY 43 N 1.47 1.42 3.69 3.28 0.00 -0.77 -5.11 105.19 109.17 1o7c n GLY 43 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.76 3.50 -0.13 1.61 5.36 -0.70 -4.99 117.98 120.87 1o7c s PHE 44 Ca 0.00 1.45 -0.06 0.00 -0.96 0.00 0.00 56.93 57.37 1o7c s PHE 44 Cb 0.00 -3.09 0.06 0.00 -0.34 0.00 0.00 43.02 39.65 1o7c s PHE 44 CO 0.00 -0.18 0.28 -1.58 -1.46 0.00 0.00 175.22 172.28 1o7c s HIS 45 N 1.85 -0.42 -0.28 10.12 5.65 -1.26 -4.24 115.29 126.71 1o7c s HIS 45 Ca 0.44 0.96 -0.02 0.00 0.25 0.00 0.00 55.06 56.69 1o7c s HIS 45 Cb -0.18 0.06 0.12 0.00 -1.18 0.00 0.00 32.58 31.41 1o7c s HIS 45 CO 0.17 -0.30 0.26 0.14 -0.65 0.00 0.00 174.74 174.35 1o7c s VAL 46 N 1.74 -0.33 -1.18 0.89 -7.23 -1.26 -5.03 120.40 107.99 1o7c s VAL 46 Ca -0.05 -0.49 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 1o7c s VAL 46 Cb -0.11 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.83 1o7c s VAL 46 CO -0.09 -0.48 1.90 0.00 -0.31 0.00 0.00 175.10 176.12 1o7c s ALA 48 N 8.99 -3.55 -0.47 0.00 0.00 -1.26 -5.10 121.76 120.38 1o7c s ALA 48 Ca 0.64 1.60 -0.43 0.00 0.00 0.00 0.00 51.96 53.77 1o7c s ALA 48 Cb 0.02 -2.42 -0.18 0.00 0.00 0.00 0.00 23.12 20.53 1o7c s ALA 48 CO 0.12 -1.15 1.60 0.00 0.00 0.00 0.00 175.76 176.33 1o7c n ALA 49 N 4.83 -0.93 -3.64 0.00 0.00 -1.26 -4.68 120.51 114.82 1o7c n ALA 49 Ca -0.07 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 1o7c n ALA 49 Cb 0.56 -1.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.03 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 3.42 1.48 0.51 0.00 0.00 -0.64 0.30 107.32 112.40 1o7c s GLY 50 Ca 1.01 -1.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 1o7c s GLY 50 CO 0.73 0.19 0.99 0.79 0.00 0.00 0.00 173.10 175.79 1o7c n TRP 51 N 4.38 1.01 -3.85 1.90 7.02 -1.07 -3.45 117.44 123.38 1o7c n TRP 51 Ca -0.19 0.49 -0.06 0.00 -1.02 0.00 0.00 57.50 56.72 1o7c n TRP 51 Cb 0.51 -2.19 0.02 0.00 -2.42 0.00 0.00 31.31 27.23 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 -2.36 1.70 1.32 -0.99 0.23 0.30 -3.29 119.30 116.21 1o7c s MET 52 Ca 0.69 -1.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.26 1o7c s MET 52 Cb -0.48 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.30 1o7c s MET 52 CO 0.53 -0.80 0.00 0.00 -2.03 0.00 0.00 175.02 172.72 1o7c n ALA 53 N -0.62 0.00 0.88 3.16 0.00 -0.94 -0.28 120.51 122.72 1o7c n ALA 53 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1o7c n ALA 53 Cb 0.60 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.68 0.44 0.00 0.00 4.76 -1.26 -4.31 118.16 117.11 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 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -0.10 -0.28 3.69 0.72 0.00 -1.02 -5.14 105.19 103.07 1o7c n GLY 55 Ca 0.06 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 4.27 -0.15 1.61 0.52 0.62 -4.33 118.95 121.49 1o7c s ARG 56 Ca 0.00 0.46 0.01 0.00 -0.52 0.00 0.00 55.73 55.68 1o7c s ARG 56 Cb 0.00 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.97 1o7c s ARG 56 CO 0.00 -0.00 -0.18 0.54 0.02 0.00 0.00 175.30 175.68 1o7c s VAL 57 N 1.14 2.46 0.20 3.52 0.11 -1.26 -0.53 120.40 126.04 1o7c s VAL 57 Ca 0.26 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 