#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 4.28 0.28 1.61 0.11 -1.26 -2.54 120.40 122.88 1o7c s VAL 2 Ca 0.00 1.56 -0.20 0.00 -2.93 0.00 0.00 61.98 60.40 1o7c s VAL 2 Cb 0.00 -3.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1o7c s VAL 2 CO 0.00 -0.17 0.82 -0.72 -3.33 0.00 0.00 175.10 171.70 1o7c s TYR 3 N -1.99 -0.06 0.19 1.54 1.13 0.20 -4.94 117.35 113.42 1o7c s TYR 3 Ca 0.59 -0.43 -0.07 0.00 -1.41 0.00 0.00 57.07 55.75 1o7c s TYR 3 Cb -0.13 0.73 -0.06 0.00 -1.10 0.00 0.00 41.96 41.41 1o7c s TYR 3 CO 0.17 -1.22 0.46 -1.58 -2.51 0.00 0.00 175.55 170.87 1o7c s HIS 4 N -3.14 3.45 0.04 -3.49 5.65 -1.26 -0.44 115.29 116.10 1o7c s HIS 4 Ca 0.14 0.70 -0.17 0.00 0.25 0.00 0.00 55.06 55.97 1o7c s HIS 4 Cb -0.04 -2.12 0.03 0.00 -1.18 0.00 0.00 32.58 29.27 1o7c s HIS 4 CO 0.07 0.34 0.38 0.50 -0.65 0.00 0.00 174.74 175.38 1o7c s ARG 5 N -2.81 0.89 0.00 2.88 6.06 0.12 -4.75 118.95 121.35 1o7c s ARG 5 Ca 0.44 -0.41 0.00 0.00 -2.50 0.00 0.00 55.73 53.26 1o7c s ARG 5 Cb -0.12 0.39 0.00 0.00 0.06 0.00 0.00 34.95 35.29 1o7c s ARG 5 CO 0.24 -0.30 0.00 -0.85 -2.50 0.00 0.00 175.30 171.89 1o7c n GLU 6 N 0.52 1.99 -3.31 5.12 0.00 -1.26 -0.94 120.64 122.76 1o7c n GLU 6 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.67 1o7c n GLU 6 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.99 1o7c n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7c s ALA 7 N -2.00 3.55 0.61 -1.84 0.00 -1.08 -4.80 121.76 116.20 1o7c s ALA 7 Ca 0.00 -0.36 0.29 0.00 0.00 0.00 0.00 51.96 51.89 1o7c s ALA 7 Cb 0.00 -2.43 1.52 0.00 0.00 0.00 0.00 23.12 22.21 1o7c s ALA 7 CO 0.00 0.34 1.91 0.00 0.00 0.00 0.00 175.76 178.01 1o7c h ARG 8 N 2.06 0.00 0.02 0.00 2.47 -2.01 -1.85 114.38 115.08 1o7c h ARG 8 Ca -0.47 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 57.92 1o7c h ARG 8 Cb 1.18 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 1o7c h ARG 8 CO 0.67 0.00 -1.80 0.45 0.56 0.00 0.00 179.97 179.85 1o7c n SER 9 N -3.50 1.94 0.00 7.04 2.88 -1.26 -5.09 113.62 115.62 1o7c n SER 9 Ca 0.05 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1o7c n SER 9 Cb 0.57 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o7c n GLY 10 N 1.53 -0.69 3.76 0.46 0.00 -0.69 -5.15 105.19 104.41 1o7c n GLY 10 Ca -0.39 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 3.42 -0.81 1.61 2.20 -1.26 -2.63 119.74 120.26 1o7c s LYS 11 Ca 0.00 1.98 -0.04 0.00 -0.36 0.00 0.00 55.97 57.55 1o7c s LYS 11 Cb 0.00 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1o7c s LYS 11 CO 0.00 -0.89 0.72 0.66 -0.36 0.00 0.00 175.35 175.48 1o7c n TYR 12 N -0.83 -2.09 -1.79 4.03 4.02 -0.54 -4.94 117.16 115.01 1o7c n TYR 12 Ca 0.09 0.74 0.00 0.00 -0.01 0.00 0.00 57.90 58.73 1o7c n TYR 12 Cb 0.47 -3.80 0.00 0.00 -0.02 0.00 0.00 39.34 35.99 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 -2.68 0.00 -4.51 -0.72 5.02 -0.48 -4.43 118.16 110.36 1o7c n LYS 13 Ca -0.05 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 1o7c n LYS 13 Cb 0.58 -0.10 -0.11 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 3.32 0.05 -0.35 1.43 -1.02 -4.82 118.68 117.29 1o7c s LEU 14 Ca 0.00 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1o7c s LEU 14 Cb 0.00 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1o7c s LEU 14 CO 0.00 0.34 0.02 0.42 0.23 0.00 0.00 176.35 177.36 1o7c s THR 15 N -0.68 4.19 0.28 5.49 -4.23 -1.25 -1.59 115.64 117.84 1o7c s THR 15 Ca 0.11 -0.79 0.17 0.00 -1.18 0.00 0.00 61.69 59.99 1o7c s THR 15 Cb -0.11 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.05 1o7c s THR 15 CO 0.02 0.22 1.18 0.00 -0.54 0.00 0.00 174.62 175.50 1o7c n TYR 16 N 0.85 0.84 -0.01 3.99 9.36 -1.14 0.24 117.16 131.28 1o7c n TYR 16 Ca -0.12 0.84 -0.17 0.00 3.32 0.00 0.00 57.90 61.78 1o7c n TYR 16 Cb 0.52 -1.27 -0.09 0.00 -0.63 0.00 0.00 39.34 37.88 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 1.46 0.21 -0.11 2.98 0.00 -1.94 -2.15 119.26 119.72 1o7c h ALA 17 Ca 0.64 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1o7c h ALA 17 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1o7c h ALA 17 CO -0.55 0.52 -0.21 0.93 0.00 0.00 0.00 179.25 179.95 1o7c h GLU 18 N 0.28 0.33 -0.79 0.00 5.08 0.27 -1.58 114.58 118.17 1o7c h GLU 18 Ca -0.06 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1o7c h GLU 18 Cb 1.33 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1o7c h GLU 18 CO 0.14 0.80 0.52 0.00 -1.00 0.00 0.00 179.01 179.47 1o7c h ALA 19 N 0.52 1.64 -0.00 3.43 0.00 0.61 -1.13 119.26 124.33 1o7c h ALA 19 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1o7c h ALA 19 Cb 0.79 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1o7c h ALA 19 CO 0.05 0.23 -0.83 -0.22 0.00 0.00 0.00 179.25 178.48 1o7c h LYS 20 N 0.85 0.16 -0.23 0.00 3.64 -1.33 -2.72 116.57 116.94 1o7c h LYS 20 Ca 0.34 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1o7c h LYS 20 Cb 0.25 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1o7c h LYS 20 CO -0.12 0.90 -0.06 0.00 -2.27 0.00 0.00 179.45 177.90 1o7c h ALA 21 N 1.04 0.32 0.02 5.00 0.00 -0.20 0.14 119.26 125.58 1o7c h ALA 21 Ca -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1o7c h ALA 21 Cb 1.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1o7c h ALA 21 CO 0.12 0.12 -0.01 0.28 0.00 0.00 0.00 179.25 179.76 1o7c h VAL 22 N 0.19 1.23 -0.35 0.00 2.07 -1.34 0.43 116.25 118.49 1o7c h VAL 22 Ca 0.06 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1o7c h VAL 22 Cb 0.52 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1o7c h VAL 22 CO 0.02 0.20 0.09 0.00 0.02 0.00 0.00 177.57 177.91 1o7c n GLU 24 N -4.63 0.28 0.06 0.00 2.13 0.49 -2.14 120.64 116.84 1o7c n GLU 24 Ca -0.01 0.02 -0.12 0.00 0.66 0.00 0.00 57.16 57.71 1o7c n GLU 24 Cb 0.19 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.34 