1o7c s VAL 57 Cb -0.15 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 1o7c s VAL 57 CO 0.10 0.53 0.16 0.61 -3.33 0.00 0.00 175.10 173.17 1o7c n GLY 58 N 4.05 3.40 2.69 6.54 0.00 -1.22 -4.04 105.19 116.61 1o7c n GLY 58 Ca -0.19 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.75 1.15 0.00 1.61 2.02 -0.43 -1.61 117.35 117.33 1o7c s TYR 59 Ca 0.22 -1.22 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 1o7c s TYR 59 Cb 0.01 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 1o7c s TYR 59 CO 0.16 -0.77 0.00 -2.30 -1.57 0.00 0.00 175.55 171.07 1o7c n PRO 60 N 5.01 0.00 -1.39 -1.71 -0.02 -1.26 -0.29 135.00 135.34 1o7c n PRO 60 Ca -0.05 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1o7c n PRO 60 Cb 0.44 -0.49 -0.00 0.00 -0.02 0.00 0.00 33.50 33.43 1o7c n PRO 60 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1o7c n ILE 61 N 0.00 -4.78 0.12 4.25 2.08 -1.26 -3.81 119.36 115.95 1o7c n ILE 61 Ca 0.00 0.72 -0.22 0.00 0.56 0.00 0.00 62.75 63.82 1o7c n ILE 61 Cb 0.00 -3.81 -0.15 0.00 -0.75 0.00 0.00 39.64 34.93 1o7c n ILE 61 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1o7c h VAL 62 N 0.98 1.27 -3.51 1.39 2.07 -1.91 -3.38 116.25 113.16 1o7c h VAL 62 Ca -0.02 -2.77 -0.69 0.00 0.82 0.00 0.00 66.70 64.04 1o7c h VAL 62 Cb 0.05 2.96 -0.35 0.00 -1.52 0.00 0.00 31.29 32.42 1o7c h VAL 62 CO 0.00 0.84 -0.51 -0.54 0.02 0.00 0.00 177.57 177.38 1o7c s LYS 63 N -2.61 2.12 0.36 1.57 1.02 -1.26 -4.95 119.74 115.99 1o7c s LYS 63 Ca -0.09 -2.06 -0.28 0.00 0.02 0.00 0.00 55.97 53.56 1o7c s LYS 63 Cb 0.05 -3.59 -0.12 0.00 -0.52 0.00 0.00 37.83 33.65 1o7c s LYS 63 CO 0.91 -1.10 1.41 -2.30 -0.92 0.00 0.00 175.35 173.35 1o7c n PRO 64 N 4.20 2.43 0.00 -1.68 -0.02 -1.26 -4.86 135.00 133.80 1o7c n PRO 64 Ca 0.01 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1o7c n PRO 64 Cb 0.40 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.69 4.31 0.04 -1.23 0.00 -1.26 -4.88 105.19 102.86 1o7c n GLY 65 Ca 0.03 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 1o7c n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o7c h PRO 66 N 0.00 0.00 0.00 1.61 0.13 -1.95 -2.78 132.00 129.01 1o7c h PRO 66 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1o7c h PRO 66 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1o7c h PRO 66 CO 0.00 0.00 -1.84 0.27 -0.23 0.00 0.00 178.00 176.20 1o7c n ASN 67 N -3.61 1.18 0.00 1.44 0.23 -1.26 -3.81 115.26 109.43 1o7c n ASN 67 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1o7c n ASN 67 Cb 0.12 1.54 0.00 0.00 -2.08 0.00 0.00 39.78 39.36 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 0.02 -1.13 2.42 0.00 0.00 -1.26 -4.87 105.19 100.37 1o7c n GLY 69 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.30 -0.73 -1.09 1.61 -0.00 -1.25 -1.07 117.46 113.63 1o7c n PHE 70 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.53 1o7c n PHE 70 Cb 0.21 -3.72 -0.01 0.00 -0.00 0.00 0.00 39.48 35.96 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1o7c n GLY 71 N -0.91 0.49 3.88 7.13 0.00 -1.05 -4.98 105.19 109.74 1o7c n GLY 71 Ca -0.23 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.63 