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 0.00 -0.12 -2.06 4.31 3.57 0.54 -3.10 116.94 120.08 1o7c h PHE 25 Ca 0.00 0.00 -0.79 0.00 3.53 0.00 0.00 57.97 60.71 1o7c h PHE 25 Cb 0.32 0.05 -0.25 0.00 2.79 0.00 0.00 35.95 38.86 1o7c h PHE 25 CO 0.00 -0.08 1.21 0.39 -2.23 0.00 0.00 178.31 177.60 1o7c n GLU 26 N -5.16 5.02 -3.15 1.11 1.02 -1.24 -4.78 120.64 113.47 1o7c n GLU 26 Ca -0.07 -4.35 -0.20 0.00 -0.02 0.00 0.00 57.16 52.53 1o7c n GLU 26 Cb 0.09 -2.46 -0.01 0.00 -0.02 0.00 0.00 31.44 29.04 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 0.14 -0.49 0.94 0.62 0.00 -1.17 -4.93 105.19 100.30 1o7c n GLY 27 Ca 0.50 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.03 3.35 3.27 -0.02 0.00 -0.91 -4.85 105.19 105.01 1o7c n GLY 28 Ca -0.03 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 1o7c n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1o7c s HIS 29 N -0.95 -0.53 0.03 1.61 0.09 -0.27 -3.42 115.29 111.86 1o7c s HIS 29 Ca 0.05 1.18 -0.30 0.00 -0.00 0.00 0.00 55.06 55.99 1o7c s HIS 29 Cb -0.00 0.21 -0.07 0.00 -0.00 0.00 0.00 32.58 32.72 1o7c s HIS 29 CO 0.03 -0.28 1.57 -0.48 -0.00 0.00 0.00 174.74 175.57 1o7c s LEU 30 N 0.90 4.34 1.04 0.89 0.05 -1.25 -0.22 118.68 124.43 1o7c s LEU 30 Ca -0.06 2.32 -0.16 0.00 0.05 0.00 0.00 54.13 56.29 1o7c s LEU 30 Cb -0.06 -3.56 0.08 0.00 -2.05 0.00 0.00 46.19 40.60 1o7c s LEU 30 CO -0.07 -0.84 0.21 0.00 -0.55 0.00 0.00 176.35 175.11 1o7c n ALA 31 N 5.75 -3.42 -2.79 1.48 0.00 0.46 -4.36 120.51 117.64 1o7c n ALA 31 Ca 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1o7c n ALA 31 Cb 0.42 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -4.06 0.00 0.00 0.00 -2.24 -1.26 -3.70 114.28 103.02 1o7c n THR 32 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1o7c n THR 32 Cb 0.58 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.00 0.00 -0.35 4.78 9.36 -1.26 -2.12 117.16 127.58 1o7c n TYR 33 Ca 0.00 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.46 1o7c n TYR 33 Cb 0.00 -0.41 0.50 0.00 -0.63 0.00 0.00 39.34 38.80 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 0.36 0.32 2.98 1.57 -1.99 0.21 116.57 120.03 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 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1o7c h LYS 34 CO 0.00 0.24 -0.16 1.96 -0.57 0.00 0.00 179.45 180.92 1o7c h GLN 35 N 0.37 -0.42 -0.04 3.15 4.20 -1.98 -2.27 115.11 118.13 1o7c h GLN 35 Ca 0.65 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.40 1o7c h GLN 35 Cb 1.63 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.51 1o7c h GLN 35 CO -0.38 -0.10 0.16 1.25 -0.67 0.00 0.00 178.83 179.09 1o7c h LEU 36 N -0.79 0.00 0.41 1.46 7.12 -0.49 -2.00 115.31 121.01 1o7c h LEU 36 Ca -0.04 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1o7c h LEU 36 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1o7c h LEU 36 CO 0.07 0.00 -0.20 -0.08 -0.13 0.00 0.00 178.44 178.10 1o7c h GLU 37 N 0.00 -0.53 0.00 1.25 4.57 -0.26 0.38 114.58 119.98 1o7c h GLU 37 Ca 0.02 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1o7c h GLU 37 Cb 0.34 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1o7c h GLU 37 CO -0.00 -0.36 0.22 0.00 -1.18 0.00 0.00 179.01 177.69 1o7c h ALA 38 N -1.35 1.22 0.00 2.92 0.00 -0.84 0.55 119.26 121.76 1o7c h ALA 38 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1o7c h ALA 38 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1o7c h ALA 38 CO 0.09 -0.22 -1.73 0.00 0.00 0.00 0.00 179.25 177.40 1o7c n ALA 39 N -1.94 1.59 0.04 0.00 0.00 -0.81 -3.75 120.51 115.63 1o7c n ALA 39 Ca -0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.58 1o7c n ALA 39 Cb 0.28 -0.80 0.12 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 0.40 0.00 0.00 2.43 0.44 -0.75 114.38 116.90 1o7c h ARG 40 Ca -0.29 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1o7c h ARG 40 Cb 1.95 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1o7c h ARG 40 CO 0.07 0.81 0.00 0.87 -1.51 0.00 0.00 179.97 180.21 1o7c h LYS 41 N 0.31 0.00 -0.00 0.20 1.57 -1.09 -2.60 116.57 114.95 1o7c h LYS 41 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1o7c h LYS 41 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1o7c h LYS 41 CO 0.09 0.00 -0.29 0.44 -0.57 0.00 0.00 179.45 179.12 1o7c n ILE 42 N -2.69 0.00 0.00 1.86 -5.35 -1.01 -4.87 119.36 107.29 1o7c n ILE 42 Ca 0.02 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1o7c n ILE 42 Cb 0.34 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 1.39 0.98 3.64 3.28 0.00 -0.99 -5.10 105.19 108.40 1o7c n GLY 43 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.73 2.80 -0.03 1.61 5.36 -0.32 -4.99 117.98 120.69 1o7c s PHE 44 Ca 0.00 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 1o7c s PHE 44 Cb 0.00 -3.70 0.03 0.00 -0.34 0.00 0.00 43.02 39.01 1o7c s PHE 44 CO 0.00 -1.60 0.05 -1.58 -1.46 0.00 0.00 175.22 170.63 1o7c s HIS 45 N 3.93 0.03 -0.28 10.12 5.65 -1.26 -4.23 115.29 129.26 1o7c s HIS 45 Ca 0.54 0.20 0.02 0.00 0.25 0.00 0.00 55.06 56.07 1o7c s HIS 45 Cb -0.18 -0.33 0.16 0.00 -1.18 0.00 0.00 32.58 31.05 1o7c s HIS 45 CO 0.18 -0.14 0.43 0.14 -0.65 0.00 0.00 174.74 174.71 1o7c s VAL 46 N 1.54 -0.69 -1.05 0.89 -7.23 -1.21 -5.04 120.40 107.61 1o7c s VAL 46 Ca -0.03 -0.22 -0.23 0.00 -1.81 0.00 0.00 61.98 59.69 1o7c s VAL 46 Cb -0.13 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 1o7c s VAL 46 CO -0.03 -0.22 1.86 0.00 -0.31 0.00 0.00 175.10 176.40 1o7c s ALA 48 N 9.17 -3.47 -0.57 0.00 0.00 -1.26 -5.01 121.76 120.62 1o7c s ALA 48 Ca 0.65 1.59 -0.40 0.00 0.00 0.00 0.00 51.96 53.80 1o7c s ALA 48 Cb -0.03 -2.41 -0.19 0.00 0.00 0.00 0.00 23.12 20.49 1o7c s ALA 48 CO 0.04 -1.21 2.16 0.00 0.00 0.00 0.00 175.76 176.74 1o7c n ALA 49 N 5.02 0.22 -3.12 0.00 0.00 -1.25 -4.71 120.51 116.66 1o7c n ALA 49 Ca -0.08 0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1o7c n ALA 49 Cb 0.55 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.84 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 6.30 1.73 1.13 0.00 0.00 0.14 0.07 107.32 116.70 1o7c s GLY 50 Ca 1.18 -1.06 -0.18 0.00 0.00 0.00 0.00 44.72 44.66 1o7c s GLY 50 CO 0.60 0.37 0.14 0.79 0.00 0.00 0.00 173.10 175.00 1o7c n TRP 51 N 4.55 -1.65 -3.55 1.90 7.02 -1.07 -2.79 117.44 121.85 1o7c n TRP 51 Ca -0.17 0.05 -0.08 0.00 -1.02 0.00 0.00 57.50 56.28 1o7c n TRP 51 Cb 0.52 -1.53 -0.02 0.00 -2.42 0.00 0.00 31.31 27.86 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 -3.58 0.93 0.97 -0.99 0.23 0.32 -4.41 119.30 112.78 1o7c s MET 52 Ca 0.55 -0.39 -0.15 0.00 -1.03 0.00 0.00 55.69 54.67 1o7c s MET 52 Cb -0.12 0.40 -0.07 0.00 -1.53 0.00 0.00 34.83 33.51 1o7c s MET 52 CO 0.61 -0.41 -0.30 0.00 -2.03 0.00 0.00 175.02 172.89 1o7c n ALA 53 N -0.30 -4.28 0.00 3.16 0.00 -1.24 -1.95 120.51 115.90 1o7c n ALA 53 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1o7c n ALA 53 Cb 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.75 0.00 0.00 0.00 5.02 -1.26 -2.97 118.16 119.70 1o7c n LYS 54 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1o7c n LYS 54 Cb 0.55 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 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 -0.96 1.62 3.97 0.72 0.00 -0.82 -4.96 105.19 104.76 1o7c n GLY 55 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.97 -0.30 1.61 0.52 -0.86 -4.32 118.95 118.42 1o7c s ARG 56 Ca 0.00 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.50 1o7c s ARG 56 Cb 0.00 -2.61 0.19 0.00 0.52 0.00 0.00 34.95 33.05 1o7c s ARG 56 CO 0.00 -0.28 0.70 0.54 0.02 0.00 0.00 175.30 176.28 1o7c s VAL 57 N -2.50 -0.84 0.05 3.52 0.11 -1.26 0.12 120.40 119.59 1o7c s VAL 57 Ca 0.49 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1o7c s VAL 57 Cb -0.10 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1o7c s VAL 57 CO 0.36 0.00 0.01 0.61 -3.33 0.00 0.00 175.10 172.76 1o7c n GLY 58 N 5.43 3.76 2.82 6.54 0.00 -1.12 -4.45 105.19 118.16 1o7c n GLY 58 Ca -0.01 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.89 2.99 0.04 1.61 2.02 -0.67 0.29 117.35 122.74 1o7c s TYR 59 Ca 0.01 -3.08 -0.30 0.00 -0.37 0.00 0.00 57.07 53.33 1o7c s TYR 59 Cb -0.00 -2.38 -0.09 0.00 -0.40 0.00 0.00 41.96 39.08 1o7c s TYR 59 CO 0.01 -0.64 1.98 -2.30 -1.57 0.00 0.00 175.55 173.03 1o7c n PRO 60 N 2.43 2.87 -3.88 -1.71 -0.02 -1.26 -2.53 135.00 130.91 1o7c n PRO 60 Ca 0.18 1.05 -0.15 0.00 -2.02 0.00 0.00 63.50 62.56 1o7c n PRO 60 Cb 0.36 -3.01 -0.16 0.00 -0.02 0.00 0.00 33.50 30.68 1o7c n PRO 60 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1o7c s ILE 61 N 4.48 0.07 -0.09 4.25 -1.09 -1.19 -3.29 121.20 124.34 1o7c s ILE 61 Ca 0.89 0.10 0.09 0.00 -2.23 0.00 0.00 60.65 59.50 1o7c s ILE 61 Cb -0.44 -0.16 -0.13 0.00 -1.58 0.00 0.00 42.46 40.16 1o7c s ILE 61 CO 0.42 0.09 0.05 0.52 -1.23 0.00 0.00 174.94 174.80 1o7c n VAL 62 N 3.87 0.62 -3.82 2.92 0.31 -1.26 -2.26 118.33 118.70 1o7c n VAL 62 Ca -0.24 -0.41 -0.29 0.00 -0.01 0.00 0.00 64.34 63.40 1o7c n VAL 62 Cb 0.53 -0.64 -0.12 0.00 -0.91 0.00 0.00 33.84 32.69 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 -2.29 2.00 0.32 5.55 2.20 -1.26 -4.92 119.74 121.34 1o7c s LYS 63 Ca -0.05 -2.85 -0.29 0.00 -0.36 0.00 0.00 55.97 52.42 1o7c s LYS 63 Cb 0.03 -3.01 -0.11 0.00 -1.51 0.00 0.00 37.83 33.24 1o7c s LYS 63 CO 0.42 -1.24 1.48 -1.25 -0.36 0.00 0.00 175.35 174.39 1o7c s PRO 64 N -0.76 4.19 0.00 4.03 0.04 -1.26 -4.73 135.00 136.50 1o7c s PRO 64 Ca 0.23 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1o7c s PRO 64 Cb -0.11 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1o7c s PRO 64 CO -0.11 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1o7c n GLY 65 N 1.38 4.61 0.00 0.56 0.00 -1.26 -4.72 105.19 105.77 1o7c n GLY 65 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.02 1.61 -0.04 -1.26 -3.27 135.00 132.02 1o7c n PRO 66 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1o7c n PRO 66 Cb 0.00 -0.80 -0.09 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 -0.49 2.31 -2.02 3.54 6.94 -1.26 -3.58 115.26 120.70 1o7c n ASN 67 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 1o7c n ASN 67 Cb 0.00 1.27 -0.04 0.00 -2.36 0.00 0.00 39.78 38.65 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 1.15 0.77 2.41 0.00 0.00 -1.26 -4.05 105.19 104.21 1o7c n GLY 69 Ca 0.33 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -1.03 -1.84 1.61 3.72 -1.20 -0.94 117.46 117.78 1o7c n PHE 70 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1o7c n PHE 70 Cb 0.00 -3.82 -0.03 0.00 -0.94 0.00 0.00 39.48 34.69 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 -0.98 0.61 3.89 1.37 0.00 -1.24 -4.97 105.19 103.87 1o7c n GLY 71 Ca -0.24 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.95 3.72 -0.09 1.61 1.02 -0.11 -5.01 119.74 116.93 1o7c s LYS 72 Ca 0.00 0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.20 1o7c s LYS 72 Cb 0.00 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1o7c s LYS 72 CO 0.00 0.24 -0.22 0.95 -0.92 0.00 0.00 175.35 175.40 1o7c s THR 73 N -1.98 1.93 0.06 2.17 -4.23 -1.26 -4.27 115.64 108.05 1o7c s THR 73 Ca 0.46 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1o7c s THR 73 Cb -0.11 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1o7c s THR 73 CO 0.26 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 1o7c n GLY 74 N 3.51 -1.91 3.64 3.99 0.00 -0.96 -4.70 105.19 108.76 1o7c n GLY 74 Ca -0.19 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.74 4.04 -1.19 -0.61 1.01 -1.26 -3.17 121.20 119.29 1o7c s ILE 75 Ca 0.00 1.22 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 1o7c s ILE 75 Cb 0.00 -3.93 0.16 0.00 0.01 0.00 0.00 42.46 38.70 1o7c s ILE 75 CO 0.00 -0.26 1.42 -0.63 0.00 0.00 0.00 174.94 175.47 1o7c s ILE 76 N 4.17 4.94 -0.11 2.92 -1.09 -1.05 -4.80 121.20 126.18 1o7c s ILE 76 Ca 0.61 -2.48 -0.01 0.00 -2.23 0.00 0.00 60.65 56.54 1o7c s ILE 76 Cb -0.22 -4.92 -0.03 0.00 -1.58 0.00 0.00 42.46 35.71 1o7c s ILE 76 CO 0.22 -1.64 -0.06 -0.62 -1.23 0.00 0.00 174.94 171.61 1o7c s ASP 77 N 3.01 4.67 -0.32 3.58 2.15 -1.26 -1.66 116.67 126.83 1o7c s ASP 77 Ca 0.42 -0.09 0.10 0.00 0.43 0.00 0.00 52.55 53.42 1o7c s ASP 77 Cb -0.03 -1.46 0.67 0.00 -0.30 0.00 0.00 42.92 41.81 1o7c s ASP 77 CO -0.00 0.27 1.72 -1.22 -0.17 0.00 0.00 175.17 175.77 1o7c n TYR 78 N 2.84 2.13 -1.37 -5.34 4.02 -1.26 -4.99 117.16 113.20 1o7c n TYR 78 Ca -0.18 -1.31 0.09 0.00 -0.01 0.00 0.00 57.90 56.49 1o7c n TYR 78 Cb 0.53 -0.64 -0.02 0.00 -0.02 0.00 0.00 39.34 39.18 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 -0.49 -1.98 3.66 2.72 0.00 -1.26 -4.69 105.19 103.15 1o7c n GLY 79 Ca 0.40 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1o7c n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7c s ILE 80 N -1.42 3.15 -2.00 -0.61 1.01 -1.26 -4.44 121.20 115.63 1o7c s ILE 80 Ca 0.00 0.19 0.09 0.00 0.00 0.00 0.00 60.65 60.92 1o7c s ILE 80 Cb 0.00 -3.12 0.25 0.00 0.01 0.00 0.00 42.46 39.60 1o7c s ILE 80 CO 0.00 -0.02 1.24 0.54 0.00 0.00 0.00 174.94 176.70 1o7c n ARG 81 N 7.47 0.89 -2.80 2.79 5.12 -1.26 -4.84 116.66 124.02 1o7c n ARG 81 Ca 0.19 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.90 1o7c n ARG 81 Cb 0.42 -1.15 0.01 0.00 -1.16 0.00 0.00 32.46 30.58 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 -0.65 -2.25 -2.79 0.55 -0.00 -1.26 -4.91 117.00 105.68 1o7c n LEU 82 Ca 0.07 -0.17 -0.06 0.00 -0.00 0.00 0.00 56.01 55.84 1o7c n LEU 82 Cb 0.03 -2.85 0.01 0.00 -0.00 0.00 0.00 43.42 40.61 1o7c n LEU 82 CO 0.05 0.05 0.11 -3.20 -0.00 0.00 0.00 177.39 174.40 1o7c n ASN 83 N -2.29 -3.19 0.00 1.96 4.05 -1.26 -4.98 115.26 109.55 1o7c n ASN 83 Ca -0.15 -2.96 0.02 0.00 0.45 0.00 0.00 54.58 51.94 1o7c n ASN 83 Cb 0.64 1.64 0.10 0.00 1.23 0.00 0.00 39.78 43.38 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1o7c n ARG 84 N 2.69 0.02 -0.07 1.20 1.74 -1.26 -1.95 116.66 119.03 1o7c n ARG 84 Ca 0.17 0.37 0.01 0.00 -0.77 0.00 0.00 57.85 57.63 1o7c n ARG 84 Cb 0.57 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.54 1o7c n ARG 84 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1o7c n SER 85 N -1.43 1.18 -3.20 0.55 7.64 -1.26 -2.87 113.62 114.23 1o7c n SER 85 Ca 0.01 -2.06 -0.19 0.00 1.01 0.00 0.00 58.87 57.64 1o7c n SER 85 Cb 0.04 -0.42 0.13 0.00 -1.01 0.00 0.00 64.21 62.96 1o7c n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1o7c n GLU 86 N -0.02 -0.91 -3.76 1.43 -0.58 -0.82 -4.99 120.64 110.98 1o7c n GLU 86 Ca 0.02 -1.29 -0.25 0.00 -0.42 0.00 0.00 57.16 55.22 1o7c n GLU 86 Cb 0.27 -0.88 -0.17 0.00 -0.57 0.00 0.00 31.44 30.09 1o7c n GLU 86 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1o7c s ARG 87 N -4.83 0.67 0.00 3.49 0.52 -1.26 -3.95 118.95 113.59 1o7c s ARG 87 Ca 0.48 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1o7c s ARG 87 Cb -0.01 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 33.97 1o7c s ARG 87 CO 0.34 -0.44 0.00 0.91 0.02 0.00 0.00 175.30 176.12 1o7c n TRP 88 N 5.10 0.00 -4.04 -0.53 7.02 -0.62 -4.47 117.44 119.90 1o7c n TRP 88 Ca -0.08 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.34 1o7c n TRP 88 Cb 0.49 0.00 -0.01 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 2.10 -3.73 -0.99 9.92 0.11 -1.38 116.55 122.57 1o7c n ASP 89 Ca 0.00 -1.41 -0.13 0.00 -0.53 0.00 0.00 54.79 52.72 1o7c n ASP 89 Cb 0.00 0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 40.40 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 -2.16 -0.49 -0.42 2.24 0.00 -0.11 -2.60 121.76 118.21 1o7c s ALA 90 Ca 0.01 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 1o7c s ALA 90 Cb -0.00 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1o7c s ALA 90 CO 0.01 -0.19 0.39 0.71 0.00 0.00 0.00 175.76 176.68 1o7c s TYR 91 N 1.22 3.20 -0.03 0.00 2.02 -1.26 0.15 117.35 122.65 1o7c s TYR 91 Ca -0.09 -0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 55.88 1o7c s TYR 91 Cb -0.11 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 1o7c s TYR 91 CO -0.08 -0.67 0.69 0.00 -1.57 0.00 0.00 175.55 173.92 1o7c s TYR 93 N 0.45 1.45 0.13 0.00 6.14 0.69 0.63 117.35 126.84 1o7c s TYR 93 Ca 0.36 -0.97 0.04 0.00 0.64 0.00 0.00 57.07 57.15 1o7c s TYR 93 Cb -0.18 -1.20 -0.04 0.00 0.42 0.00 0.00 41.96 40.96 1o7c s TYR 93 CO 0.19 -0.59 -0.10 -0.80 0.64 0.00 0.00 175.55 174.88 1o7c s ASN 94 N 1.71 1.73 0.13 4.32 -0.87 -1.05 -1.11 114.94 119.80 1o7c s ASN 94 Ca 0.00 -0.96 -0.22 0.00 -1.57 0.00 0.00 52.86 50.12 1o7c s ASN 94 Cb -0.16 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.25 41.05 1o7c s ASN 94 CO -0.07 -0.31 1.68 1.55 -2.57 0.00 0.00 177.10 177.37 1o7c h PRO 95 N 2.98 -0.14 0.00 -0.60 0.13 -1.88 -3.22 132.00 129.27 1o7c h PRO 95 Ca -0.37 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.55 1o7c h PRO 95 Cb 1.19 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1o7c h PRO 95 CO 0.61 -0.09 -2.01 1.58 -0.23 0.00 0.00 178.00 177.86 1o7c n HIS 96 N -5.28 0.00 -2.90 1.56 -0.00 -1.26 -4.25 115.22 103.09 1o7c n HIS 96 Ca -0.03 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.05 1o7c n HIS 96 Cb 0.19 -0.69 0.00 0.00 -0.12 0.00 0.00 29.99 29.38 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7c n ALA 97 N -2.47 -1.67 1.26 1.57 0.00 -1.23 -4.18 120.51 113.79 1o7c n ALA 97 Ca -0.20 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.28 1o7c n ALA 97 Cb 0.88 -0.31 0.32 0.00 0.00 0.00 0.00 19.45 20.34 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67