3.61 -0.08 1.61 1.02 -0.24 -5.00 119.74 119.04 1o7c s LYS 72 Ca 0.00 0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.66 1o7c s LYS 72 Cb 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 1o7c s LYS 72 CO 0.00 -0.46 -0.18 0.95 -0.92 0.00 0.00 175.35 174.74 1o7c s THR 73 N -3.03 1.61 0.00 2.17 -4.23 -1.26 -4.52 115.64 106.38 1o7c s THR 73 Ca 0.54 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 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 0.50 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.65 1o7c n GLY 74 N 3.61 -0.78 3.62 3.99 0.00 -1.26 -4.81 105.19 109.55 1o7c n GLY 74 Ca -0.21 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.38 3.56 -0.99 -0.61 1.01 -1.25 -4.58 121.20 116.97 1o7c s ILE 75 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.06 1o7c s ILE 75 Cb 0.00 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.94 1o7c s ILE 75 CO 0.00 -0.34 1.24 -0.63 0.00 0.00 0.00 174.94 175.21 1o7c s ILE 76 N 6.01 4.57 -0.29 2.92 -1.09 0.60 -4.79 121.20 129.13 1o7c s ILE 76 Ca 0.76 -1.52 -0.03 0.00 -2.23 0.00 0.00 60.65 57.63 1o7c s ILE 76 Cb -0.24 -4.86 0.03 0.00 -1.58 0.00 0.00 42.46 35.80 1o7c s ILE 76 CO 0.32 -1.63 0.01 -0.62 -1.23 0.00 0.00 174.94 171.79 1o7c s ASP 77 N 3.86 4.79 0.00 3.58 -1.08 -1.26 -1.32 116.67 125.23 1o7c s ASP 77 Ca 0.37 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.59 1o7c s ASP 77 Cb -0.03 -1.75 1.05 0.00 -1.46 0.00 0.00 42.92 40.72 1o7c s ASP 77 CO -0.08 -0.21 1.65 -1.22 0.52 0.00 0.00 175.17 175.83 1o7c n TYR 78 N 4.72 0.00 -0.25 -5.34 4.02 -1.26 -4.98 117.16 114.07 1o7c n TYR 78 Ca -0.15 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.78 1o7c n TYR 78 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.73 -2.06 3.53 2.72 0.00 -1.26 -4.86 105.19 103.99 1o7c n GLY 79 Ca 0.13 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.80 2.01 -0.68 -0.61 5.41 -1.26 -4.56 119.36 116.87 1o7c n ILE 80 Ca -0.01 -0.50 0.08 0.00 1.00 0.00 0.00 62.75 63.32 1o7c n ILE 80 Cb 0.12 -0.77 0.26 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.60 3.20 -3.22 0.38 5.12 -1.26 -4.95 116.66 116.54 1o7c n ARG 81 Ca 0.11 -2.65 -0.23 0.00 -1.93 0.00 0.00 57.85 53.16 1o7c n ARG 81 Cb 0.35 -1.72 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 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 0.17 -2.02 -2.86 0.55 -0.00 -1.26 -4.89 117.00 106.68 1o7c n LEU 82 Ca 0.20 -0.34 -0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1o7c n LEU 82 Cb 0.78 -2.48 0.01 0.00 -0.00 0.00 0.00 43.42 41.73 1o7c n LEU 82 CO 0.16 0.19 0.31 0.21 -0.00 0.00 0.00 177.39 178.26 1o7c s ASN 83 N -2.71 -0.82 0.00 1.96 3.04 -1.26 -4.99 114.94 110.15 1o7c s ASN 83 Ca 0.36 -0.62 0.16 0.00 0.04 0.00 0.00 52.86 52.80 1o7c s ASN 83 Cb -0.18 1.06 0.96 0.00 -1.54 0.00 0.00 41.25 41.55 1o7c s ASN 83 CO 0.44 -0.07 1.41 0.54 -3.04 0.00 0.00 177.10 176.39 1o7c n ARG 84 N 3.52 0.46 0.00 0.43 3.00 -1.26 -3.01 116.66 119.80 1o7c n ARG 84 Ca 0.10 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 1o7c n ARG 84 Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.57 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 -1.06 0.43 -2.79 0.55 3.41 -1.26 -3.42 113.62 109.49 1o7c n SER 85 Ca 0.11 -1.69 -0.11 0.00 -0.26 0.00 0.00 58.87 56.93 1o7c n SER 85 Cb 0.07 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.20 -1.11 -3.67 4.33 -0.58 -1.17 -5.02 120.64 113.23 1o7c n GLU 86 Ca 0.00 -0.70 -0.25 0.00 -0.42 0.00 0.00 57.16 55.80 1o7c n GLU 86 Cb 0.11 -0.55 -0.17 0.00 -0.57 0.00 0.00 31.44 30.26 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 -3.99 0.23 0.00 3.49 1.04 -1.26 -4.28 118.95 114.19 1o7c s ARG 87 Ca 0.27 -0.02 0.00 0.00 -1.04 0.00 0.00 55.73 54.94 1o7c s ARG 87 Cb -0.02 -1.47 0.00 0.00 -2.04 0.00 0.00 34.95 31.43 1o7c s ARG 87 CO 0.20 -0.53 0.00 0.91 -0.04 0.00 0.00 175.30 175.83 1o7c n TRP 88 N 5.22 0.00 -3.34 5.89 7.02 -1.01 -4.48 117.44 126.75 1o7c n TRP 88 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1o7c n TRP 88 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 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 1.60 -3.70 -0.99 9.92 0.15 -1.29 116.55 122.23 1o7c n ASP 89 Ca 0.00 -0.54 -0.12 0.00 -0.53 0.00 0.00 54.79 53.60 1o7c n ASP 89 Cb 0.00 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 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 -2.00 -0.63 -0.45 2.24 0.00 -0.98 -2.58 121.76 117.35 1o7c s ALA 90 Ca 0.00 1.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1o7c s ALA 90 Cb 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.37 1o7c s ALA 90 CO 0.00 -0.35 0.45 0.71 0.00 0.00 0.00 175.76 176.58 1o7c s TYR 91 N 1.64 3.17 0.43 0.00 2.02 -1.21 -0.70 117.35 122.71 1o7c s TYR 91 Ca -0.06 -0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 55.93 1o7c s TYR 91 Cb -0.11 -3.09 -0.07 0.00 -0.40 0.00 0.00 41.96 38.30 1o7c s TYR 91 CO -0.09 -0.79 0.82 0.00 -1.57 0.00 0.00 175.55 173.91 1o7c s TYR 93 N -2.45 -0.21 0.00 0.00 6.14 0.14 -0.62 117.35 120.36 1o7c s TYR 93 Ca 0.53 0.63 0.00 0.00 0.64 0.00 0.00 57.07 58.87 1o7c s TYR 93 Cb -0.10 -0.17 -0.00 0.00 0.42 0.00 0.00 41.96 42.10 1o7c s TYR 93 CO 0.32 -0.25 -0.02 -0.80 0.64 0.00 0.00 175.55 175.44 1o7c s ASN 94 N 1.97 0.16 0.47 4.32 -0.87 -0.86 -1.08 114.94 119.05 1o7c s ASN 94 Ca -0.01 -0.08 0.26 0.00 -1.57 0.00 0.00 52.86 51.47 1o7c s ASN 94 Cb -0.12 -0.00 1.31 0.00 -0.02 0.00 0.00 41.25 42.42 1o7c s ASN 94 CO -0.06 -0.02 1.81 -0.65 -2.57 0.00 0.00 177.10 175.60 1o7c h PRO 95 N 5.94 0.20 0.00 -0.60 0.11 -1.94 0.26 132.00 135.97 1o7c h PRO 95 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1o7c h PRO 95 Cb 1.21 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1o7c h PRO 95 CO 0.50 0.13 -1.03 1.58 -0.21 0.00 0.00 178.00 178.97 1o7c n HIS 96 N -4.42 0.00 -2.87 0.65 -0.00 -1.26 -3.67 115.22 103.65 1o7c n HIS 96 Ca 0.24 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.77 1o7c n HIS 96 Cb 1.00 -0.02 0.01 0.00 -0.00 0.00 0.00 29.99 30.98 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o7c n ALA 97 N -2.18 -1.91 0.43 1.57 0.00 -1.14 -3.58 120.51 113.70 1o7c n ALA 97 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1o7c n ALA 97 Cb 0.51 -0.87 0.21 0.00 0.00 0.00 0.00 19.45 19.30 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67